*HEADER    SIGNALING PROTEIN                       28-APR-05   1X32              
*TITLE     THREE DIMENSIONAL SOLUTION STRUCTURE OF THE CHROMO1 DOMAIN            
*TITLE    2 OF CPSRP43                                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CHLOROPLAST SIGNAL RECOGNITION PARTICLE                    
*COMPND   3 COMPONENT;                                                           
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: CHROMO DOMAIN 1;                                           
*COMPND   6 SYNONYM: CPSRP43, CAO;                                               
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;                           
*SOURCE   3 ORGANISM_COMMON: THALE CRESS;                                        
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    SIGNAL RECOGNITION PARTICLE, CPSRP43, CHROMO DOMAIN 1, LHCP,          
*KEYWDS   2 THYLAKOID                                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    V.SIVARAJA, T.K.KUMAR, R.HENRY, C.YU                                  
*REVDAT   1   28-APR-06 1X32    0                                                


 ASSI {   36}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.400     0.700     0.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.74400E-02 ppm1      7.798 ppm2      3.716 CV     1
 ASSI {   84}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.400     1.400 peak    84 spectrum    1 weight  0.10000E+01 volume  0.32060E-02 ppm1      8.109 ppm2      4.349 CV     1
 ASSI {   86}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.400     1.500     1.500 peak    86 spectrum    1 weight  0.10000E+01 volume  0.74608E-03 ppm1      8.109 ppm2      7.583 CV     1
 ASSI {   89}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HB% )
      2.300     0.700     0.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.61404E-02 ppm1      8.109 ppm2      1.021 CV     1
 ASSI {   94}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.100     1.100 peak    94 spectrum    1 weight  0.10000E+01 volume  0.16742E-02 ppm1      8.109 ppm2      8.544 CV     1
 ASSI {   95}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.200     0.600     0.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.26331E-02 ppm1      8.109 ppm2      8.403 CV     1
 ASSI {  109}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      3.100     1.200     1.200 peak   109 spectrum    1 weight  0.10000E+01 volume  0.15033E-02 ppm1      7.305 ppm2      4.091 CV     1
 ASSI {  115}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      3.600     1.700     1.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.12530E-02 ppm1      7.305 ppm2      3.763 CV     1
 ASSI {  116}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.700     1.700     1.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.21217E-02 ppm1      7.305 ppm2      8.849 CV     1
 ASSI {  122}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.200     0.600     0.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.46481E-02 ppm1      8.332 ppm2      7.583 CV     1
 ASSI {  124}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.700     2.700     1.300 peak   124 spectrum    1 weight  0.10000E+01 volume  0.11005E-02 ppm1      8.332 ppm2      1.232 CV     1
 ASSI {  128}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA1 ))
      2.400     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.73782E-02 ppm1      8.332 ppm2      3.575 CV     1
 ASSI {  130}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA2 ))
      2.500     0.800     0.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.10590E-01 ppm1      8.332 ppm2      3.974 CV     1
 ASSI {  132}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.000     1.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.17986E-02 ppm1      8.332 ppm2      8.544 CV     1
 ASSI {  160}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA2 ))
      2.900     1.100     1.100 peak   160 spectrum    1 weight  0.10000E+01 volume  0.33488E-02 ppm1      8.579 ppm2      3.857 CV     1
 ASSI {  167}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.300     2.300     1.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.11015E-02 ppm1      8.579 ppm2      8.263 CV     1
 ASSI {  230}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      2.600     0.900     0.900 peak   230 spectrum    1 weight  0.10000E+01 volume  0.37833E-02 ppm1      8.573 ppm2      3.763 CV     1
 ASSI {  232}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      3.300     1.400     1.400 peak   232 spectrum    1 weight  0.10000E+01 volume  0.39372E-02 ppm1      8.573 ppm2      4.114 CV     1
 ASSI {  233}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 21   and name HE% )
      4.400     2.400     1.600 peak   233 spectrum    1 weight  0.10000E+01 volume  0.76424E-03 ppm1      8.579 ppm2      6.693 CV     1
 ASSI {  258}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.600     1.600 peak   258 spectrum    1 weight  0.10000E+01 volume  0.92134E-03 ppm1      8.232 ppm2      8.872 CV     1
 ASSI {  260}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      4.500     2.500     1.500 peak   260 spectrum    1 weight  0.10000E+01 volume  0.17140E-02 ppm1      8.232 ppm2      4.888 CV     1
 ASSI {  265}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.600     0.900     0.900 peak   265 spectrum    1 weight  0.10000E+01 volume  0.40779E-02 ppm1      7.986 ppm2      3.833 CV     1
 ASSI {  269}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak   269 spectrum    1 weight  0.10000E+01 volume  0.19317E-02 ppm1      7.986 ppm2      8.286 CV     1
 ASSI {  279}
   (( segid "    " and resid 6    and name HD22))
   (( segid "    " and resid 6    and name HB2 ))
      4.500     2.500     1.500 peak   279 spectrum    1 weight  0.10000E+01 volume  0.95952E-03 ppm1      7.845 ppm2      2.193 CV     1
 ASSI {  283}
   (( segid "    " and resid 6    and name HD22))
   (( segid "    " and resid 6    and name HD21))
      2.100     0.500     0.500 peak   283 spectrum    1 weight  0.10000E+01 volume  0.44752E-02 ppm1      7.845 ppm2      7.068 CV     1
 ASSI {  302}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 21   and name HD% )
      3.900     1.900     1.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.79909E-03 ppm1      7.710 ppm2      6.974 CV     1
 ASSI {  305}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.700     1.700     1.700 peak   305 spectrum    1 weight  0.10000E+01 volume  0.18769E-02 ppm1      7.710 ppm2      8.122 CV     1
 ASSI {  312}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 38   and name HE% )
      3.800     1.800     1.800 peak   312 spectrum    1 weight  0.10000E+01 volume  0.15846E-02 ppm1      7.710 ppm2      6.763 CV     1
 ASSI {  315}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      2.700     2.700     3.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.10336E-02 ppm1      7.710 ppm2      0.880 CV     1
 ASSI {  316}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 25   and name HE1 ))
      3.500     1.500     1.500 peak   316 spectrum    1 weight  0.10000E+01 volume  0.22292E-02 ppm1      7.710 ppm2      9.646 CV     1
 ASSI {  333}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 25   and name HH2 ))
      4.600     2.600     1.400 peak   333 spectrum    1 weight  0.10000E+01 volume  0.73613E-03 ppm1      8.309 ppm2      6.880 CV     1
 ASSI {  334}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.300     2.300     3.700 peak   334 spectrum    1 weight  0.10000E+01 volume  0.32285E-02 ppm1      8.309 ppm2      3.669 CV     1
 ASSI {  336}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      5.100     3.200     0.900 peak   336 spectrum    1 weight  0.10000E+01 volume  0.80822E-03 ppm1      7.558 ppm2      1.419 CV     1
 ASSI {  384}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.300     1.300 peak   384 spectrum    1 weight  0.10000E+01 volume  0.10893E-02 ppm1      8.168 ppm2      7.677 CV     1
 ASSI {  396}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.400     1.500     1.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.95705E-03 ppm1      8.890 ppm2      1.794 CV     1
 ASSI {  400}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.500     2.600     1.500 peak   400 spectrum    1 weight  0.10000E+01 volume  0.82381E-03 ppm1      8.890 ppm2      4.958 CV     1
 ASSI {  403}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      4.100     2.100     1.900 peak   403 spectrum    1 weight  0.10000E+01 volume  0.91286E-03 ppm1      8.890 ppm2      5.193 CV     1
 ASSI {  413}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.300     0.700     0.700 peak   413 spectrum    1 weight  0.10000E+01 volume  0.64921E-02 ppm1      8.473 ppm2      4.443 CV     1
 ASSI {  414}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.200     2.200     1.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.18724E-02 ppm1      8.473 ppm2      2.872 CV     1
 ASSI {  416}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak   416 spectrum    1 weight  0.10000E+01 volume  0.19507E-02 ppm1      8.473 ppm2      3.857 CV     1
 ASSI {  419}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 38   and name HD% )
      4.400     2.500     1.600 peak   419 spectrum    1 weight  0.10000E+01 volume  0.79744E-03 ppm1      8.473 ppm2      6.997 CV     1
 ASSI {  429}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.500     1.600     1.600 peak   429 spectrum    1 weight  0.10000E+01 volume  0.27853E-02 ppm1      8.180 ppm2      8.005 CV     1
 ASSI {  436}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.400     1.500     1.500 peak   436 spectrum    1 weight  0.10000E+01 volume  0.17845E-02 ppm1      8.186 ppm2      1.911 CV     1
 ASSI {  437}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.900     1.100     1.100 peak   437 spectrum    1 weight  0.10000E+01 volume  0.32561E-02 ppm1      8.186 ppm2      3.646 CV     1
 ASSI {  438}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.300     0.700     0.700 peak   438 spectrum    1 weight  0.10000E+01 volume  0.66409E-02 ppm1      8.186 ppm2      3.927 CV     1
 ASSI {  449}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA2 ))
      2.900     1.000     1.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.44521E-02 ppm1      8.285 ppm2      3.857 CV     1
 ASSI {  451}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.900     1.100     1.100 peak   451 spectrum    1 weight  0.10000E+01 volume  0.19762E-02 ppm1      7.921 ppm2      3.716 CV     1
 ASSI {  452}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      4.200     2.200     1.800 peak   452 spectrum    1 weight  0.10000E+01 volume  0.18344E-02 ppm1      7.921 ppm2      2.685 CV     1
 ASSI {  458}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     1.000     1.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.33298E-02 ppm1      7.921 ppm2      4.443 CV     1
 ASSI {  459}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.600     0.800     0.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.45153E-02 ppm1      7.921 ppm2      2.872 CV     1
 ASSI {  470}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 25   and name HZ2 ))
      4.500     2.500     1.500 peak   470 spectrum    1 weight  0.10000E+01 volume  0.74783E-03 ppm1      8.285 ppm2      7.396 CV     1
 ASSI {  486}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      3.600     1.600     1.600 peak   486 spectrum    1 weight  0.10000E+01 volume  0.13496E-02 ppm1      7.699 ppm2      1.935 CV     1
 ASSI {  526}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak   526 spectrum    1 weight  0.10000E+01 volume  0.26414E-02 ppm1      8.461 ppm2      4.958 CV     1
 ASSI {  529}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.000     2.000     2.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.83059E-03 ppm1      8.467 ppm2      7.560 CV     1
 ASSI {  538}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
      3.700     1.700     1.700 peak   538 spectrum    1 weight  0.10000E+01 volume  0.14544E-02 ppm1      8.461 ppm2      2.216 CV     1
 ASSI {  558}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak   558 spectrum    1 weight  0.10000E+01 volume  0.30176E-02 ppm1      8.860 ppm2      4.044 CV     1
 ASSI {  607}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak   607 spectrum    1 weight  0.10000E+01 volume  0.17914E-02 ppm1      8.221 ppm2      4.372 CV     1
 ASSI {  618}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.700     0.900     0.900 peak   618 spectrum    1 weight  0.10000E+01 volume  0.46464E-02 ppm1      8.045 ppm2      3.060 CV     1
 ASSI {  621}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.300     1.300     1.300 peak   621 spectrum    1 weight  0.10000E+01 volume  0.23608E-02 ppm1      8.045 ppm2      7.232 CV     1
 ASSI {  626}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      3.300     1.400     1.400 peak   626 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      8.051 ppm2      1.958 CV     1
 ASSI {  639}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.300     1.300     1.300 peak   639 spectrum    1 weight  0.10000E+01 volume  0.31528E-02 ppm1      8.115 ppm2      7.513 CV     1
 ASSI {  649}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.900     1.900     1.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.12814E-02 ppm1      8.121 ppm2      3.646 CV     1
 ASSI {  676}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.600     1.600     1.600 peak   676 spectrum    1 weight  0.10000E+01 volume  0.10120E-02 ppm1      7.986 ppm2      7.700 CV     1
 ASSI {  681}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.100     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.92785E-02 ppm1      7.599 ppm2      1.255 CV     1
 ASSI {  682}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.500     0.800     0.800 peak   682 spectrum    1 weight  0.10000E+01 volume  0.28368E-02 ppm1      7.593 ppm2      4.443 CV     1
 ASSI {  684}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA1 ))
      3.100     1.200     1.200 peak   684 spectrum    1 weight  0.10000E+01 volume  0.17158E-02 ppm1      7.593 ppm2      3.575 CV     1
 ASSI {  685}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      4.300     2.300     1.700 peak   685 spectrum    1 weight  0.10000E+01 volume  0.12699E-02 ppm1      7.593 ppm2      1.044 CV     1
 ASSI {  687}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.100     1.200     1.200 peak   687 spectrum    1 weight  0.10000E+01 volume  0.25540E-02 ppm1      7.992 ppm2      1.911 CV     1
 ASSI {  711}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.700     1.700     1.700 peak   711 spectrum    1 weight  0.10000E+01 volume  0.85176E-03 ppm1      8.860 ppm2      7.536 CV     1
 ASSI {  717}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.700     1.700     1.700 peak   717 spectrum    1 weight  0.10000E+01 volume  0.93118E-03 ppm1      8.860 ppm2      2.193 CV     1
 ASSI {  726}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.700     1.700     1.700 peak   726 spectrum    1 weight  0.10000E+01 volume  0.99321E-03 ppm1      9.036 ppm2      1.677 CV     1
 ASSI {  751}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.200     1.200     1.200 peak   751 spectrum    1 weight  0.10000E+01 volume  0.13442E-02 ppm1      7.517 ppm2      4.232 CV     1
 ASSI {  756}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.700     0.900     0.900 peak   756 spectrum    1 weight  0.10000E+01 volume  0.32000E-02 ppm1      7.517 ppm2      2.685 CV     1
 ASSI {  791}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      4.100     2.100     1.900 peak   791 spectrum    1 weight  0.10000E+01 volume  0.98905E-03 ppm1      7.916 ppm2      1.279 CV     1
 ASSI {  803}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      3.200     1.300     1.300 peak   803 spectrum    1 weight  0.10000E+01 volume  0.23770E-02 ppm1      8.133 ppm2      0.880 CV     1
 ASSI {  811}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      3.600     3.600     2.400 peak   811 spectrum    1 weight  0.10000E+01 volume  0.20270E-02 ppm1      8.133 ppm2      1.091 CV     1
 ASSI {  818}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.400     1.400 peak   818 spectrum    1 weight  0.10000E+01 volume  0.11914E-02 ppm1      7.699 ppm2      7.278 CV     1
 ASSI {  825}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.500     1.500     1.500 peak   825 spectrum    1 weight  0.10000E+01 volume  0.93928E-03 ppm1      7.699 ppm2      2.286 CV     1
 ASSI {  838}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.700     2.700     1.300 peak   838 spectrum    1 weight  0.10000E+01 volume  0.87435E-03 ppm1      7.699 ppm2      8.872 CV     1
 ASSI {  839}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.800     0.800 peak   839 spectrum    1 weight  0.10000E+01 volume  0.36513E-02 ppm1      7.699 ppm2      5.193 CV     1
 ASSI {  840}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD2%)
      3.400     1.400     1.400 peak   840 spectrum    1 weight  0.10000E+01 volume  0.24368E-02 ppm1      7.699 ppm2      0.435 CV     1
 OR {  840}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {  870}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      1.800     0.400     0.400 peak   870 spectrum    1 weight  0.10000E+01 volume  0.37748E-02 ppm1      8.420 ppm2      4.958 CV     1
 ASSI {  871}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.000     2.000     2.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.15388E-02 ppm1      8.420 ppm2      1.232 CV     1
 ASSI {  879}
   (( segid "    " and resid 25   and name HE1 ))
   (  segid "    " and resid 21   and name HD% )
      3.600     3.600     2.400 peak   879 spectrum    1 weight  0.10000E+01 volume  0.22474E-02 ppm1      9.658 ppm2      6.974 CV     1
 ASSI {  881}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   881 spectrum    1 weight  0.10000E+01 volume  0.25293E-02 ppm1      8.420 ppm2      4.349 CV     1
 ASSI {  887}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HB% )
      2.300     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.76845E-02 ppm1      8.420 ppm2      1.021 CV     1
 ASSI {  888}
   (( segid "    " and resid 25   and name HE1 ))
   (  segid "    " and resid 38   and name HE% )
      3.100     3.100     2.900 peak   888 spectrum    1 weight  0.10000E+01 volume  0.38230E-02 ppm1      9.658 ppm2      6.763 CV     1
 ASSI {  909}
   (( segid "    " and resid 33   and name HE1 ))
   (( segid "    " and resid 11   and name HA  ))
      4.000     2.000     2.000 peak   909 spectrum    1 weight  0.10000E+01 volume  0.15713E-02 ppm1      9.928 ppm2      5.661 CV     1
 ASSI {  912}
   (( segid "    " and resid 33   and name HE1 ))
   (( segid "    " and resid 33   and name HZ2 ))
      2.500     0.800     0.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.61869E-02 ppm1      9.928 ppm2      7.232 CV     1
 ASSI {    6}
   (  segid "    " and resid 38   and name HD% )
   (  segid "    " and resid 38   and name HE% )
      1.900     0.500     0.500 peak     6 spectrum    1 weight  0.10000E+01 volume  0.21160E-01 ppm1      6.971 ppm2      6.782 CV     1
 ASSI {    9}
   (  segid "    " and resid 21   and name HD% )
   (  segid "    " and resid 21   and name HE% )
      2.400     0.700     0.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.63866E-02 ppm1      6.951 ppm2      6.700 CV     1
 ASSI {   14}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.500     0.800     0.800 peak    14 spectrum    1 weight  0.10000E+01 volume  0.13121E-01 ppm1      2.883 ppm2      2.693 CV     1
 ASSI {   23}
   (( segid "    " and resid 15   and name HA2 ))
   (( segid "    " and resid 15   and name HA1 ))
      1.700     0.300     0.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.12400E-01 ppm1      3.860 ppm2      3.691 CV     1
 ASSI {   31}
   (( segid "    " and resid 33   and name HE1 ))
   (( segid "    " and resid 33   and name HD1 ))
      2.400     0.700     0.700 peak    31 spectrum    1 weight  0.10000E+01 volume  0.48653E-02 ppm1      9.925 ppm2      7.124 CV     1
 ASSI {   45}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.400     1.400     1.400 peak    45 spectrum    1 weight  0.10000E+01 volume  0.10659E-02 ppm1      3.860 ppm2      3.760 CV     1
 ASSI {   47}
   (  segid "    " and resid 40   and name HB% )
   (  segid "    " and resid 18   and name HB% )
      2.600     2.600     3.400 peak    47 spectrum    1 weight  0.10000E+01 volume  0.11830E-02 ppm1      1.331 ppm2      1.230 CV     1
 ASSI {   63}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.200     0.600     0.600 peak    63 spectrum    1 weight  0.10000E+01 volume  0.74958E-02 ppm1      8.086 ppm2      3.979 CV     1
 ASSI {   68}
   (( segid "    " and resid 33   and name HZ2 ))
   (( segid "    " and resid 33   and name HH2 ))
      2.700     0.900     0.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.43104E-02 ppm1      7.231 ppm2      6.713 CV     1
 ASSI {   69}
   (  segid "    " and resid 40   and name HB% )
   (  segid "    " and resid 39   and name HG2%)
      3.500     1.500     1.500 peak    69 spectrum    1 weight  0.10000E+01 volume  0.55628E-02 ppm1      1.290 ppm2      0.697 CV     1
 ASSI {   75}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.000     0.500     0.500 peak    75 spectrum    1 weight  0.10000E+01 volume  0.69417E-02 ppm1      8.448 ppm2      4.471 CV     1
 ASSI {   78}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.900     1.000     1.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.47473E-02 ppm1      8.086 ppm2      4.170 CV     1
 ASSI {   80}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.300     1.400     1.400 peak    80 spectrum    1 weight  0.10000E+01 volume  0.45600E-02 ppm1      3.936 ppm2      3.623 CV     1
 ASSI {   84}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      3.100     1.200     1.200 peak    84 spectrum    1 weight  0.10000E+01 volume  0.47406E-02 ppm1      8.086 ppm2      1.257 CV     1
 ASSI {   85}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.500     0.800     0.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.42221E-02 ppm1      7.915 ppm2      4.061 CV     1
 ASSI {   91}
   (  segid "    " and resid 38   and name HD% )
   (  segid "    " and resid 39   and name HG2%)
      3.100     1.200     1.200 peak    91 spectrum    1 weight  0.10000E+01 volume  0.44949E-02 ppm1      6.978 ppm2      0.724 CV     1
 ASSI {  120}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     0.800     0.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.58522E-02 ppm1      7.792 ppm2      4.430 CV     1
 ASSI {  121}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HD2 ))
      2.000     0.500     0.500 peak   121 spectrum    1 weight  0.10000E+01 volume  0.53052E-02 ppm1      3.894 ppm2      3.527 CV     1
 ASSI {  138}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 18   and name HB% )
      2.900     2.900     3.100 peak   138 spectrum    1 weight  0.10000E+01 volume  0.45274E-02 ppm1      4.059 ppm2      1.257 CV     1
 ASSI {  139}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.500     0.800     0.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.48832E-02 ppm1      8.079 ppm2      4.320 CV     1
 ASSI {  143}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 35   and name HG2 ))
      2.200     2.200     3.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.31271E-02 ppm1      1.734 ppm2      1.449 CV     1
 ASSI {  154}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HB% )
      2.900     1.100     1.100 peak   154 spectrum    1 weight  0.10000E+01 volume  0.21907E-02 ppm1      7.915 ppm2      1.312 CV     1
 ASSI {  162}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak   162 spectrum    1 weight  0.10000E+01 volume  0.32818E-02 ppm1      8.250 ppm2      4.389 CV     1
 ASSI {  177}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      1.800     0.400     0.400 peak   177 spectrum    1 weight  0.10000E+01 volume  0.29128E-02 ppm1      8.400 ppm2      4.006 CV     1
 ASSI {  178}
   (( segid "    " and resid 25   and name HE1 ))
   (( segid "    " and resid 25   and name HD1 ))
      2.600     0.900     0.900 peak   178 spectrum    1 weight  0.10000E+01 volume  0.24889E-02 ppm1      9.672 ppm2      6.809 CV     1
 ASSI {  188}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.400     0.700     0.700 peak   188 spectrum    1 weight  0.10000E+01 volume  0.21849E-02 ppm1      7.504 ppm2      4.129 CV     1
 ASSI {  190}
   (( segid "    " and resid 25   and name HZ3 ))
   (  segid "    " and resid 39   and name HG2%)
      3.700     1.700     1.700 peak   190 spectrum    1 weight  0.10000E+01 volume  0.15333E-02 ppm1      6.773 ppm2      0.724 CV     1
 ASSI {  212}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
      4.600     2.600     1.400 peak   212 spectrum    1 weight  0.10000E+01 volume  0.59019E-03 ppm1      4.811 ppm2      4.621 CV     1
 ASSI {  213}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.200     0.600     0.600 peak   213 spectrum    1 weight  0.10000E+01 volume  0.34849E-02 ppm1      7.709 ppm2      4.895 CV     1
 ASSI {  215}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      3.600     3.600     2.400 peak   215 spectrum    1 weight  0.10000E+01 volume  0.15299E-02 ppm1      8.215 ppm2      1.080 CV     1
 ASSI {  220}
   (( segid "    " and resid 25   and name HH2 ))
   (( segid "    " and resid 21   and name HB2 ))
      3.200     1.300     1.300 peak   220 spectrum    1 weight  0.10000E+01 volume  0.38516E-02 ppm1      6.869 ppm2      2.297 CV     1
 ASSI {  221}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HB% )
      4.100     2.100     1.900 peak   221 spectrum    1 weight  0.10000E+01 volume  0.21787E-02 ppm1      8.092 ppm2      1.312 CV     1
 ASSI {  236}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.300     0.700     0.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.37973E-02 ppm1      8.113 ppm2      3.432 CV     1
 ASSI {  245}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.000     1.100     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.22069E-02 ppm1      7.956 ppm2      4.184 CV     1
 ASSI {  247}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
      2.800     1.000     1.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.29779E-02 ppm1      3.901 ppm2      1.900 CV     1
 ASSI {  248}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.900     1.100     1.100 peak   248 spectrum    1 weight  0.10000E+01 volume  0.21280E-02 ppm1      8.154 ppm2      4.416 CV     1
 ASSI {  251}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.500     0.800     0.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.54579E-02 ppm1      3.997 ppm2      1.695 CV     1
 ASSI {  262}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      2.900     1.100     1.100 peak   262 spectrum    1 weight  0.10000E+01 volume  0.28316E-02 ppm1      8.086 ppm2      3.678 CV     1
 ASSI {  266}
   (( segid "    " and resid 7    and name HG2 ))
   (  segid "    " and resid 23   and name HG2%)
      3.900     1.900     1.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.36646E-03 ppm1      1.078 ppm2      0.902 CV     1
 ASSI {  280}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      2.900     1.000     1.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.13101E-02 ppm1      8.092 ppm2      3.869 CV     1
 ASSI {  303}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 31   and name HA  ))
      3.600     1.700     1.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.23113E-02 ppm1      6.800 ppm2      4.881 CV     1
 OR {  303}
   (( segid "    " and resid 25   and name HZ3 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  305}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.900     1.900     1.900 peak   305 spectrum    1 weight  0.10000E+01 volume  0.76430E-03 ppm1      8.154 ppm2      2.502 CV     1
 ASSI {  309}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 39   and name HG2%)
      3.400     1.400     1.400 peak   309 spectrum    1 weight  0.10000E+01 volume  0.16617E-02 ppm1      3.942 ppm2      0.724 CV     1
 ASSI {  324}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 34   and name HB  ))
      3.600     1.600     1.600 peak   324 spectrum    1 weight  0.10000E+01 volume  0.23954E-02 ppm1      6.978 ppm2      1.968 CV     1
 ASSI {  330}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      4.300     2.300     1.700 peak   330 spectrum    1 weight  0.10000E+01 volume  0.13004E-02 ppm1      8.154 ppm2      3.664 CV     1
 ASSI {  331}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 41   and name HB% )
      3.500     1.500     1.500 peak   331 spectrum    1 weight  0.10000E+01 volume  0.11199E-02 ppm1      4.147 ppm2      1.271 CV     1
 ASSI {  348}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.400     1.400     1.400 peak   348 spectrum    1 weight  0.10000E+01 volume  0.12494E-02 ppm1      7.655 ppm2      4.416 CV     1
 ASSI {  370}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.900     2.900     1.100 peak   370 spectrum    1 weight  0.10000E+01 volume  0.20352E-03 ppm1      7.901 ppm2      7.807 CV     1
 ASSI {  389}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      3.500     1.500     1.500 peak   389 spectrum    1 weight  0.10000E+01 volume  0.13818E-02 ppm1      3.642 ppm2      0.560 CV     1
 ASSI {  411}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak   411 spectrum    1 weight  0.10000E+01 volume  0.18914E-02 ppm1      8.879 ppm2      5.647 CV     1
 ASSI {  415}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 14   and name HB% )
      2.500     2.500     3.500 peak   415 spectrum    1 weight  0.10000E+01 volume  0.15598E-02 ppm1      1.631 ppm2      1.025 CV     1
 ASSI {  423}
   (( segid "    " and resid 39   and name HB  ))
   (  segid "    " and resid 18   and name HB% )
      4.500     2.500     1.500 peak   423 spectrum    1 weight  0.10000E+01 volume  0.77146E-03 ppm1      1.857 ppm2      1.230 CV     1
 ASSI {  426}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      3.400     1.400     1.400 peak   426 spectrum    1 weight  0.10000E+01 volume  0.54011E-03 ppm1      4.995 ppm2      4.799 CV     1
 ASSI {  436}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.100     1.100 peak   436 spectrum    1 weight  0.10000E+01 volume  0.21669E-02 ppm1      9.029 ppm2      4.826 CV     1
 ASSI {  439}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.500     2.500     1.500 peak   439 spectrum    1 weight  0.10000E+01 volume  0.42178E-03 ppm1      4.667 ppm2      3.760 CV     1
 ASSI {  441}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak   441 spectrum    1 weight  0.10000E+01 volume  0.20334E-02 ppm1      8.851 ppm2      3.664 CV     1
 ASSI {  450}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      4.000     2.000     2.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.11942E-02 ppm1      8.195 ppm2      1.736 CV     1
 ASSI {  466}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      5.900     4.400     0.100 peak   466 spectrum    1 weight  0.10000E+01 volume  0.21327E-03 ppm1      4.653 ppm2      3.062 CV     1
 ASSI {  470}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 34   and name HB  ))
      5.000     3.200     1.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.46856E-03 ppm1      4.653 ppm2      1.968 CV     1
 ASSI {  471}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak   471 spectrum    1 weight  0.10000E+01 volume  0.93310E-03 ppm1      8.209 ppm2      4.621 CV     1
 ASSI {  478}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 19   and name HG2 ))
      5.200     3.300     0.800 peak   478 spectrum    1 weight  0.10000E+01 volume  0.36633E-03 ppm1      4.653 ppm2      2.228 CV     1
 ASSI {  487}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 40   and name HB% )
      5.200     3.400     0.800 peak   487 spectrum    1 weight  0.10000E+01 volume  0.33501E-03 ppm1      4.667 ppm2      1.298 CV     1
 ASSI {  488}
   (( segid "    " and resid 25   and name HE1 ))
   (  segid "    " and resid 38   and name HD% )
      3.600     1.600     1.600 peak   488 spectrum    1 weight  0.10000E+01 volume  0.98249E-03 ppm1      9.672 ppm2      6.987 CV     1
 ASSI {  495}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.700     1.700     1.700 peak   495 spectrum    1 weight  0.10000E+01 volume  0.19877E-02 ppm1      8.195 ppm2      1.804 CV     1
 ASSI {  505}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      3.800     1.800     1.800 peak   505 spectrum    1 weight  0.10000E+01 volume  0.10113E-02 ppm1      8.544 ppm2      3.883 CV     1
 ASSI {  507}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 39   and name HG2%)
      4.900     3.000     1.100 peak   507 spectrum    1 weight  0.10000E+01 volume  0.47227E-03 ppm1      7.928 ppm2      0.724 CV     1
 ASSI {  518}
   (( segid "    " and resid 33   and name HD1 ))
   (( segid "    " and resid 33   and name HB2 ))
      3.900     1.900     1.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.10513E-02 ppm1      7.108 ppm2      2.707 CV     1
 ASSI {  554}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.000     1.100     1.100 peak   554 spectrum    1 weight  0.10000E+01 volume  0.13458E-02 ppm1      8.393 ppm2      2.721 CV     1
 ASSI {  562}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      4.500     2.600     1.500 peak   562 spectrum    1 weight  0.10000E+01 volume  0.62143E-03 ppm1      5.146 ppm2      4.799 CV     1
 ASSI {  564}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      4.000     2.000     2.000 peak   564 spectrum    1 weight  0.10000E+01 volume  0.11205E-02 ppm1      3.648 ppm2      1.996 CV     1
 ASSI {  565}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.800     2.800     1.200 peak   565 spectrum    1 weight  0.10000E+01 volume  0.11505E-03 ppm1      8.065 ppm2      7.971 CV     1
 ASSI {  594}
   (( segid "    " and resid 25   and name HE1 ))
   (( segid "    " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak   594 spectrum    1 weight  0.10000E+01 volume  0.11121E-02 ppm1      9.679 ppm2      4.881 CV     1
 ASSI {  615}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.100     1.200     1.200 peak   615 spectrum    1 weight  0.10000E+01 volume  0.10849E-02 ppm1      7.265 ppm2      4.061 CV     1
 ASSI {  622}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      5.600     3.900     0.400 peak   622 spectrum    1 weight  0.10000E+01 volume  0.29466E-03 ppm1      4.647 ppm2      2.707 CV     1
 ASSI {  625}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      3.800     1.800     1.800 peak   625 spectrum    1 weight  0.10000E+01 volume  0.84126E-03 ppm1      7.238 ppm2      1.873 CV     1
 ASSI {  640}
   (( segid "    " and resid 25   and name HZ2 ))
   (( segid "    " and resid 33   and name HB2 ))
      5.200     3.300     0.800 peak   640 spectrum    1 weight  0.10000E+01 volume  0.47973E-03 ppm1      7.395 ppm2      2.721 CV     1
 ASSI {  671}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.500     1.500 peak   671 spectrum    1 weight  0.10000E+01 volume  0.98725E-03 ppm1      7.675 ppm2      3.965 CV     1
 ASSI {  689}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 39   and name HG2%)
      5.100     3.300     0.900 peak   689 spectrum    1 weight  0.10000E+01 volume  0.10731E-03 ppm1      1.201 ppm2      0.724 CV     1
 ASSI {  690}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      3.700     1.700     1.700 peak   690 spectrum    1 weight  0.10000E+01 volume  0.44267E-03 ppm1      8.544 ppm2      3.691 CV     1
 ASSI {  715}
   (( segid "    " and resid 25   and name HH2 ))
   (  segid "    " and resid 18   and name HB% )
      5.500     3.700     0.500 peak   715 spectrum    1 weight  0.10000E+01 volume  0.53313E-03 ppm1      6.882 ppm2      1.230 CV     1
 ASSI {  733}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 39   and name HG2%)
      5.300     3.500     0.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.22878E-03 ppm1      1.720 ppm2      0.724 CV     1
 ASSI {  740}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      4.200     2.200     1.800 peak   740 spectrum    1 weight  0.10000E+01 volume  0.77480E-03 ppm1      7.928 ppm2      4.416 CV     1
 ASSI {  782}
   (( segid "    " and resid 17   and name HA1 ))
   (( segid "    " and resid 17   and name HA2 ))
      1.900     0.500     0.500 peak   782 spectrum    1 weight  0.10000E+01 volume  0.71917E-02 ppm1      3.601 ppm2      3.951 CV     1
 ASSI {  783}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 25   and name HZ2 ))
      2.400     2.400     3.600 peak   783 spectrum    1 weight  0.10000E+01 volume  0.65676E-02 ppm1      6.957 ppm2      7.411 CV     1
 ASSI {  805}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 38   and name HB2 ))
      3.300     1.400     1.400 peak   805 spectrum    1 weight  0.10000E+01 volume  0.10970E-02 ppm1      2.917 ppm2      3.049 CV     1
 ASSI {  811}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.500     0.800     0.800 peak   811 spectrum    1 weight  0.10000E+01 volume  0.72070E-02 ppm1      3.812 ppm2      4.170 CV     1
 ASSI {  815}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      2.200     0.600     0.600 peak   815 spectrum    1 weight  0.10000E+01 volume  0.69445E-02 ppm1      3.655 ppm2      4.320 CV     1
 ASSI {  818}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HB  ))
      1.900     0.400     0.400 peak   818 spectrum    1 weight  0.10000E+01 volume  0.50768E-02 ppm1      1.064 ppm2      4.006 CV     1
 ASSI {  823}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      2.000     0.500     0.500 peak   823 spectrum    1 weight  0.10000E+01 volume  0.71966E-02 ppm1      1.249 ppm2      4.457 CV     1
 ASSI {  828}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      2.800     1.000     1.000 peak   828 spectrum    1 weight  0.10000E+01 volume  0.90389E-02 ppm1      0.674 ppm2      4.061 CV     1
 ASSI {  829}
   (  segid "    " and resid 14   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.800     0.800 peak   829 spectrum    1 weight  0.10000E+01 volume  0.52476E-02 ppm1      1.009 ppm2      4.361 CV     1
 ASSI {  844}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.500     0.800     0.800 peak   844 spectrum    1 weight  0.10000E+01 volume  0.61907E-02 ppm1      2.883 ppm2      4.457 CV     1
 ASSI {  853}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 34   and name HB  ))
      2.500     0.800     0.800 peak   853 spectrum    1 weight  0.10000E+01 volume  0.45159E-02 ppm1      0.715 ppm2      1.968 CV     1
 ASSI {  863}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 31   and name HD2 ))
      2.500     0.800     0.800 peak   863 spectrum    1 weight  0.10000E+01 volume  0.54994E-02 ppm1      1.871 ppm2      3.527 CV     1
 ASSI {  877}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.500     2.500     3.500 peak   877 spectrum    1 weight  0.10000E+01 volume  0.16808E-02 ppm1      3.436 ppm2      3.787 CV     1
 ASSI {  883}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 8    and name HB  ))
      4.400     2.400     1.600 peak   883 spectrum    1 weight  0.10000E+01 volume  0.20687E-02 ppm1      1.085 ppm2      1.422 CV     1
 ASSI {  884}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      3.000     3.000     3.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.47731E-02 ppm1      0.551 ppm2      1.996 CV     1
 ASSI {  885}
   (( segid "    " and resid 13   and name HG1 ))
   (  segid "    " and resid 18   and name HB% )
      3.200     1.300     1.300 peak   885 spectrum    1 weight  0.10000E+01 volume  0.59911E-03 ppm1      1.030 ppm2      1.230 CV     1
 ASSI {  890}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.100     1.100 peak   890 spectrum    1 weight  0.10000E+01 volume  0.16745E-02 ppm1      2.684 ppm2      4.238 CV     1
 ASSI {  902}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.900     1.000     1.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.49343E-02 ppm1      1.966 ppm2      3.773 CV     1
 ASSI {  908}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 9    and name HA  ))
      2.400     0.700     0.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.43782E-02 ppm1      1.850 ppm2      4.402 CV     1
 ASSI {  927}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 37   and name HB2 ))
      4.700     2.700     1.300 peak   927 spectrum    1 weight  0.10000E+01 volume  0.46668E-03 ppm1      2.903 ppm2      3.828 CV     1
 ASSI {  963}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      3.300     3.300     2.700 peak   963 spectrum    1 weight  0.10000E+01 volume  0.34027E-02 ppm1      3.450 ppm2      4.908 CV     1
 ASSI {  965}
   (  segid "    " and resid 9    and name HG2%)
   (  segid "    " and resid 23   and name HG2%)
      3.500     1.500     1.500 peak   965 spectrum    1 weight  0.10000E+01 volume  0.27303E-02 ppm1      0.551 ppm2      0.902 CV     1
 ASSI {  972}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
      3.700     1.700     1.700 peak   972 spectrum    1 weight  0.10000E+01 volume  0.16685E-02 ppm1      3.628 ppm2      4.279 CV     1
 ASSI {  982}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 34   and name HA  ))
      2.400     0.700     0.700 peak   982 spectrum    1 weight  0.10000E+01 volume  0.36588E-02 ppm1      1.960 ppm2      4.908 CV     1
 ASSI {  994}
   (( segid "    " and resid 33   and name HD1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.600     1.600     1.600 peak   994 spectrum    1 weight  0.10000E+01 volume  0.22069E-02 ppm1      7.108 ppm2      8.409 CV     1
 ASSI {  999}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 38   and name HA  ))
      2.400     0.700     0.700 peak   999 spectrum    1 weight  0.10000E+01 volume  0.19471E-02 ppm1      1.994 ppm2      4.238 CV     1
 ASSI { 1004}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 26   and name HA  ))
      3.700     3.700     2.300 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.13427E-02 ppm1      2.083 ppm2      4.020 CV     1
 ASSI { 1019}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.19376E-02 ppm1      1.727 ppm2      4.129 CV     1
 ASSI { 1030}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      2.600     0.800     0.800 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.24438E-02 ppm1      3.033 ppm2      4.238 CV     1
 ASSI { 1037}
   (  segid "    " and resid 8    and name HG2%)
   (  segid "    " and resid 23   and name HG2%)
      5.800     4.200     0.200 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.16630E-03 ppm1      0.709 ppm2      0.902 CV     1
 ASSI { 1052}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      3.300     1.400     1.400 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.26723E-03 ppm1      3.047 ppm2      3.773 CV     1
 ASSI { 1058}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      4.100     2.100     1.900 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.20870E-02 ppm1      1.966 ppm2      4.375 CV     1
 ASSI { 1062}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.600     2.600     3.400 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.14199E-02 ppm1      2.021 ppm2      4.184 CV     1
 ASSI { 1152}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HG2 ))
      3.000     1.100     1.100 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.21423E-02 ppm1      1.611 ppm2      2.228 CV     1
 ASSI { 1160}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HG2 ))
      5.800     4.200     0.200 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.21227E-03 ppm1      0.729 ppm2      1.080 CV     1
 ASSI { 1167}
   (( segid "    " and resid 25   and name HZ3 ))
   (( segid "    " and resid 25   and name HZ2 ))
      4.200     2.200     1.800 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.76966E-03 ppm1      6.773 ppm2      7.411 CV     1
 ASSI { 1202}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      4.400     2.500     1.600 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.17263E-02 ppm1      1.611 ppm2      4.977 CV     1
 ASSI { 1212}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 6    and name HD21))
      4.700     2.800     1.300 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.32717E-03 ppm1      6.821 ppm2      7.096 CV     1
 ASSI { 1220}
   (( segid "    " and resid 25   and name HH2 ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.700     1.700 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.10330E-02 ppm1      6.862 ppm2      7.698 CV     1
 ASSI { 1225}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.600     2.600     3.400 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.12912E-02 ppm1      0.709 ppm2      4.252 CV     1
 ASSI { 1235}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 7    and name HG2 ))
      3.700     1.700     1.700 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.58483E-03 ppm1      0.579 ppm2      1.093 CV     1
 ASSI { 1249}
   (  segid "    " and resid 47   and name HE% )
   (  segid "    " and resid 47   and name HD% )
      4.700     2.800     1.300 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.11077E-03 ppm1      6.650 ppm2      7.014 CV     1
 ASSI { 1260}
   (( segid "    " and resid 25   and name HH2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.15107E-02 ppm1      6.869 ppm2      9.038 CV     1
 ASSI { 1289}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
      4.700     2.700     1.300 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.10185E-02 ppm1      1.235 ppm2      4.361 CV     1
 ASSI { 1297}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      4.200     2.200     1.800 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.65632E-04 ppm1      4.230 ppm2      4.649 CV     1
 ASSI { 1301}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      4.600     2.600     1.400 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.33758E-03 ppm1      2.630 ppm2      4.361 CV     1
 ASSI { 1305}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
      3.900     1.900     1.900 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.13143E-02 ppm1      1.057 ppm2      4.266 CV     1
 ASSI {   36}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.300     0.700     0.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.73793E-02 ppm1      7.798 ppm2      3.716 CV     1
 ASSI {   84}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak    84 spectrum    1 weight  0.10000E+01 volume  0.31799E-02 ppm1      8.109 ppm2      4.349 CV     1
 ASSI {   86}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.300     1.300 peak    86 spectrum    1 weight  0.10000E+01 volume  0.74002E-03 ppm1      8.109 ppm2      7.583 CV     1
 ASSI {   89}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HB% )
      2.300     0.700     0.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.60904E-02 ppm1      8.109 ppm2      1.021 CV     1
 ASSI {   94}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.100     1.100 peak    94 spectrum    1 weight  0.10000E+01 volume  0.16605E-02 ppm1      8.109 ppm2      8.544 CV     1
 ASSI {   95}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak    95 spectrum    1 weight  0.10000E+01 volume  0.26116E-02 ppm1      8.109 ppm2      8.403 CV     1
 ASSI {  109}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      3.000     1.200     1.200 peak   109 spectrum    1 weight  0.10000E+01 volume  0.14911E-02 ppm1      7.305 ppm2      4.091 CV     1
 ASSI {  115}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      3.600     1.600     1.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.12428E-02 ppm1      7.305 ppm2      3.763 CV     1
 ASSI {  116}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.600     1.600     1.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.21044E-02 ppm1      7.305 ppm2      8.849 CV     1
 ASSI {  121}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak   121 spectrum    1 weight  0.10000E+01 volume  0.86558E-03 ppm1      7.305 ppm2      7.677 CV     1
 ASSI {  122}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.46103E-02 ppm1      8.332 ppm2      7.583 CV     1
 ASSI {  124}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.600     2.600     1.400 peak   124 spectrum    1 weight  0.10000E+01 volume  0.10916E-02 ppm1      8.332 ppm2      1.232 CV     1
 ASSI {  128}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA1 ))
      2.300     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.73180E-02 ppm1      8.332 ppm2      3.575 CV     1
 ASSI {  130}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA2 ))
      2.500     0.800     0.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.10504E-01 ppm1      8.332 ppm2      3.974 CV     1
 ASSI {  132}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.100     1.100 peak   132 spectrum    1 weight  0.10000E+01 volume  0.17839E-02 ppm1      8.332 ppm2      8.544 CV     1
 ASSI {  160}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA2 ))
      2.800     1.000     1.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.33216E-02 ppm1      8.579 ppm2      3.857 CV     1
 ASSI {  167}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.600     2.700     1.400 peak   167 spectrum    1 weight  0.10000E+01 volume  0.10926E-02 ppm1      8.579 ppm2      8.263 CV     1
 ASSI {  230}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      2.600     0.900     0.900 peak   230 spectrum    1 weight  0.10000E+01 volume  0.37525E-02 ppm1      8.573 ppm2      3.763 CV     1
 ASSI {  232}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      3.200     1.300     1.300 peak   232 spectrum    1 weight  0.10000E+01 volume  0.39052E-02 ppm1      8.573 ppm2      4.114 CV     1
 ASSI {  258}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.700     1.700     1.700 peak   258 spectrum    1 weight  0.10000E+01 volume  0.91380E-03 ppm1      8.232 ppm2      8.872 CV     1
 ASSI {  265}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.600     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.40447E-02 ppm1      7.986 ppm2      3.833 CV     1
 ASSI {  269}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak   269 spectrum    1 weight  0.10000E+01 volume  0.19160E-02 ppm1      7.986 ppm2      8.286 CV     1
 ASSI {  279}
   (( segid "    " and resid 6    and name HD22))
   (( segid "    " and resid 6    and name HB2 ))
      4.400     2.500     1.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.95166E-03 ppm1      7.845 ppm2      2.193 CV     1
 ASSI {  283}
   (( segid "    " and resid 6    and name HD22))
   (( segid "    " and resid 6    and name HD21))
      2.100     0.500     0.500 peak   283 spectrum    1 weight  0.10000E+01 volume  0.44387E-02 ppm1      7.845 ppm2      7.068 CV     1
 ASSI {  302}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 21   and name HD% )
      3.500     1.500     1.500 peak   302 spectrum    1 weight  0.10000E+01 volume  0.79259E-03 ppm1      7.710 ppm2      6.974 CV     1
 ASSI {  305}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.100     3.100     2.900 peak   305 spectrum    1 weight  0.10000E+01 volume  0.18617E-02 ppm1      7.710 ppm2      8.122 CV     1
 ASSI {  312}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 38   and name HE% )
      3.500     3.500     2.500 peak   312 spectrum    1 weight  0.10000E+01 volume  0.15717E-02 ppm1      7.710 ppm2      6.763 CV     1
 ASSI {  315}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      2.700     2.700     3.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.10251E-02 ppm1      7.710 ppm2      0.880 CV     1
 ASSI {  316}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 25   and name HE1 ))
      3.500     1.600     1.600 peak   316 spectrum    1 weight  0.10000E+01 volume  0.22110E-02 ppm1      7.710 ppm2      9.646 CV     1
 ASSI {  333}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 25   and name HH2 ))
      4.300     2.300     1.700 peak   333 spectrum    1 weight  0.10000E+01 volume  0.73009E-03 ppm1      8.309 ppm2      6.880 CV     1
 ASSI {  334}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.200     2.200     3.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.32022E-02 ppm1      8.309 ppm2      3.669 CV     1
 ASSI {  384}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.400     1.400 peak   384 spectrum    1 weight  0.10000E+01 volume  0.10804E-02 ppm1      8.168 ppm2      7.677 CV     1
 ASSI {  396}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.500     1.500     1.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.94925E-03 ppm1      8.890 ppm2      1.794 CV     1
 ASSI {  400}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.400     2.400     1.600 peak   400 spectrum    1 weight  0.10000E+01 volume  0.81714E-03 ppm1      8.890 ppm2      4.958 CV     1
 ASSI {  403}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      4.000     2.000     2.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.90542E-03 ppm1      8.890 ppm2      5.193 CV     1
 ASSI {  413}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.300     0.600     0.600 peak   413 spectrum    1 weight  0.10000E+01 volume  0.64389E-02 ppm1      8.473 ppm2      4.443 CV     1
 ASSI {  414}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.200     2.200     1.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.18571E-02 ppm1      8.473 ppm2      2.872 CV     1
 ASSI {  416}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak   416 spectrum    1 weight  0.10000E+01 volume  0.19348E-02 ppm1      8.473 ppm2      3.857 CV     1
 ASSI {  419}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 38   and name HD% )
      3.900     1.900     1.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.79093E-03 ppm1      8.473 ppm2      6.997 CV     1
 ASSI {  429}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.400     1.400     1.400 peak   429 spectrum    1 weight  0.10000E+01 volume  0.27626E-02 ppm1      8.180 ppm2      8.005 CV     1
 ASSI {  436}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.200     1.300     1.300 peak   436 spectrum    1 weight  0.10000E+01 volume  0.17699E-02 ppm1      8.186 ppm2      1.911 CV     1
 ASSI {  437}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.000     1.200     1.200 peak   437 spectrum    1 weight  0.10000E+01 volume  0.32296E-02 ppm1      8.186 ppm2      3.646 CV     1
 ASSI {  438}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.200     0.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.65866E-02 ppm1      8.186 ppm2      3.927 CV     1
 ASSI {  449}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA2 ))
      2.700     0.900     0.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.44158E-02 ppm1      8.285 ppm2      3.857 CV     1
 ASSI {  451}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.800     1.000     1.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.19601E-02 ppm1      7.921 ppm2      3.716 CV     1
 ASSI {  458}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.800     1.000     1.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.33026E-02 ppm1      7.921 ppm2      4.443 CV     1
 ASSI {  459}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.500     0.800     0.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.44785E-02 ppm1      7.921 ppm2      2.872 CV     1
 ASSI {  470}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 25   and name HZ2 ))
      3.800     3.800     2.200 peak   470 spectrum    1 weight  0.10000E+01 volume  0.74174E-03 ppm1      8.285 ppm2      7.396 CV     1
 ASSI {  486}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      3.600     1.600     1.600 peak   486 spectrum    1 weight  0.10000E+01 volume  0.13385E-02 ppm1      7.699 ppm2      1.935 CV     1
 ASSI {  494}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.100     2.100     1.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.84125E-03 ppm1      7.699 ppm2      7.982 CV     1
 ASSI {  526}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.500     0.800     0.800 peak   526 spectrum    1 weight  0.10000E+01 volume  0.26199E-02 ppm1      8.461 ppm2      4.958 CV     1
 ASSI {  529}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.000     2.000     2.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.82380E-03 ppm1      8.467 ppm2      7.560 CV     1
 ASSI {  536}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.000     0.500     0.500 peak   536 spectrum    1 weight  0.10000E+01 volume  0.99999E-02 ppm1      8.461 ppm2      4.443 CV     1
 ASSI {  538}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
      3.900     1.900     1.900 peak   538 spectrum    1 weight  0.10000E+01 volume  0.14426E-02 ppm1      8.461 ppm2      2.216 CV     1
 ASSI {  558}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak   558 spectrum    1 weight  0.10000E+01 volume  0.29931E-02 ppm1      8.860 ppm2      4.044 CV     1
 ASSI {  607}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.200     1.300     1.300 peak   607 spectrum    1 weight  0.10000E+01 volume  0.17769E-02 ppm1      8.221 ppm2      4.372 CV     1
 ASSI {  618}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.500     2.500     3.500 peak   618 spectrum    1 weight  0.10000E+01 volume  0.46086E-02 ppm1      8.045 ppm2      3.060 CV     1
 ASSI {  621}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.200     1.300     1.300 peak   621 spectrum    1 weight  0.10000E+01 volume  0.23415E-02 ppm1      8.045 ppm2      7.232 CV     1
 ASSI {  626}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      3.200     1.300     1.300 peak   626 spectrum    1 weight  0.10000E+01 volume  0.17737E-02 ppm1      8.051 ppm2      1.958 CV     1
 ASSI {  639}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.200     1.300     1.300 peak   639 spectrum    1 weight  0.10000E+01 volume  0.31271E-02 ppm1      8.115 ppm2      7.513 CV     1
 ASSI {  649}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.600     1.600     1.600 peak   649 spectrum    1 weight  0.10000E+01 volume  0.12709E-02 ppm1      8.121 ppm2      3.646 CV     1
 ASSI {  681}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.300     0.700     0.700 peak   681 spectrum    1 weight  0.10000E+01 volume  0.92025E-02 ppm1      7.599 ppm2      1.255 CV     1
 ASSI {  682}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.600     0.900     0.900 peak   682 spectrum    1 weight  0.10000E+01 volume  0.28136E-02 ppm1      7.593 ppm2      4.443 CV     1
 ASSI {  684}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA1 ))
      3.200     1.300     1.300 peak   684 spectrum    1 weight  0.10000E+01 volume  0.17018E-02 ppm1      7.593 ppm2      3.575 CV     1
 ASSI {  685}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      4.000     2.000     2.000 peak   685 spectrum    1 weight  0.10000E+01 volume  0.12595E-02 ppm1      7.593 ppm2      1.044 CV     1
 ASSI {  687}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.200     1.300     1.300 peak   687 spectrum    1 weight  0.10000E+01 volume  0.25332E-02 ppm1      7.992 ppm2      1.911 CV     1
 ASSI {  711}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.700     1.700     1.700 peak   711 spectrum    1 weight  0.10000E+01 volume  0.84485E-03 ppm1      8.860 ppm2      7.536 CV     1
 ASSI {  717}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.600     1.700     1.700 peak   717 spectrum    1 weight  0.10000E+01 volume  0.92358E-03 ppm1      8.860 ppm2      2.193 CV     1
 ASSI {  726}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.500     1.600     1.600 peak   726 spectrum    1 weight  0.10000E+01 volume  0.98512E-03 ppm1      9.036 ppm2      1.677 CV     1
 ASSI {  756}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.800     1.000     1.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.31739E-02 ppm1      7.517 ppm2      2.685 CV     1
 ASSI {  791}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      3.900     1.900     1.900 peak   791 spectrum    1 weight  0.10000E+01 volume  0.98098E-03 ppm1      7.916 ppm2      1.279 CV     1
 ASSI {  792}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.300     1.400     1.400 peak   792 spectrum    1 weight  0.10000E+01 volume  0.79823E-03 ppm1      7.921 ppm2      4.068 CV     1
 ASSI {  803}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      3.100     1.200     1.200 peak   803 spectrum    1 weight  0.10000E+01 volume  0.23576E-02 ppm1      8.133 ppm2      0.880 CV     1
 ASSI {  825}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.800     1.800     1.800 peak   825 spectrum    1 weight  0.10000E+01 volume  0.93163E-03 ppm1      7.699 ppm2      2.286 CV     1
 ASSI {  838}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.400     2.500     1.600 peak   838 spectrum    1 weight  0.10000E+01 volume  0.86724E-03 ppm1      7.699 ppm2      8.872 CV     1
 ASSI {  839}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.800     0.800 peak   839 spectrum    1 weight  0.10000E+01 volume  0.36215E-02 ppm1      7.699 ppm2      5.193 CV     1
 ASSI {  840}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD2%)
      3.500     1.600     1.600 peak   840 spectrum    1 weight  0.10000E+01 volume  0.24170E-02 ppm1      7.699 ppm2      0.435 CV     1
 OR {  840}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {  870}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.100     0.500     0.500 peak   870 spectrum    1 weight  0.10000E+01 volume  0.37441E-02 ppm1      8.420 ppm2      4.958 CV     1
 ASSI {  871}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      3.700     1.800     1.800 peak   871 spectrum    1 weight  0.10000E+01 volume  0.15262E-02 ppm1      8.420 ppm2      1.232 CV     1
 ASSI {  881}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   881 spectrum    1 weight  0.10000E+01 volume  0.25087E-02 ppm1      8.420 ppm2      4.349 CV     1
 ASSI {  887}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HB% )
      2.400     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.76220E-02 ppm1      8.420 ppm2      1.021 CV     1
 ASSI {  888}
   (( segid "    " and resid 25   and name HE1 ))
   (  segid "    " and resid 38   and name HE% )
      2.900     2.900     3.100 peak   888 spectrum    1 weight  0.10000E+01 volume  0.37919E-02 ppm1      9.658 ppm2      6.763 CV     1
 ASSI {  909}
   (( segid "    " and resid 33   and name HE1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.500     2.500     3.500 peak   909 spectrum    1 weight  0.10000E+01 volume  0.15584E-02 ppm1      9.928 ppm2      5.661 CV     1
 ASSI {  912}
   (( segid "    " and resid 33   and name HE1 ))
   (( segid "    " and resid 33   and name HZ2 ))
      2.700     0.900     0.900 peak   912 spectrum    1 weight  0.10000E+01 volume  0.61366E-02 ppm1      9.928 ppm2      7.232 CV     1
 ASSI {    6}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 25   and name HZ3 ))
      2.300     2.300     3.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.15351E-01 ppm1      6.971 ppm2      6.782 CV     1
 ASSI {   14}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.400     2.400     3.600 peak    14 spectrum    1 weight  0.10000E+01 volume  0.95193E-02 ppm1      2.883 ppm2      2.693 CV     1
 ASSI {   23}
   (( segid "    " and resid 3    and name HA2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.800     2.800     3.200 peak    23 spectrum    1 weight  0.10000E+01 volume  0.89962E-02 ppm1      3.860 ppm2      3.691 CV     1
 ASSI {   31}
   (( segid "    " and resid 33   and name HE1 ))
   (( segid "    " and resid 33   and name HD1 ))
      2.700     0.900     0.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.35298E-02 ppm1      9.925 ppm2      7.124 CV     1
 ASSI {   45}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.200     1.300     1.300 peak    45 spectrum    1 weight  0.10000E+01 volume  0.77332E-03 ppm1      3.860 ppm2      3.760 CV     1
 ASSI {   63}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.200     0.600     0.600 peak    63 spectrum    1 weight  0.10000E+01 volume  0.54379E-02 ppm1      8.086 ppm2      3.979 CV     1
 ASSI {   68}
   (( segid "    " and resid 33   and name HZ2 ))
   (( segid "    " and resid 33   and name HH2 ))
      2.700     0.900     0.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.31272E-02 ppm1      7.231 ppm2      6.713 CV     1
 ASSI {   69}
   (  segid "    " and resid 40   and name HB% )
   (  segid "    " and resid 39   and name HG2%)
      3.300     3.300     2.700 peak    69 spectrum    1 weight  0.10000E+01 volume  0.40358E-02 ppm1      1.290 ppm2      0.697 CV     1
 ASSI {   80}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.300     3.300     2.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.33083E-02 ppm1      3.936 ppm2      3.623 CV     1
 ASSI {   83}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.200     0.600     0.600 peak    83 spectrum    1 weight  0.10000E+01 volume  0.33060E-02 ppm1      8.072 ppm2      4.115 CV     1
 ASSI {   84}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      3.000     1.100     1.100 peak    84 spectrum    1 weight  0.10000E+01 volume  0.34393E-02 ppm1      8.086 ppm2      1.257 CV     1
 ASSI {   91}
   (  segid "    " and resid 38   and name HD% )
   (  segid "    " and resid 39   and name HG2%)
      3.300     3.300     2.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.32610E-02 ppm1      6.978 ppm2      0.724 CV     1
 ASSI {  120}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     0.800     0.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.42457E-02 ppm1      7.792 ppm2      4.430 CV     1
 ASSI {  131}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.400     0.700     0.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.59008E-02 ppm1      8.284 ppm2      4.006 CV     1
 ASSI {  143}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 35   and name HG2 ))
      2.200     2.200     3.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.22687E-02 ppm1      1.734 ppm2      1.449 CV     1
 ASSI {  176}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
      5.200     3.400     0.800 peak   176 spectrum    1 weight  0.10000E+01 volume  0.11830E-03 ppm1      3.751 ppm2      3.650 CV     1
 ASSI {  177}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      2.000     0.500     0.500 peak   177 spectrum    1 weight  0.10000E+01 volume  0.21132E-02 ppm1      8.400 ppm2      4.006 CV     1
 ASSI {  188}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.300     0.700     0.700 peak   188 spectrum    1 weight  0.10000E+01 volume  0.15851E-02 ppm1      7.504 ppm2      4.129 CV     1
 ASSI {  190}
   (( segid "    " and resid 25   and name HZ3 ))
   (  segid "    " and resid 39   and name HG2%)
      3.800     3.800     2.200 peak   190 spectrum    1 weight  0.10000E+01 volume  0.11124E-02 ppm1      6.773 ppm2      0.724 CV     1
 ASSI {  213}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.300     0.700     0.700 peak   213 spectrum    1 weight  0.10000E+01 volume  0.25283E-02 ppm1      7.709 ppm2      4.895 CV     1
 ASSI {  221}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HB% )
      4.100     2.100     1.900 peak   221 spectrum    1 weight  0.10000E+01 volume  0.15806E-02 ppm1      8.092 ppm2      1.312 CV     1
 ASSI {  236}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.300     0.700     0.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.27549E-02 ppm1      8.113 ppm2      3.432 CV     1
 ASSI {  248}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.000     1.100     1.100 peak   248 spectrum    1 weight  0.10000E+01 volume  0.15438E-02 ppm1      8.154 ppm2      4.416 CV     1
 ASSI {  262}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      2.800     1.000     1.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.20543E-02 ppm1      8.086 ppm2      3.678 CV     1
 ASSI {  266}
   (( segid "    " and resid 7    and name HG2 ))
   (  segid "    " and resid 23   and name HG2%)
      3.800     1.800     1.800 peak   266 spectrum    1 weight  0.10000E+01 volume  0.26586E-03 ppm1      1.078 ppm2      0.902 CV     1
 ASSI {  280}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      2.900     1.100     1.100 peak   280 spectrum    1 weight  0.10000E+01 volume  0.95048E-03 ppm1      8.092 ppm2      3.869 CV     1
 ASSI {  309}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 39   and name HG2%)
      3.300     1.300     1.300 peak   309 spectrum    1 weight  0.10000E+01 volume  0.12056E-02 ppm1      3.942 ppm2      0.724 CV     1
 ASSI {  311}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.400     1.400     1.400 peak   311 spectrum    1 weight  0.10000E+01 volume  0.14637E-02 ppm1      8.147 ppm2      2.529 CV     1
 ASSI {  319}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 8    and name HG2%)
      3.900     1.900     1.900 peak   319 spectrum    1 weight  0.10000E+01 volume  0.71349E-04 ppm1      0.873 ppm2      0.697 CV     1
 ASSI {  324}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 34   and name HB  ))
      3.500     1.500     1.500 peak   324 spectrum    1 weight  0.10000E+01 volume  0.17379E-02 ppm1      6.978 ppm2      1.968 CV     1
 ASSI {  342}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 39   and name HB  ))
      3.400     3.400     2.600 peak   342 spectrum    1 weight  0.10000E+01 volume  0.26543E-02 ppm1      4.018 ppm2      1.873 CV     1
 ASSI {  370}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.800     2.900     1.200 peak   370 spectrum    1 weight  0.10000E+01 volume  0.14765E-03 ppm1      7.901 ppm2      7.807 CV     1
 ASSI {  371}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HD1 ))
      4.600     2.700     1.400 peak   371 spectrum    1 weight  0.10000E+01 volume  0.59529E-03 ppm1      8.393 ppm2      7.124 CV     1
 ASSI {  407}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.000     1.100     1.100 peak   407 spectrum    1 weight  0.10000E+01 volume  0.10881E-02 ppm1      7.511 ppm2      4.238 CV     1
 ASSI {  411}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.600     0.800     0.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.13722E-02 ppm1      8.879 ppm2      5.647 CV     1
 ASSI {  415}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 14   and name HB% )
      2.500     2.500     3.500 peak   415 spectrum    1 weight  0.10000E+01 volume  0.11316E-02 ppm1      1.631 ppm2      1.025 CV     1
 ASSI {  426}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      3.700     1.700     1.700 peak   426 spectrum    1 weight  0.10000E+01 volume  0.39185E-03 ppm1      4.995 ppm2      4.799 CV     1
 ASSI {  436}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.15720E-02 ppm1      9.029 ppm2      4.826 CV     1
 ASSI {  439}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.400     2.500     1.600 peak   439 spectrum    1 weight  0.10000E+01 volume  0.30600E-03 ppm1      4.667 ppm2      3.760 CV     1
 ASSI {  441}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.000     1.100     1.100 peak   441 spectrum    1 weight  0.10000E+01 volume  0.14752E-02 ppm1      8.851 ppm2      3.664 CV     1
 ASSI {  445}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.400     1.500     1.500 peak   445 spectrum    1 weight  0.10000E+01 volume  0.13758E-02 ppm1      7.880 ppm2      2.898 CV     1
 ASSI {  447}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     2.900     3.100 peak   447 spectrum    1 weight  0.10000E+01 volume  0.44139E-03 ppm1      8.284 ppm2      4.826 CV     1
 ASSI {  470}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 34   and name HB  ))
      4.400     2.400     1.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.33994E-03 ppm1      4.653 ppm2      1.968 CV     1
 ASSI {  471}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.200     1.300     1.300 peak   471 spectrum    1 weight  0.10000E+01 volume  0.67697E-03 ppm1      8.209 ppm2      4.621 CV     1
 ASSI {  478}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 19   and name HG2 ))
      5.000     3.100     1.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.26577E-03 ppm1      4.653 ppm2      2.228 CV     1
 ASSI {  486}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HB2 ))
      3.300     1.400     1.400 peak   486 spectrum    1 weight  0.10000E+01 volume  0.65871E-03 ppm1      2.219 ppm2      1.627 CV     1
 ASSI {  487}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 40   and name HB% )
      4.600     2.600     1.400 peak   487 spectrum    1 weight  0.10000E+01 volume  0.24305E-03 ppm1      4.667 ppm2      1.298 CV     1
 ASSI {  494}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 25   and name HH2 ))
      3.800     1.800     1.800 peak   494 spectrum    1 weight  0.10000E+01 volume  0.55985E-03 ppm1      7.682 ppm2      6.891 CV     1
 ASSI {  505}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      3.900     1.900     1.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.73363E-03 ppm1      8.544 ppm2      3.883 CV     1
 ASSI {  554}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.000     1.100     1.100 peak   554 spectrum    1 weight  0.10000E+01 volume  0.97642E-03 ppm1      8.393 ppm2      2.721 CV     1
 ASSI {  564}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      3.600     1.600     1.600 peak   564 spectrum    1 weight  0.10000E+01 volume  0.81295E-03 ppm1      3.648 ppm2      1.996 CV     1
 ASSI {  565}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.500     2.500     1.500 peak   565 spectrum    1 weight  0.10000E+01 volume  0.83464E-04 ppm1      8.065 ppm2      7.971 CV     1
 ASSI {  573}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
      5.100     3.200     0.900 peak   573 spectrum    1 weight  0.10000E+01 volume  0.18749E-03 ppm1      4.968 ppm2      4.621 CV     1
 ASSI {  610}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      4.400     2.400     1.600 peak   610 spectrum    1 weight  0.10000E+01 volume  0.72600E-03 ppm1      8.065 ppm2      2.037 CV     1
 ASSI {  622}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      5.500     3.800     0.500 peak   622 spectrum    1 weight  0.10000E+01 volume  0.21377E-03 ppm1      4.647 ppm2      2.707 CV     1
 ASSI {  625}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      3.700     1.700     1.700 peak   625 spectrum    1 weight  0.10000E+01 volume  0.61033E-03 ppm1      7.238 ppm2      1.873 CV     1
 ASSI {  628}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.400     1.500     1.500 peak   628 spectrum    1 weight  0.10000E+01 volume  0.79501E-03 ppm1      8.434 ppm2      1.640 CV     1
 ASSI {  662}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.800     1.800     1.800 peak   662 spectrum    1 weight  0.10000E+01 volume  0.80634E-03 ppm1      4.004 ppm2      2.201 CV     1
 ASSI {  690}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      3.600     1.600     1.600 peak   690 spectrum    1 weight  0.10000E+01 volume  0.32116E-03 ppm1      8.544 ppm2      3.691 CV     1
 ASSI {  750}
   (  segid "    " and resid 38   and name HE% )
   (  segid "    " and resid 38   and name HD% )
      1.900     0.400     0.400 peak   750 spectrum    1 weight  0.10000E+01 volume  0.15074E-01 ppm1      6.780 ppm2      7.000 CV     1
 ASSI {  753}
   (  segid "    " and resid 21   and name HE% )
   (  segid "    " and resid 21   and name HD% )
      2.300     0.600     0.600 peak   753 spectrum    1 weight  0.10000E+01 volume  0.56511E-02 ppm1      6.691 ppm2      6.973 CV     1
 ASSI {  760}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 15   and name HA2 ))
      1.500     0.300     0.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.14356E-01 ppm1      3.676 ppm2      3.869 CV     1
 ASSI {  783}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 25   and name HZ2 ))
      2.600     2.600     3.400 peak   783 spectrum    1 weight  0.10000E+01 volume  0.47647E-02 ppm1      6.957 ppm2      7.411 CV     1
 ASSI {  818}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HB  ))
      2.000     0.500     0.500 peak   818 spectrum    1 weight  0.10000E+01 volume  0.36832E-02 ppm1      1.064 ppm2      4.006 CV     1
 ASSI {  823}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      2.200     0.600     0.600 peak   823 spectrum    1 weight  0.10000E+01 volume  0.52212E-02 ppm1      1.249 ppm2      4.457 CV     1
 ASSI {  828}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      2.600     0.900     0.900 peak   828 spectrum    1 weight  0.10000E+01 volume  0.65576E-02 ppm1      0.674 ppm2      4.061 CV     1
 ASSI {  829}
   (  segid "    " and resid 14   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
      2.500     0.800     0.800 peak   829 spectrum    1 weight  0.10000E+01 volume  0.38071E-02 ppm1      1.009 ppm2      4.361 CV     1
 ASSI {  844}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.600     0.800     0.800 peak   844 spectrum    1 weight  0.10000E+01 volume  0.44912E-02 ppm1      2.883 ppm2      4.457 CV     1
 ASSI {  853}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 34   and name HB  ))
      2.300     0.600     0.600 peak   853 spectrum    1 weight  0.10000E+01 volume  0.32762E-02 ppm1      0.715 ppm2      1.968 CV     1
 ASSI {  876}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.800     0.800 peak   876 spectrum    1 weight  0.10000E+01 volume  0.29643E-02 ppm1      1.679 ppm2      4.006 CV     1
 ASSI {  877}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.400     2.400     3.600 peak   877 spectrum    1 weight  0.10000E+01 volume  0.12194E-02 ppm1      3.436 ppm2      3.787 CV     1
 ASSI {  883}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 8    and name HB  ))
      4.000     2.000     2.000 peak   883 spectrum    1 weight  0.10000E+01 volume  0.15008E-02 ppm1      1.085 ppm2      1.422 CV     1
 ASSI {  884}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      2.000     2.000     4.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.34628E-02 ppm1      0.551 ppm2      1.996 CV     1
 ASSI {  890}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.000     1.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.12148E-02 ppm1      2.684 ppm2      4.238 CV     1
 ASSI {  953}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 23   and name HA  ))
      3.300     3.300     2.700 peak   953 spectrum    1 weight  0.10000E+01 volume  0.14134E-02 ppm1      1.864 ppm2      4.006 CV     1
 ASSI {  965}
   (  segid "    " and resid 9    and name HG2%)
   (  segid "    " and resid 23   and name HG2%)
      3.000     1.100     1.100 peak   965 spectrum    1 weight  0.10000E+01 volume  0.19808E-02 ppm1      0.551 ppm2      0.902 CV     1
 ASSI {  982}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 34   and name HA  ))
      2.400     0.700     0.700 peak   982 spectrum    1 weight  0.10000E+01 volume  0.26544E-02 ppm1      1.960 ppm2      4.908 CV     1
 ASSI { 1016}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 19   and name HB2 ))
      3.600     1.600     1.600 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.18064E-02 ppm1      1.044 ppm2      1.627 CV     1
 ASSI { 1019}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.600     0.900     0.900 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.14057E-02 ppm1      1.727 ppm2      4.129 CV     1
 ASSI { 1027}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 7    and name HA  ))
      2.200     2.200     3.800 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.19575E-02 ppm1      1.420 ppm2      4.252 CV     1
 ASSI { 1052}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      4.500     2.600     1.500 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.19388E-03 ppm1      3.047 ppm2      3.773 CV     1
 ASSI { 1062}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.500     2.500     3.500 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.10301E-02 ppm1      2.021 ppm2      4.184 CV     1
 ASSI { 1127}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 39   and name HB  ))
      4.300     2.300     1.700 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.47670E-03 ppm1      1.235 ppm2      1.886 CV     1
 ASSI { 1167}
   (( segid "    " and resid 25   and name HZ3 ))
   (( segid "    " and resid 25   and name HZ2 ))
      4.400     2.400     1.600 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.55840E-03 ppm1      6.773 ppm2      7.411 CV     1
 ASSI { 1173}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
      3.500     1.600     1.600 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.92755E-03 ppm1      0.551 ppm2      3.664 CV     1
 ASSI { 1212}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 6    and name HD21))
      4.300     2.400     1.700 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.23736E-03 ppm1      6.821 ppm2      7.096 CV     1
 ASSI { 1243}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      4.000     2.000     2.000 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.68122E-03 ppm1      3.997 ppm2      4.471 CV     1
 ASSI { 1249}
   (  segid "    " and resid 47   and name HE% )
   (  segid "    " and resid 47   and name HD% )
      4.600     2.700     1.400 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.80366E-04 ppm1      6.650 ppm2      7.014 CV     1
 ASSI { 1289}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
      4.700     2.800     1.300 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.73889E-03 ppm1      1.235 ppm2      4.361 CV     1
 ASSI { 1297}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      4.200     2.200     1.800 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.47615E-04 ppm1      4.230 ppm2      4.649 CV     1
 ASSI { 1314}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 44   and name HB  ))
      4.200     2.200     1.800 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.29746E-03 ppm1      1.242 ppm2      1.914 CV     1
 ASSI {   36}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.200     0.600     0.600 peak    36 spectrum    1 weight  0.10000E+01 volume  0.71163E-02 ppm1      7.798 ppm2      3.716 CV     1
 ASSI {   84}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak    84 spectrum    1 weight  0.10000E+01 volume  0.30666E-02 ppm1      8.109 ppm2      4.349 CV     1
 ASSI {   86}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.400     1.500     1.500 peak    86 spectrum    1 weight  0.10000E+01 volume  0.71363E-03 ppm1      8.109 ppm2      7.583 CV     1
 ASSI {   89}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HB% )
      2.400     0.700     0.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.58732E-02 ppm1      8.109 ppm2      1.021 CV     1
 ASSI {   94}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.400     1.400 peak    94 spectrum    1 weight  0.10000E+01 volume  0.16013E-02 ppm1      8.109 ppm2      8.544 CV     1
 ASSI {   95}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak    95 spectrum    1 weight  0.10000E+01 volume  0.25186E-02 ppm1      8.109 ppm2      8.403 CV     1
 ASSI {  109}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      3.000     1.100     1.100 peak   109 spectrum    1 weight  0.10000E+01 volume  0.14379E-02 ppm1      7.305 ppm2      4.091 CV     1
 ASSI {  115}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      3.600     1.600     1.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.11986E-02 ppm1      7.305 ppm2      3.763 CV     1
 ASSI {  116}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.600     1.600     1.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.20294E-02 ppm1      7.305 ppm2      8.849 CV     1
 ASSI {  121}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak   121 spectrum    1 weight  0.10000E+01 volume  0.83474E-03 ppm1      7.305 ppm2      7.677 CV     1
 ASSI {  122}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     0.700     0.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.44460E-02 ppm1      8.332 ppm2      7.583 CV     1
 ASSI {  124}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.500     2.500     1.500 peak   124 spectrum    1 weight  0.10000E+01 volume  0.10526E-02 ppm1      8.332 ppm2      1.232 CV     1
 ASSI {  128}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA1 ))
      2.300     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.70573E-02 ppm1      8.332 ppm2      3.575 CV     1
 ASSI {  130}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA2 ))
      2.500     0.800     0.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.10130E-01 ppm1      8.332 ppm2      3.974 CV     1
 ASSI {  132}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.100     1.100 peak   132 spectrum    1 weight  0.10000E+01 volume  0.17204E-02 ppm1      8.332 ppm2      8.544 CV     1
 ASSI {  160}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA2 ))
      2.700     0.900     0.900 peak   160 spectrum    1 weight  0.10000E+01 volume  0.32032E-02 ppm1      8.579 ppm2      3.857 CV     1
 ASSI {  167}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.700     2.800     1.300 peak   167 spectrum    1 weight  0.10000E+01 volume  0.10536E-02 ppm1      8.579 ppm2      8.263 CV     1
 ASSI {  230}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      2.500     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.36188E-02 ppm1      8.573 ppm2      3.763 CV     1
 ASSI {  232}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      3.400     1.500     1.500 peak   232 spectrum    1 weight  0.10000E+01 volume  0.37660E-02 ppm1      8.573 ppm2      4.114 CV     1
 ASSI {  233}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 21   and name HE% )
      4.200     2.200     1.800 peak   233 spectrum    1 weight  0.10000E+01 volume  0.73097E-03 ppm1      8.579 ppm2      6.693 CV     1
 ASSI {  258}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.900     1.900     1.900 peak   258 spectrum    1 weight  0.10000E+01 volume  0.88127E-03 ppm1      8.232 ppm2      8.872 CV     1
 ASSI {  265}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.700     0.900     0.900 peak   265 spectrum    1 weight  0.10000E+01 volume  0.39005E-02 ppm1      7.986 ppm2      3.833 CV     1
 ASSI {  269}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak   269 spectrum    1 weight  0.10000E+01 volume  0.18477E-02 ppm1      7.986 ppm2      8.286 CV     1
 ASSI {  279}
   (( segid "    " and resid 6    and name HD22))
   (( segid "    " and resid 6    and name HB2 ))
      4.400     2.400     1.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.91776E-03 ppm1      7.845 ppm2      2.193 CV     1
 ASSI {  283}
   (( segid "    " and resid 6    and name HD22))
   (( segid "    " and resid 6    and name HD21))
      2.100     0.500     0.500 peak   283 spectrum    1 weight  0.10000E+01 volume  0.42806E-02 ppm1      7.845 ppm2      7.068 CV     1
 ASSI {  302}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 21   and name HD% )
      3.900     1.900     1.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.76436E-03 ppm1      7.710 ppm2      6.974 CV     1
 ASSI {  312}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 38   and name HE% )
      3.700     3.700     2.300 peak   312 spectrum    1 weight  0.10000E+01 volume  0.15156E-02 ppm1      7.710 ppm2      6.763 CV     1
 ASSI {  315}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      2.700     2.700     3.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.98859E-03 ppm1      7.710 ppm2      0.880 CV     1
 ASSI {  316}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 25   and name HE1 ))
      3.700     1.700     1.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.21322E-02 ppm1      7.710 ppm2      9.646 CV     1
 ASSI {  333}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 25   and name HH2 ))
      4.200     2.200     1.800 peak   333 spectrum    1 weight  0.10000E+01 volume  0.70408E-03 ppm1      8.309 ppm2      6.880 CV     1
 ASSI {  334}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.200     2.200     3.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.30880E-02 ppm1      8.309 ppm2      3.669 CV     1
 ASSI {  336}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      4.800     2.900     1.200 peak   336 spectrum    1 weight  0.10000E+01 volume  0.77306E-03 ppm1      7.558 ppm2      1.419 CV     1
 ASSI {  384}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.300     1.300 peak   384 spectrum    1 weight  0.10000E+01 volume  0.10419E-02 ppm1      8.168 ppm2      7.677 CV     1
 ASSI {  396}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.400     1.500     1.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.91546E-03 ppm1      8.890 ppm2      1.794 CV     1
 ASSI {  400}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.000     2.000     2.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.78800E-03 ppm1      8.890 ppm2      4.958 CV     1
 ASSI {  403}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.900     1.900     1.900 peak   403 spectrum    1 weight  0.10000E+01 volume  0.87318E-03 ppm1      8.890 ppm2      5.193 CV     1
 ASSI {  413}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   413 spectrum    1 weight  0.10000E+01 volume  0.62096E-02 ppm1      8.473 ppm2      4.443 CV     1
 ASSI {  414}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.200     2.200     1.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.17910E-02 ppm1      8.473 ppm2      2.872 CV     1
 ASSI {  416}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.900     0.900 peak   416 spectrum    1 weight  0.10000E+01 volume  0.18659E-02 ppm1      8.473 ppm2      3.857 CV     1
 ASSI {  429}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.200     1.300     1.300 peak   429 spectrum    1 weight  0.10000E+01 volume  0.26642E-02 ppm1      8.180 ppm2      8.005 CV     1
 ASSI {  436}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.100     1.200     1.200 peak   436 spectrum    1 weight  0.10000E+01 volume  0.17069E-02 ppm1      8.186 ppm2      1.911 CV     1
 ASSI {  437}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.900     1.100     1.100 peak   437 spectrum    1 weight  0.10000E+01 volume  0.31144E-02 ppm1      8.186 ppm2      3.646 CV     1
 ASSI {  438}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.300     0.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.63520E-02 ppm1      8.186 ppm2      3.927 CV     1
 ASSI {  449}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA2 ))
      2.700     0.900     0.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.42584E-02 ppm1      8.285 ppm2      3.857 CV     1
 ASSI {  451}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.700     0.900     0.900 peak   451 spectrum    1 weight  0.10000E+01 volume  0.18903E-02 ppm1      7.921 ppm2      3.716 CV     1
 ASSI {  452}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      4.100     2.100     1.900 peak   452 spectrum    1 weight  0.10000E+01 volume  0.17546E-02 ppm1      7.921 ppm2      2.685 CV     1
 ASSI {  458}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.800     1.000     1.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.31850E-02 ppm1      7.921 ppm2      4.443 CV     1
 ASSI {  459}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.500     0.800     0.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.43189E-02 ppm1      7.921 ppm2      2.872 CV     1
 ASSI {  470}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 25   and name HZ2 ))
      3.700     3.700     2.300 peak   470 spectrum    1 weight  0.10000E+01 volume  0.71533E-03 ppm1      8.285 ppm2      7.396 CV     1
 ASSI {  486}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      3.400     1.400     1.400 peak   486 spectrum    1 weight  0.10000E+01 volume  0.12908E-02 ppm1      7.699 ppm2      1.935 CV     1
 ASSI {  494}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.100     2.100     1.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.81125E-03 ppm1      7.699 ppm2      7.982 CV     1
 ASSI {  526}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak   526 spectrum    1 weight  0.10000E+01 volume  0.25266E-02 ppm1      8.461 ppm2      4.958 CV     1
 ASSI {  529}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.900     1.900     1.900 peak   529 spectrum    1 weight  0.10000E+01 volume  0.79445E-03 ppm1      8.467 ppm2      7.560 CV     1
 ASSI {  536}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      1.900     0.500     0.500 peak   536 spectrum    1 weight  0.10000E+01 volume  0.96440E-02 ppm1      8.461 ppm2      4.443 CV     1
 ASSI {  538}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
      3.700     1.700     1.700 peak   538 spectrum    1 weight  0.10000E+01 volume  0.13912E-02 ppm1      8.461 ppm2      2.216 CV     1
 ASSI {  558}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak   558 spectrum    1 weight  0.10000E+01 volume  0.28864E-02 ppm1      8.860 ppm2      4.044 CV     1
 ASSI {  607}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.300     1.400     1.400 peak   607 spectrum    1 weight  0.10000E+01 volume  0.17135E-02 ppm1      8.221 ppm2      4.372 CV     1
 ASSI {  618}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.600     2.600     3.400 peak   618 spectrum    1 weight  0.10000E+01 volume  0.44444E-02 ppm1      8.045 ppm2      3.060 CV     1
 ASSI {  621}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.200     1.300     1.300 peak   621 spectrum    1 weight  0.10000E+01 volume  0.22581E-02 ppm1      8.045 ppm2      7.232 CV     1
 ASSI {  626}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      3.300     1.300     1.300 peak   626 spectrum    1 weight  0.10000E+01 volume  0.17105E-02 ppm1      8.051 ppm2      1.958 CV     1
 ASSI {  639}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak   639 spectrum    1 weight  0.10000E+01 volume  0.30157E-02 ppm1      8.115 ppm2      7.513 CV     1
 ASSI {  649}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.900     1.900     1.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.12257E-02 ppm1      8.121 ppm2      3.646 CV     1
 ASSI {  681}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.400     0.700     0.700 peak   681 spectrum    1 weight  0.10000E+01 volume  0.88747E-02 ppm1      7.599 ppm2      1.255 CV     1
 ASSI {  682}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   682 spectrum    1 weight  0.10000E+01 volume  0.27133E-02 ppm1      7.593 ppm2      4.443 CV     1
 ASSI {  684}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA1 ))
      3.400     1.400     1.400 peak   684 spectrum    1 weight  0.10000E+01 volume  0.16412E-02 ppm1      7.593 ppm2      3.575 CV     1
 ASSI {  685}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      3.600     1.600     1.600 peak   685 spectrum    1 weight  0.10000E+01 volume  0.12146E-02 ppm1      7.593 ppm2      1.044 CV     1
 ASSI {  687}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.300     1.400     1.400 peak   687 spectrum    1 weight  0.10000E+01 volume  0.24429E-02 ppm1      7.992 ppm2      1.911 CV     1
 ASSI {  711}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.600     1.600     1.600 peak   711 spectrum    1 weight  0.10000E+01 volume  0.81469E-03 ppm1      8.860 ppm2      7.536 CV     1
 ASSI {  717}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.600     1.600     1.600 peak   717 spectrum    1 weight  0.10000E+01 volume  0.89067E-03 ppm1      8.860 ppm2      2.193 CV     1
 ASSI {  726}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.600     1.600     1.600 peak   726 spectrum    1 weight  0.10000E+01 volume  0.95000E-03 ppm1      9.036 ppm2      1.677 CV     1
 ASSI {  756}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.800     1.000     1.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.30608E-02 ppm1      7.517 ppm2      2.685 CV     1
 ASSI {  791}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      3.900     1.900     1.900 peak   791 spectrum    1 weight  0.10000E+01 volume  0.94605E-03 ppm1      7.916 ppm2      1.279 CV     1
 ASSI {  792}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.400     1.400     1.400 peak   792 spectrum    1 weight  0.10000E+01 volume  0.76981E-03 ppm1      7.921 ppm2      4.068 CV     1
 ASSI {  803}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      3.100     1.200     1.200 peak   803 spectrum    1 weight  0.10000E+01 volume  0.22736E-02 ppm1      8.133 ppm2      0.880 CV     1
 ASSI {  811}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      3.500     3.500     2.500 peak   811 spectrum    1 weight  0.10000E+01 volume  0.19388E-02 ppm1      8.133 ppm2      1.091 CV     1
 ASSI {  825}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.400     1.500     1.500 peak   825 spectrum    1 weight  0.10000E+01 volume  0.89847E-03 ppm1      7.699 ppm2      2.286 CV     1
 ASSI {  838}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.500     2.500     1.500 peak   838 spectrum    1 weight  0.10000E+01 volume  0.83634E-03 ppm1      7.699 ppm2      8.872 CV     1
 ASSI {  839}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.800     0.800 peak   839 spectrum    1 weight  0.10000E+01 volume  0.34925E-02 ppm1      7.699 ppm2      5.193 CV     1
 ASSI {  840}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      3.600     1.600     1.600 peak   840 spectrum    1 weight  0.10000E+01 volume  0.23309E-02 ppm1      7.699 ppm2      0.435 CV     1
 OR {  840}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD2%)
 ASSI {  870}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.200     0.600     0.600 peak   870 spectrum    1 weight  0.10000E+01 volume  0.36107E-02 ppm1      8.420 ppm2      4.958 CV     1
 ASSI {  871}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      3.400     1.500     1.500 peak   871 spectrum    1 weight  0.10000E+01 volume  0.14718E-02 ppm1      8.420 ppm2      1.232 CV     1
 ASSI {  879}
   (( segid "    " and resid 25   and name HE1 ))
   (  segid "    " and resid 21   and name HD% )
      3.400     3.400     2.600 peak   879 spectrum    1 weight  0.10000E+01 volume  0.21497E-02 ppm1      9.658 ppm2      6.974 CV     1
 ASSI {  881}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.800     1.000     1.000 peak   881 spectrum    1 weight  0.10000E+01 volume  0.24193E-02 ppm1      8.420 ppm2      4.349 CV     1
 ASSI {  887}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HB% )
      2.400     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.73507E-02 ppm1      8.420 ppm2      1.021 CV     1
 ASSI {  888}
   (( segid "    " and resid 25   and name HE1 ))
   (  segid "    " and resid 38   and name HE% )
      2.900     2.900     3.100 peak   888 spectrum    1 weight  0.10000E+01 volume  0.36568E-02 ppm1      9.658 ppm2      6.763 CV     1
 ASSI {  909}
   (( segid "    " and resid 33   and name HE1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.800     1.800     1.800 peak   909 spectrum    1 weight  0.10000E+01 volume  0.15029E-02 ppm1      9.928 ppm2      5.661 CV     1
 ASSI {  912}
   (( segid "    " and resid 33   and name HE1 ))
   (( segid "    " and resid 33   and name HZ2 ))
      2.600     0.900     0.900 peak   912 spectrum    1 weight  0.10000E+01 volume  0.59181E-02 ppm1      9.928 ppm2      7.232 CV     1
 ASSI {    6}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 25   and name HZ3 ))
      2.100     2.100     3.900 peak     6 spectrum    1 weight  0.10000E+01 volume  0.14949E-01 ppm1      6.971 ppm2      6.782 CV     1
 ASSI {   14}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.500     0.800     0.800 peak    14 spectrum    1 weight  0.10000E+01 volume  0.92696E-02 ppm1      2.883 ppm2      2.693 CV     1
 ASSI {   23}
   (( segid "    " and resid 3    and name HA2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.800     2.800     3.200 peak    23 spectrum    1 weight  0.10000E+01 volume  0.87603E-02 ppm1      3.860 ppm2      3.691 CV     1
 ASSI {   31}
   (( segid "    " and resid 33   and name HE1 ))
   (( segid "    " and resid 33   and name HD1 ))
      2.700     0.900     0.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.34373E-02 ppm1      9.925 ppm2      7.124 CV     1
 ASSI {   45}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.200     1.300     1.300 peak    45 spectrum    1 weight  0.10000E+01 volume  0.75306E-03 ppm1      3.860 ppm2      3.760 CV     1
 ASSI {   63}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.200     0.600     0.600 peak    63 spectrum    1 weight  0.10000E+01 volume  0.52958E-02 ppm1      8.086 ppm2      3.979 CV     1
 ASSI {   68}
   (( segid "    " and resid 33   and name HZ2 ))
   (( segid "    " and resid 33   and name HH2 ))
      2.700     0.900     0.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.30453E-02 ppm1      7.231 ppm2      6.713 CV     1
 ASSI {   69}
   (  segid "    " and resid 40   and name HB% )
   (  segid "    " and resid 39   and name HG2%)
      3.400     1.500     1.500 peak    69 spectrum    1 weight  0.10000E+01 volume  0.39301E-02 ppm1      1.290 ppm2      0.697 CV     1
 ASSI {   80}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.300     3.300     2.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.32216E-02 ppm1      3.936 ppm2      3.623 CV     1
 ASSI {   83}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.300     0.700     0.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.32193E-02 ppm1      8.072 ppm2      4.115 CV     1
 ASSI {   84}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.900     1.000     1.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.33492E-02 ppm1      8.086 ppm2      1.257 CV     1
 ASSI {   91}
   (  segid "    " and resid 38   and name HD% )
   (  segid "    " and resid 39   and name HG2%)
      3.300     3.300     2.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.31756E-02 ppm1      6.978 ppm2      0.724 CV     1
 ASSI {  120}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     0.800     0.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.41345E-02 ppm1      7.792 ppm2      4.430 CV     1
 ASSI {  131}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.300     0.700     0.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.57467E-02 ppm1      8.284 ppm2      4.006 CV     1
 ASSI {  143}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 35   and name HG2 ))
      2.200     2.200     3.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.22093E-02 ppm1      1.734 ppm2      1.449 CV     1
 ASSI {  176}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
      5.100     3.300     0.900 peak   176 spectrum    1 weight  0.10000E+01 volume  0.11520E-03 ppm1      3.751 ppm2      3.650 CV     1
 ASSI {  177}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      2.300     0.700     0.700 peak   177 spectrum    1 weight  0.10000E+01 volume  0.20579E-02 ppm1      8.400 ppm2      4.006 CV     1
 ASSI {  188}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.400     0.700     0.700 peak   188 spectrum    1 weight  0.10000E+01 volume  0.15436E-02 ppm1      7.504 ppm2      4.129 CV     1
 ASSI {  190}
   (( segid "    " and resid 25   and name HZ3 ))
   (  segid "    " and resid 39   and name HG2%)
      3.700     3.700     2.300 peak   190 spectrum    1 weight  0.10000E+01 volume  0.10833E-02 ppm1      6.773 ppm2      0.724 CV     1
 ASSI {  212}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
      4.000     2.000     2.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.41697E-03 ppm1      4.811 ppm2      4.621 CV     1
 ASSI {  213}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.200     0.600     0.600 peak   213 spectrum    1 weight  0.10000E+01 volume  0.24621E-02 ppm1      7.709 ppm2      4.895 CV     1
 ASSI {  221}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HB% )
      3.900     1.900     1.900 peak   221 spectrum    1 weight  0.10000E+01 volume  0.15392E-02 ppm1      8.092 ppm2      1.312 CV     1
 ASSI {  236}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.300     0.700     0.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.26828E-02 ppm1      8.113 ppm2      3.432 CV     1
 ASSI {  248}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.15034E-02 ppm1      8.154 ppm2      4.416 CV     1
 ASSI {  262}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      2.800     1.000     1.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.20005E-02 ppm1      8.086 ppm2      3.678 CV     1
 ASSI {  266}
   (( segid "    " and resid 7    and name HG2 ))
   (  segid "    " and resid 23   and name HG2%)
      3.900     1.900     1.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.25890E-03 ppm1      1.078 ppm2      0.902 CV     1
 ASSI {  280}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      3.100     1.200     1.200 peak   280 spectrum    1 weight  0.10000E+01 volume  0.92561E-03 ppm1      8.092 ppm2      3.869 CV     1
 ASSI {  309}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 39   and name HG2%)
      3.300     1.400     1.400 peak   309 spectrum    1 weight  0.10000E+01 volume  0.11740E-02 ppm1      3.942 ppm2      0.724 CV     1
 ASSI {  311}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.300     1.300     1.300 peak   311 spectrum    1 weight  0.10000E+01 volume  0.14253E-02 ppm1      8.147 ppm2      2.529 CV     1
 ASSI {  324}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 34   and name HB  ))
      3.400     1.500     1.500 peak   324 spectrum    1 weight  0.10000E+01 volume  0.16924E-02 ppm1      6.978 ppm2      1.968 CV     1
 ASSI {  342}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 39   and name HB  ))
      3.200     3.200     2.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.25848E-02 ppm1      4.018 ppm2      1.873 CV     1
 ASSI {  370}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      5.100     3.200     0.900 peak   370 spectrum    1 weight  0.10000E+01 volume  0.14378E-03 ppm1      7.901 ppm2      7.807 CV     1
 ASSI {  371}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HD1 ))
      4.900     3.000     1.100 peak   371 spectrum    1 weight  0.10000E+01 volume  0.57972E-03 ppm1      8.393 ppm2      7.124 CV     1
 ASSI {  389}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      3.600     1.600     1.600 peak   389 spectrum    1 weight  0.10000E+01 volume  0.97624E-03 ppm1      3.642 ppm2      0.560 CV     1
 ASSI {  407}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.100     1.100 peak   407 spectrum    1 weight  0.10000E+01 volume  0.10596E-02 ppm1      7.511 ppm2      4.238 CV     1
 ASSI {  411}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.600     0.900     0.900 peak   411 spectrum    1 weight  0.10000E+01 volume  0.13363E-02 ppm1      8.879 ppm2      5.647 CV     1
 ASSI {  415}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 14   and name HB% )
      2.400     2.400     3.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.11020E-02 ppm1      1.631 ppm2      1.025 CV     1
 ASSI {  426}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      3.800     1.800     1.800 peak   426 spectrum    1 weight  0.10000E+01 volume  0.38159E-03 ppm1      4.995 ppm2      4.799 CV     1
 ASSI {  436}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.15309E-02 ppm1      9.029 ppm2      4.826 CV     1
 ASSI {  439}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.000     3.000     3.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.29798E-03 ppm1      4.667 ppm2      3.760 CV     1
 ASSI {  441}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.000     1.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.14365E-02 ppm1      8.851 ppm2      3.664 CV     1
 ASSI {  445}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.700     3.700     2.300 peak   445 spectrum    1 weight  0.10000E+01 volume  0.13397E-02 ppm1      7.880 ppm2      2.898 CV     1
 ASSI {  447}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     2.900     3.100 peak   447 spectrum    1 weight  0.10000E+01 volume  0.42983E-03 ppm1      8.284 ppm2      4.826 CV     1
 ASSI {  466}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.700     0.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.15067E-03 ppm1      4.653 ppm2      3.062 CV     1
 ASSI {  470}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 34   and name HB  ))
      4.800     2.900     1.200 peak   470 spectrum    1 weight  0.10000E+01 volume  0.33103E-03 ppm1      4.653 ppm2      1.968 CV     1
 ASSI {  471}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.300     1.300 peak   471 spectrum    1 weight  0.10000E+01 volume  0.65924E-03 ppm1      8.209 ppm2      4.621 CV     1
 ASSI {  478}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 19   and name HG2 ))
      4.900     3.000     1.100 peak   478 spectrum    1 weight  0.10000E+01 volume  0.25881E-03 ppm1      4.653 ppm2      2.228 CV     1
 ASSI {  486}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HB2 ))
      3.700     1.700     1.700 peak   486 spectrum    1 weight  0.10000E+01 volume  0.64150E-03 ppm1      2.219 ppm2      1.627 CV     1
 ASSI {  487}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 40   and name HB% )
      5.000     3.200     1.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.23669E-03 ppm1      4.667 ppm2      1.298 CV     1
 ASSI {  494}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 25   and name HH2 ))
      3.500     1.600     1.600 peak   494 spectrum    1 weight  0.10000E+01 volume  0.54518E-03 ppm1      7.682 ppm2      6.891 CV     1
 ASSI {  505}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      3.900     1.900     1.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.71443E-03 ppm1      8.544 ppm2      3.883 CV     1
 ASSI {  554}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.900     1.000     1.000 peak   554 spectrum    1 weight  0.10000E+01 volume  0.95080E-03 ppm1      8.393 ppm2      2.721 CV     1
 ASSI {  564}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      3.700     1.700     1.700 peak   564 spectrum    1 weight  0.10000E+01 volume  0.79165E-03 ppm1      3.648 ppm2      1.996 CV     1
 ASSI {  565}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.500     2.600     1.500 peak   565 spectrum    1 weight  0.10000E+01 volume  0.81280E-04 ppm1      8.065 ppm2      7.971 CV     1
 ASSI {  573}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
      5.200     3.400     0.800 peak   573 spectrum    1 weight  0.10000E+01 volume  0.18257E-03 ppm1      4.968 ppm2      4.621 CV     1
 ASSI {  610}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      4.500     2.500     1.500 peak   610 spectrum    1 weight  0.10000E+01 volume  0.70703E-03 ppm1      8.065 ppm2      2.037 CV     1
 ASSI {  622}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      5.300     3.500     0.700 peak   622 spectrum    1 weight  0.10000E+01 volume  0.20817E-03 ppm1      4.647 ppm2      2.707 CV     1
 ASSI {  625}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      3.800     1.800     1.800 peak   625 spectrum    1 weight  0.10000E+01 volume  0.59436E-03 ppm1      7.238 ppm2      1.873 CV     1
 ASSI {  628}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.500     1.500     1.500 peak   628 spectrum    1 weight  0.10000E+01 volume  0.77416E-03 ppm1      8.434 ppm2      1.640 CV     1
 ASSI {  662}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.500     3.500     2.500 peak   662 spectrum    1 weight  0.10000E+01 volume  0.78525E-03 ppm1      4.004 ppm2      2.201 CV     1
 ASSI {  680}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
      2.800     2.800     3.200 peak   680 spectrum    1 weight  0.10000E+01 volume  0.48619E-03 ppm1      4.325 ppm2      2.119 CV     1
 ASSI {  690}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      3.600     1.600     1.600 peak   690 spectrum    1 weight  0.10000E+01 volume  0.31274E-03 ppm1      8.544 ppm2      3.691 CV     1
 ASSI {  713}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      3.800     3.800     2.200 peak   713 spectrum    1 weight  0.10000E+01 volume  0.77311E-03 ppm1      8.127 ppm2      1.900 CV     1
 ASSI {  733}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 39   and name HG2%)
      5.000     3.200     1.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.16163E-03 ppm1      1.720 ppm2      0.724 CV     1
 ASSI {  750}
   (  segid "    " and resid 38   and name HE% )
   (  segid "    " and resid 38   and name HD% )
      1.900     0.400     0.400 peak   750 spectrum    1 weight  0.10000E+01 volume  0.14679E-01 ppm1      6.780 ppm2      7.000 CV     1
 ASSI {  753}
   (  segid "    " and resid 21   and name HE% )
   (  segid "    " and resid 21   and name HD% )
      2.200     0.600     0.600 peak   753 spectrum    1 weight  0.10000E+01 volume  0.55028E-02 ppm1      6.691 ppm2      6.973 CV     1
 ASSI {  760}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 15   and name HA2 ))
      1.600     0.300     0.600 peak   760 spectrum    1 weight  0.10000E+01 volume  0.13980E-01 ppm1      3.676 ppm2      3.869 CV     1
 ASSI {  783}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 25   and name HZ2 ))
      2.500     2.500     3.500 peak   783 spectrum    1 weight  0.10000E+01 volume  0.46399E-02 ppm1      6.957 ppm2      7.411 CV     1
 ASSI {  818}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HB  ))
      2.100     0.600     0.600 peak   818 spectrum    1 weight  0.10000E+01 volume  0.35867E-02 ppm1      1.064 ppm2      4.006 CV     1
 ASSI {  823}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      2.200     0.600     0.600 peak   823 spectrum    1 weight  0.10000E+01 volume  0.50844E-02 ppm1      1.249 ppm2      4.457 CV     1
 ASSI {  828}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      2.800     1.000     1.000 peak   828 spectrum    1 weight  0.10000E+01 volume  0.63860E-02 ppm1      0.674 ppm2      4.061 CV     1
 ASSI {  829}
   (  segid "    " and resid 14   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
      2.500     0.800     0.800 peak   829 spectrum    1 weight  0.10000E+01 volume  0.37074E-02 ppm1      1.009 ppm2      4.361 CV     1
 ASSI {  844}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.500     0.800     0.800 peak   844 spectrum    1 weight  0.10000E+01 volume  0.43736E-02 ppm1      2.883 ppm2      4.457 CV     1
 ASSI {  853}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 34   and name HB  ))
      2.300     0.700     0.700 peak   853 spectrum    1 weight  0.10000E+01 volume  0.31904E-02 ppm1      0.715 ppm2      1.968 CV     1
 ASSI {  876}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak   876 spectrum    1 weight  0.10000E+01 volume  0.28867E-02 ppm1      1.679 ppm2      4.006 CV     1
 ASSI {  877}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.400     2.400     3.600 peak   877 spectrum    1 weight  0.10000E+01 volume  0.11875E-02 ppm1      3.436 ppm2      3.787 CV     1
 ASSI {  883}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 8    and name HB  ))
      4.300     2.300     1.700 peak   883 spectrum    1 weight  0.10000E+01 volume  0.14615E-02 ppm1      1.085 ppm2      1.422 CV     1
 ASSI {  884}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      2.000     2.000     4.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.33721E-02 ppm1      0.551 ppm2      1.996 CV     1
 ASSI {  890}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     1.000     1.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.11830E-02 ppm1      2.684 ppm2      4.238 CV     1
 ASSI {  953}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 23   and name HA  ))
      3.500     3.500     2.500 peak   953 spectrum    1 weight  0.10000E+01 volume  0.13764E-02 ppm1      1.864 ppm2      4.006 CV     1
 ASSI {  963}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     3.000     3.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.24040E-02 ppm1      3.450 ppm2      4.908 CV     1
 ASSI {  965}
   (  segid "    " and resid 9    and name HG2%)
   (  segid "    " and resid 23   and name HG2%)
      3.000     1.100     1.100 peak   965 spectrum    1 weight  0.10000E+01 volume  0.19289E-02 ppm1      0.551 ppm2      0.902 CV     1
 ASSI {  982}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 34   and name HA  ))
      2.400     0.700     0.700 peak   982 spectrum    1 weight  0.10000E+01 volume  0.25849E-02 ppm1      1.960 ppm2      4.908 CV     1
 ASSI { 1016}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 19   and name HB2 ))
      3.700     1.700     1.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.17590E-02 ppm1      1.044 ppm2      1.627 CV     1
 ASSI { 1019}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.13689E-02 ppm1      1.727 ppm2      4.129 CV     1
 ASSI { 1027}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 7    and name HA  ))
      3.500     3.500     2.500 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.19063E-02 ppm1      1.420 ppm2      4.252 CV     1
 ASSI { 1052}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      3.300     1.300     1.300 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.18880E-03 ppm1      3.047 ppm2      3.773 CV     1
 ASSI { 1062}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.500     2.500     3.500 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.10031E-02 ppm1      2.021 ppm2      4.184 CV     1
 ASSI { 1127}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 39   and name HB  ))
      4.300     2.300     1.700 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.46421E-03 ppm1      1.235 ppm2      1.886 CV     1
 ASSI { 1167}
   (( segid "    " and resid 25   and name HZ3 ))
   (( segid "    " and resid 25   and name HZ2 ))
      4.300     2.300     1.700 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.54378E-03 ppm1      6.773 ppm2      7.411 CV     1
 ASSI { 1210}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 35   and name HB2 ))
      4.600     2.600     1.400 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.70283E-03 ppm1      1.044 ppm2      2.721 CV     1
 ASSI { 1212}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 6    and name HD21))
      4.300     2.300     1.700 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.23114E-03 ppm1      6.821 ppm2      7.096 CV     1
 ASSI { 1243}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      3.800     1.800     1.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.66339E-03 ppm1      3.997 ppm2      4.471 CV     1
 ASSI { 1249}
   (  segid "    " and resid 47   and name HE% )
   (  segid "    " and resid 47   and name HD% )
      4.600     2.700     1.400 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.78260E-04 ppm1      6.650 ppm2      7.014 CV     1
 ASSI { 1289}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
      4.300     2.300     1.700 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.71952E-03 ppm1      1.235 ppm2      4.361 CV     1
 ASSI { 1297}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      4.100     2.100     1.900 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.46367E-04 ppm1      4.230 ppm2      4.649 CV     1
 ASSI { 1314}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 44   and name HB  ))
      4.300     2.300     1.700 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.28966E-03 ppm1      1.242 ppm2      1.914 CV     1
 ASSI {   36}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.300     0.700     0.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.73999E-02 ppm1      7.798 ppm2      3.716 CV     1
 ASSI {   84}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.500     1.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.31887E-02 ppm1      8.109 ppm2      4.349 CV     1
 ASSI {   86}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.400     1.500     1.500 peak    86 spectrum    1 weight  0.10000E+01 volume  0.74206E-03 ppm1      8.109 ppm2      7.583 CV     1
 ASSI {   89}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HB% )
      2.300     0.700     0.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.61069E-02 ppm1      8.109 ppm2      1.021 CV     1
 ASSI {   94}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.000     1.200     1.200 peak    94 spectrum    1 weight  0.10000E+01 volume  0.16652E-02 ppm1      8.109 ppm2      8.544 CV     1
 ASSI {   95}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak    95 spectrum    1 weight  0.10000E+01 volume  0.26188E-02 ppm1      8.109 ppm2      8.403 CV     1
 ASSI {  109}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      3.000     1.100     1.100 peak   109 spectrum    1 weight  0.10000E+01 volume  0.14952E-02 ppm1      7.305 ppm2      4.091 CV     1
 ASSI {  115}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      3.500     1.600     1.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.12463E-02 ppm1      7.305 ppm2      3.763 CV     1
 ASSI {  116}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.600     1.600     1.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.21102E-02 ppm1      7.305 ppm2      8.849 CV     1
 ASSI {  121}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak   121 spectrum    1 weight  0.10000E+01 volume  0.86797E-03 ppm1      7.305 ppm2      7.677 CV     1
 ASSI {  122}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.500     0.800     0.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.46231E-02 ppm1      8.332 ppm2      7.583 CV     1
 ASSI {  124}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.600     2.600     1.400 peak   124 spectrum    1 weight  0.10000E+01 volume  0.10946E-02 ppm1      8.332 ppm2      1.232 CV     1
 ASSI {  128}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA1 ))
      2.300     0.700     0.700 peak   128 spectrum    1 weight  0.10000E+01 volume  0.73383E-02 ppm1      8.332 ppm2      3.575 CV     1
 ASSI {  130}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA2 ))
      2.500     0.800     0.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.10533E-01 ppm1      8.332 ppm2      3.974 CV     1
 ASSI {  132}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.17888E-02 ppm1      8.332 ppm2      8.544 CV     1
 ASSI {  160}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA2 ))
      3.000     1.200     1.200 peak   160 spectrum    1 weight  0.10000E+01 volume  0.33308E-02 ppm1      8.579 ppm2      3.857 CV     1
 ASSI {  167}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.500     2.600     1.500 peak   167 spectrum    1 weight  0.10000E+01 volume  0.10956E-02 ppm1      8.579 ppm2      8.263 CV     1
 ASSI {  230}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      2.500     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.37629E-02 ppm1      8.573 ppm2      3.763 CV     1
 ASSI {  232}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      3.500     1.500     1.500 peak   232 spectrum    1 weight  0.10000E+01 volume  0.39160E-02 ppm1      8.573 ppm2      4.114 CV     1
 ASSI {  233}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 21   and name HE% )
      4.400     2.400     1.600 peak   233 spectrum    1 weight  0.10000E+01 volume  0.76012E-03 ppm1      8.579 ppm2      6.693 CV     1
 ASSI {  258}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.400     1.500     1.500 peak   258 spectrum    1 weight  0.10000E+01 volume  0.91635E-03 ppm1      8.232 ppm2      8.872 CV     1
 ASSI {  260}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.900     3.900     2.100 peak   260 spectrum    1 weight  0.10000E+01 volume  0.17047E-02 ppm1      8.232 ppm2      4.888 CV     1
 ASSI {  265}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.700     0.900     0.900 peak   265 spectrum    1 weight  0.10000E+01 volume  0.40559E-02 ppm1      7.986 ppm2      3.833 CV     1
 ASSI {  269}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.900     1.100     1.100 peak   269 spectrum    1 weight  0.10000E+01 volume  0.19213E-02 ppm1      7.986 ppm2      8.286 CV     1
 ASSI {  279}
   (( segid "    " and resid 6    and name HD22))
   (( segid "    " and resid 6    and name HB2 ))
      4.500     2.500     1.500 peak   279 spectrum    1 weight  0.10000E+01 volume  0.95432E-03 ppm1      7.845 ppm2      2.193 CV     1
 ASSI {  283}
   (( segid "    " and resid 6    and name HD22))
   (( segid "    " and resid 6    and name HD21))
      2.100     0.500     0.500 peak   283 spectrum    1 weight  0.10000E+01 volume  0.44510E-02 ppm1      7.845 ppm2      7.068 CV     1
 ASSI {  302}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 21   and name HD% )
      3.800     1.800     1.800 peak   302 spectrum    1 weight  0.10000E+01 volume  0.79479E-03 ppm1      7.710 ppm2      6.974 CV     1
 ASSI {  312}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 38   and name HE% )
      3.600     3.600     2.400 peak   312 spectrum    1 weight  0.10000E+01 volume  0.15760E-02 ppm1      7.710 ppm2      6.763 CV     1
 ASSI {  315}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      2.700     2.700     3.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.10280E-02 ppm1      7.710 ppm2      0.880 CV     1
 ASSI {  316}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 25   and name HE1 ))
      3.600     1.600     1.600 peak   316 spectrum    1 weight  0.10000E+01 volume  0.22171E-02 ppm1      7.710 ppm2      9.646 CV     1
 ASSI {  333}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 25   and name HH2 ))
      4.200     2.200     1.800 peak   333 spectrum    1 weight  0.10000E+01 volume  0.73213E-03 ppm1      8.309 ppm2      6.880 CV     1
 ASSI {  334}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.200     2.200     3.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.32110E-02 ppm1      8.309 ppm2      3.669 CV     1
 ASSI {  336}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      4.700     2.700     1.300 peak   336 spectrum    1 weight  0.10000E+01 volume  0.80382E-03 ppm1      7.558 ppm2      1.419 CV     1
 ASSI {  384}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.500     1.500     1.500 peak   384 spectrum    1 weight  0.10000E+01 volume  0.10834E-02 ppm1      8.168 ppm2      7.677 CV     1
 ASSI {  396}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.500     1.500     1.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.95187E-03 ppm1      8.890 ppm2      1.794 CV     1
 ASSI {  400}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.500     2.500     1.500 peak   400 spectrum    1 weight  0.10000E+01 volume  0.81938E-03 ppm1      8.890 ppm2      4.958 CV     1
 ASSI {  403}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      4.000     2.000     2.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.90796E-03 ppm1      8.890 ppm2      5.193 CV     1
 ASSI {  413}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.300     0.700     0.700 peak   413 spectrum    1 weight  0.10000E+01 volume  0.64568E-02 ppm1      8.473 ppm2      4.443 CV     1
 ASSI {  414}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.100     2.100     1.900 peak   414 spectrum    1 weight  0.10000E+01 volume  0.18623E-02 ppm1      8.473 ppm2      2.872 CV     1
 ASSI {  416}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.900     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.19402E-02 ppm1      8.473 ppm2      3.857 CV     1
 ASSI {  419}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 38   and name HD% )
      3.700     1.700     1.700 peak   419 spectrum    1 weight  0.10000E+01 volume  0.79315E-03 ppm1      8.473 ppm2      6.997 CV     1
 ASSI {  429}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.500     1.500     1.500 peak   429 spectrum    1 weight  0.10000E+01 volume  0.27703E-02 ppm1      8.180 ppm2      8.005 CV     1
 ASSI {  436}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.700     1.700     1.700 peak   436 spectrum    1 weight  0.10000E+01 volume  0.17748E-02 ppm1      8.186 ppm2      1.911 CV     1
 ASSI {  437}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.100     1.200     1.200 peak   437 spectrum    1 weight  0.10000E+01 volume  0.32385E-02 ppm1      8.186 ppm2      3.646 CV     1
 ASSI {  438}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.300     0.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.66050E-02 ppm1      8.186 ppm2      3.927 CV     1
 ASSI {  449}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA2 ))
      2.800     1.000     1.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.44280E-02 ppm1      8.285 ppm2      3.857 CV     1
 ASSI {  451}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.900     1.100     1.100 peak   451 spectrum    1 weight  0.10000E+01 volume  0.19656E-02 ppm1      7.921 ppm2      3.716 CV     1
 ASSI {  452}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.500     3.500     2.500 peak   452 spectrum    1 weight  0.10000E+01 volume  0.18245E-02 ppm1      7.921 ppm2      2.685 CV     1
 ASSI {  458}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.800     1.000     1.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.33118E-02 ppm1      7.921 ppm2      4.443 CV     1
 ASSI {  459}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.600     0.900     0.900 peak   459 spectrum    1 weight  0.10000E+01 volume  0.44909E-02 ppm1      7.921 ppm2      2.872 CV     1
 ASSI {  470}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 25   and name HZ2 ))
      3.600     3.600     2.400 peak   470 spectrum    1 weight  0.10000E+01 volume  0.74382E-03 ppm1      8.285 ppm2      7.396 CV     1
 ASSI {  486}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      3.400     1.500     1.500 peak   486 spectrum    1 weight  0.10000E+01 volume  0.13423E-02 ppm1      7.699 ppm2      1.935 CV     1
 ASSI {  526}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak   526 spectrum    1 weight  0.10000E+01 volume  0.26272E-02 ppm1      8.461 ppm2      4.958 CV     1
 ASSI {  529}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.000     2.000     2.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.82607E-03 ppm1      8.467 ppm2      7.560 CV     1
 ASSI {  536}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.000     0.500     0.500 peak   536 spectrum    1 weight  0.10000E+01 volume  0.10028E-01 ppm1      8.461 ppm2      4.443 CV     1
 ASSI {  538}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
      3.800     1.800     1.800 peak   538 spectrum    1 weight  0.10000E+01 volume  0.14466E-02 ppm1      8.461 ppm2      2.216 CV     1
 ASSI {  558}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak   558 spectrum    1 weight  0.10000E+01 volume  0.30013E-02 ppm1      8.860 ppm2      4.044 CV     1
 ASSI {  607}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.300     1.400     1.400 peak   607 spectrum    1 weight  0.10000E+01 volume  0.17818E-02 ppm1      8.221 ppm2      4.372 CV     1
 ASSI {  618}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.500     2.500     3.500 peak   618 spectrum    1 weight  0.10000E+01 volume  0.46214E-02 ppm1      8.045 ppm2      3.060 CV     1
 ASSI {  621}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.300     1.300     1.300 peak   621 spectrum    1 weight  0.10000E+01 volume  0.23480E-02 ppm1      8.045 ppm2      7.232 CV     1
 ASSI {  626}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      3.200     1.300     1.300 peak   626 spectrum    1 weight  0.10000E+01 volume  0.17786E-02 ppm1      8.051 ppm2      1.958 CV     1
 ASSI {  639}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.000     1.100     1.100 peak   639 spectrum    1 weight  0.10000E+01 volume  0.31358E-02 ppm1      8.115 ppm2      7.513 CV     1
 ASSI {  649}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.300     1.400     1.400 peak   649 spectrum    1 weight  0.10000E+01 volume  0.12745E-02 ppm1      8.121 ppm2      3.646 CV     1
 ASSI {  676}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.900     1.900     1.900 peak   676 spectrum    1 weight  0.10000E+01 volume  0.10065E-02 ppm1      7.986 ppm2      7.700 CV     1
 ASSI {  681}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.300     0.700     0.700 peak   681 spectrum    1 weight  0.10000E+01 volume  0.92283E-02 ppm1      7.599 ppm2      1.255 CV     1
 ASSI {  682}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   682 spectrum    1 weight  0.10000E+01 volume  0.28214E-02 ppm1      7.593 ppm2      4.443 CV     1
 ASSI {  684}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA1 ))
      2.900     1.100     1.100 peak   684 spectrum    1 weight  0.10000E+01 volume  0.17066E-02 ppm1      7.593 ppm2      3.575 CV     1
 ASSI {  685}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      4.100     2.100     1.900 peak   685 spectrum    1 weight  0.10000E+01 volume  0.12630E-02 ppm1      7.593 ppm2      1.044 CV     1
 ASSI {  687}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.000     1.200     1.200 peak   687 spectrum    1 weight  0.10000E+01 volume  0.25402E-02 ppm1      7.992 ppm2      1.911 CV     1
 ASSI {  711}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.900     1.900     1.900 peak   711 spectrum    1 weight  0.10000E+01 volume  0.84715E-03 ppm1      8.860 ppm2      7.536 CV     1
 ASSI {  717}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.500     1.500     1.500 peak   717 spectrum    1 weight  0.10000E+01 volume  0.92612E-03 ppm1      8.860 ppm2      2.193 CV     1
 ASSI {  726}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.700     1.700     1.700 peak   726 spectrum    1 weight  0.10000E+01 volume  0.98782E-03 ppm1      9.036 ppm2      1.677 CV     1
 ASSI {  756}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.800     0.900     0.900 peak   756 spectrum    1 weight  0.10000E+01 volume  0.31827E-02 ppm1      7.517 ppm2      2.685 CV     1
 ASSI {  791}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      4.200     2.200     1.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.98373E-03 ppm1      7.916 ppm2      1.279 CV     1
 ASSI {  792}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.400     1.400     1.400 peak   792 spectrum    1 weight  0.10000E+01 volume  0.80042E-03 ppm1      7.921 ppm2      4.068 CV     1
 ASSI {  803}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      3.000     1.200     1.200 peak   803 spectrum    1 weight  0.10000E+01 volume  0.23642E-02 ppm1      8.133 ppm2      0.880 CV     1
 ASSI {  811}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      2.400     2.400     3.600 peak   811 spectrum    1 weight  0.10000E+01 volume  0.20161E-02 ppm1      8.133 ppm2      1.091 CV     1
 ASSI {  825}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.700     1.700     1.700 peak   825 spectrum    1 weight  0.10000E+01 volume  0.93424E-03 ppm1      7.699 ppm2      2.286 CV     1
 ASSI {  838}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.300     2.300     1.700 peak   838 spectrum    1 weight  0.10000E+01 volume  0.86967E-03 ppm1      7.699 ppm2      8.872 CV     1
 ASSI {  839}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.500     0.800     0.800 peak   839 spectrum    1 weight  0.10000E+01 volume  0.36316E-02 ppm1      7.699 ppm2      5.193 CV     1
 ASSI {  840}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD2%)
      3.400     1.500     1.500 peak   840 spectrum    1 weight  0.10000E+01 volume  0.24237E-02 ppm1      7.699 ppm2      0.435 CV     1
 OR {  840}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI {  870}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      1.900     0.500     0.500 peak   870 spectrum    1 weight  0.10000E+01 volume  0.37544E-02 ppm1      8.420 ppm2      4.958 CV     1
 ASSI {  871}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      3.700     1.700     1.700 peak   871 spectrum    1 weight  0.10000E+01 volume  0.15304E-02 ppm1      8.420 ppm2      1.232 CV     1
 ASSI {  881}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   881 spectrum    1 weight  0.10000E+01 volume  0.25157E-02 ppm1      8.420 ppm2      4.349 CV     1
 ASSI {  887}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HB% )
      2.300     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.76431E-02 ppm1      8.420 ppm2      1.021 CV     1
 ASSI {  888}
   (( segid "    " and resid 25   and name HE1 ))
   (  segid "    " and resid 38   and name HE% )
      3.200     3.200     2.800 peak   888 spectrum    1 weight  0.10000E+01 volume  0.38023E-02 ppm1      9.658 ppm2      6.763 CV     1
 ASSI {  909}
   (( segid "    " and resid 33   and name HE1 ))
   (( segid "    " and resid 11   and name HA  ))
      4.000     2.000     2.000 peak   909 spectrum    1 weight  0.10000E+01 volume  0.15628E-02 ppm1      9.928 ppm2      5.661 CV     1
 ASSI {  912}
   (( segid "    " and resid 33   and name HE1 ))
   (( segid "    " and resid 33   and name HZ2 ))
      2.500     0.800     0.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.61536E-02 ppm1      9.928 ppm2      7.232 CV     1
 ASSI {    6}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 25   and name HZ3 ))
      2.100     2.100     3.900 peak     6 spectrum    1 weight  0.10000E+01 volume  0.14929E-01 ppm1      6.971 ppm2      6.782 CV     1
 ASSI {   14}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.300     2.300     3.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.92569E-02 ppm1      2.883 ppm2      2.693 CV     1
 ASSI {   23}
   (( segid "    " and resid 3    and name HA2 ))
   (( segid "    " and resid 5    and name HA  ))
      3.200     3.200     2.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.87482E-02 ppm1      3.860 ppm2      3.691 CV     1
 ASSI {   31}
   (( segid "    " and resid 33   and name HE1 ))
   (( segid "    " and resid 33   and name HD1 ))
      2.400     0.700     0.700 peak    31 spectrum    1 weight  0.10000E+01 volume  0.34326E-02 ppm1      9.925 ppm2      7.124 CV     1
 ASSI {   45}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.200     1.300     1.300 peak    45 spectrum    1 weight  0.10000E+01 volume  0.75205E-03 ppm1      3.860 ppm2      3.760 CV     1
 ASSI {   62}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 39   and name HG2%)
      2.500     2.500     3.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.58780E-02 ppm1      1.932 ppm2      0.724 CV     1
 ASSI {   63}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.300     0.700     0.700 peak    63 spectrum    1 weight  0.10000E+01 volume  0.52884E-02 ppm1      8.086 ppm2      3.979 CV     1
 ASSI {   68}
   (( segid "    " and resid 33   and name HZ2 ))
   (( segid "    " and resid 33   and name HH2 ))
      2.600     0.900     0.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.30412E-02 ppm1      7.231 ppm2      6.713 CV     1
 ASSI {   69}
   (  segid "    " and resid 40   and name HB% )
   (  segid "    " and resid 39   and name HG2%)
      2.900     2.900     3.100 peak    69 spectrum    1 weight  0.10000E+01 volume  0.39247E-02 ppm1      1.290 ppm2      0.697 CV     1
 ASSI {   80}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.500     1.500     1.500 peak    80 spectrum    1 weight  0.10000E+01 volume  0.32172E-02 ppm1      3.936 ppm2      3.623 CV     1
 ASSI {   83}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.200     1.300     1.300 peak    83 spectrum    1 weight  0.10000E+01 volume  0.32150E-02 ppm1      8.072 ppm2      4.115 CV     1
 ASSI {   84}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      3.100     1.200     1.200 peak    84 spectrum    1 weight  0.10000E+01 volume  0.33446E-02 ppm1      8.086 ppm2      1.257 CV     1
 ASSI {   91}
   (  segid "    " and resid 38   and name HD% )
   (  segid "    " and resid 39   and name HG2%)
      3.400     3.400     2.600 peak    91 spectrum    1 weight  0.10000E+01 volume  0.31713E-02 ppm1      6.978 ppm2      0.724 CV     1
 ASSI {  109}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.400     2.400     3.600 peak   109 spectrum    1 weight  0.10000E+01 volume  0.49971E-02 ppm1      8.092 ppm2      4.074 CV     1
 ASSI {  120}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.600     0.800     0.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.41289E-02 ppm1      7.792 ppm2      4.430 CV     1
 ASSI {  131}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.300     0.700     0.700 peak   131 spectrum    1 weight  0.10000E+01 volume  0.57389E-02 ppm1      8.284 ppm2      4.006 CV     1
 ASSI {  143}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 35   and name HG2 ))
      2.200     2.200     3.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.22063E-02 ppm1      1.734 ppm2      1.449 CV     1
 ASSI {  176}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
      5.100     3.300     0.900 peak   176 spectrum    1 weight  0.10000E+01 volume  0.11505E-03 ppm1      3.751 ppm2      3.650 CV     1
 ASSI {  177}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      1.900     0.500     0.500 peak   177 spectrum    1 weight  0.10000E+01 volume  0.20551E-02 ppm1      8.400 ppm2      4.006 CV     1
 ASSI {  188}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.100     1.100 peak   188 spectrum    1 weight  0.10000E+01 volume  0.15415E-02 ppm1      7.504 ppm2      4.129 CV     1
 ASSI {  190}
   (( segid "    " and resid 25   and name HZ3 ))
   (  segid "    " and resid 39   and name HG2%)
      3.800     3.800     2.200 peak   190 spectrum    1 weight  0.10000E+01 volume  0.10818E-02 ppm1      6.773 ppm2      0.724 CV     1
 ASSI {  212}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
      4.500     2.500     1.500 peak   212 spectrum    1 weight  0.10000E+01 volume  0.41640E-03 ppm1      4.811 ppm2      4.621 CV     1
 ASSI {  213}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.200     0.600     0.600 peak   213 spectrum    1 weight  0.10000E+01 volume  0.24587E-02 ppm1      7.709 ppm2      4.895 CV     1
 ASSI {  221}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HB% )
      4.100     2.100     1.900 peak   221 spectrum    1 weight  0.10000E+01 volume  0.15371E-02 ppm1      8.092 ppm2      1.312 CV     1
 ASSI {  236}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.300     0.700     0.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.26791E-02 ppm1      8.113 ppm2      3.432 CV     1
 ASSI {  248}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.000     1.100     1.100 peak   248 spectrum    1 weight  0.10000E+01 volume  0.15013E-02 ppm1      8.154 ppm2      4.416 CV     1
 ASSI {  262}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      2.700     0.900     0.900 peak   262 spectrum    1 weight  0.10000E+01 volume  0.19977E-02 ppm1      8.086 ppm2      3.678 CV     1
 ASSI {  266}
   (( segid "    " and resid 7    and name HG2 ))
   (  segid "    " and resid 23   and name HG2%)
      4.100     2.100     1.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.25855E-03 ppm1      1.078 ppm2      0.902 CV     1
 ASSI {  280}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      3.000     1.100     1.100 peak   280 spectrum    1 weight  0.10000E+01 volume  0.92431E-03 ppm1      8.092 ppm2      3.869 CV     1
 ASSI {  311}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.100     1.200     1.200 peak   311 spectrum    1 weight  0.10000E+01 volume  0.14234E-02 ppm1      8.147 ppm2      2.529 CV     1
 ASSI {  319}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 8    and name HG2%)
      3.900     1.900     1.900 peak   319 spectrum    1 weight  0.10000E+01 volume  0.69385E-04 ppm1      0.873 ppm2      0.697 CV     1
 ASSI {  324}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 34   and name HB  ))
      3.600     1.700     1.700 peak   324 spectrum    1 weight  0.10000E+01 volume  0.16901E-02 ppm1      6.978 ppm2      1.968 CV     1
 ASSI {  370}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.600     2.600     1.400 peak   370 spectrum    1 weight  0.10000E+01 volume  0.14359E-03 ppm1      7.901 ppm2      7.807 CV     1
 ASSI {  371}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HD1 ))
      4.300     2.300     1.700 peak   371 spectrum    1 weight  0.10000E+01 volume  0.57893E-03 ppm1      8.393 ppm2      7.124 CV     1
 ASSI {  407}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.000     1.100     1.100 peak   407 spectrum    1 weight  0.10000E+01 volume  0.10581E-02 ppm1      7.511 ppm2      4.238 CV     1
 ASSI {  411}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.13345E-02 ppm1      8.879 ppm2      5.647 CV     1
 ASSI {  415}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 14   and name HB% )
      2.400     2.400     3.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.11005E-02 ppm1      1.631 ppm2      1.025 CV     1
 ASSI {  426}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      3.500     1.500     1.500 peak   426 spectrum    1 weight  0.10000E+01 volume  0.38107E-03 ppm1      4.995 ppm2      4.799 CV     1
 ASSI {  436}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.800     1.000     1.000 peak   436 spectrum    1 weight  0.10000E+01 volume  0.15288E-02 ppm1      9.029 ppm2      4.826 CV     1
 ASSI {  441}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.800     1.000     1.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.14346E-02 ppm1      8.851 ppm2      3.664 CV     1
 ASSI {  447}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     2.900     3.100 peak   447 spectrum    1 weight  0.10000E+01 volume  0.42924E-03 ppm1      8.284 ppm2      4.826 CV     1
 ASSI {  470}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 34   and name HB  ))
      5.000     3.100     1.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.33058E-03 ppm1      4.653 ppm2      1.968 CV     1
 ASSI {  471}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak   471 spectrum    1 weight  0.10000E+01 volume  0.65832E-03 ppm1      8.209 ppm2      4.621 CV     1
 ASSI {  478}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 19   and name HG2 ))
      4.900     3.000     1.100 peak   478 spectrum    1 weight  0.10000E+01 volume  0.25846E-03 ppm1      4.653 ppm2      2.228 CV     1
 ASSI {  486}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HB2 ))
      3.400     1.400     1.400 peak   486 spectrum    1 weight  0.10000E+01 volume  0.64058E-03 ppm1      2.219 ppm2      1.627 CV     1
 ASSI {  487}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 40   and name HB% )
      4.800     2.800     1.200 peak   487 spectrum    1 weight  0.10000E+01 volume  0.23636E-03 ppm1      4.667 ppm2      1.298 CV     1
 ASSI {  494}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 25   and name HH2 ))
      3.600     1.600     1.600 peak   494 spectrum    1 weight  0.10000E+01 volume  0.54447E-03 ppm1      7.682 ppm2      6.891 CV     1
 ASSI {  505}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      4.100     2.100     1.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.71344E-03 ppm1      8.544 ppm2      3.883 CV     1
 ASSI {  554}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.100     1.200     1.200 peak   554 spectrum    1 weight  0.10000E+01 volume  0.94954E-03 ppm1      8.393 ppm2      2.721 CV     1
 ASSI {  564}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      3.700     1.700     1.700 peak   564 spectrum    1 weight  0.10000E+01 volume  0.79055E-03 ppm1      3.648 ppm2      1.996 CV     1
 ASSI {  565}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.300     2.300     1.700 peak   565 spectrum    1 weight  0.10000E+01 volume  0.81168E-04 ppm1      8.065 ppm2      7.971 CV     1
 ASSI {  573}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
      4.900     3.000     1.100 peak   573 spectrum    1 weight  0.10000E+01 volume  0.18232E-03 ppm1      4.968 ppm2      4.621 CV     1
 ASSI {  610}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      3.300     1.300     1.300 peak   610 spectrum    1 weight  0.10000E+01 volume  0.70606E-03 ppm1      8.065 ppm2      2.037 CV     1
 ASSI {  622}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      5.400     3.600     0.600 peak   622 spectrum    1 weight  0.10000E+01 volume  0.20789E-03 ppm1      4.647 ppm2      2.707 CV     1
 ASSI {  625}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      3.400     1.400     1.400 peak   625 spectrum    1 weight  0.10000E+01 volume  0.59353E-03 ppm1      7.238 ppm2      1.873 CV     1
 ASSI {  628}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.400     1.400     1.400 peak   628 spectrum    1 weight  0.10000E+01 volume  0.77313E-03 ppm1      8.434 ppm2      1.640 CV     1
 ASSI {  662}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.600     3.600     2.400 peak   662 spectrum    1 weight  0.10000E+01 volume  0.78417E-03 ppm1      4.004 ppm2      2.201 CV     1
 ASSI {  673}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB% )
      4.700     2.800     1.300 peak   673 spectrum    1 weight  0.10000E+01 volume  0.10714E-03 ppm1      4.182 ppm2      3.869 CV     1
 ASSI {  690}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      3.400     1.500     1.500 peak   690 spectrum    1 weight  0.10000E+01 volume  0.31232E-03 ppm1      8.544 ppm2      3.691 CV     1
 ASSI {  733}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 39   and name HG2%)
      3.400     3.400     2.600 peak   733 spectrum    1 weight  0.10000E+01 volume  0.16141E-03 ppm1      1.720 ppm2      0.724 CV     1
 ASSI {  750}
   (  segid "    " and resid 38   and name HE% )
   (  segid "    " and resid 38   and name HD% )
      1.900     0.400     0.400 peak   750 spectrum    1 weight  0.10000E+01 volume  0.14659E-01 ppm1      6.780 ppm2      7.000 CV     1
 ASSI {  753}
   (  segid "    " and resid 21   and name HE% )
   (  segid "    " and resid 21   and name HD% )
      2.200     0.600     0.600 peak   753 spectrum    1 weight  0.10000E+01 volume  0.54956E-02 ppm1      6.691 ppm2      6.973 CV     1
 ASSI {  760}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 15   and name HA2 ))
      1.600     0.300     0.600 peak   760 spectrum    1 weight  0.10000E+01 volume  0.13961E-01 ppm1      3.676 ppm2      3.869 CV     1
 ASSI {  783}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 25   and name HZ2 ))
      2.500     2.500     3.500 peak   783 spectrum    1 weight  0.10000E+01 volume  0.46336E-02 ppm1      6.957 ppm2      7.411 CV     1
 ASSI {  818}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HB  ))
      2.000     0.500     0.500 peak   818 spectrum    1 weight  0.10000E+01 volume  0.35818E-02 ppm1      1.064 ppm2      4.006 CV     1
 ASSI {  823}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      2.200     0.600     0.600 peak   823 spectrum    1 weight  0.10000E+01 volume  0.50775E-02 ppm1      1.249 ppm2      4.457 CV     1
 ASSI {  828}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      2.600     0.900     0.900 peak   828 spectrum    1 weight  0.10000E+01 volume  0.63772E-02 ppm1      0.674 ppm2      4.061 CV     1
 ASSI {  829}
   (  segid "    " and resid 14   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
      2.500     0.800     0.800 peak   829 spectrum    1 weight  0.10000E+01 volume  0.37023E-02 ppm1      1.009 ppm2      4.361 CV     1
 ASSI {  844}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.600     0.800     0.800 peak   844 spectrum    1 weight  0.10000E+01 volume  0.43676E-02 ppm1      2.883 ppm2      4.457 CV     1
 ASSI {  853}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 34   and name HB  ))
      2.200     0.600     0.600 peak   853 spectrum    1 weight  0.10000E+01 volume  0.31861E-02 ppm1      0.715 ppm2      1.968 CV     1
 ASSI {  876}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.900     0.900 peak   876 spectrum    1 weight  0.10000E+01 volume  0.28828E-02 ppm1      1.679 ppm2      4.006 CV     1
 ASSI {  877}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.400     2.400     3.600 peak   877 spectrum    1 weight  0.10000E+01 volume  0.11858E-02 ppm1      3.436 ppm2      3.787 CV     1
 ASSI {  883}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 8    and name HB  ))
      4.200     2.200     1.800 peak   883 spectrum    1 weight  0.10000E+01 volume  0.14595E-02 ppm1      1.085 ppm2      1.422 CV     1
 ASSI {  884}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      2.000     2.000     4.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.33675E-02 ppm1      0.551 ppm2      1.996 CV     1
 ASSI {  890}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.000     1.100     1.100 peak   890 spectrum    1 weight  0.10000E+01 volume  0.11814E-02 ppm1      2.684 ppm2      4.238 CV     1
 ASSI {  953}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 23   and name HA  ))
      3.300     3.300     2.700 peak   953 spectrum    1 weight  0.10000E+01 volume  0.13745E-02 ppm1      1.864 ppm2      4.006 CV     1
 ASSI {  963}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      3.000     3.000     3.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.24007E-02 ppm1      3.450 ppm2      4.908 CV     1
 ASSI {  965}
   (  segid "    " and resid 9    and name HG2%)
   (  segid "    " and resid 23   and name HG2%)
      2.900     1.100     1.100 peak   965 spectrum    1 weight  0.10000E+01 volume  0.19263E-02 ppm1      0.551 ppm2      0.902 CV     1
 ASSI {  982}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 34   and name HA  ))
      2.200     0.600     0.600 peak   982 spectrum    1 weight  0.10000E+01 volume  0.25813E-02 ppm1      1.960 ppm2      4.908 CV     1
 ASSI { 1016}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 19   and name HB2 ))
      3.700     1.700     1.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.17567E-02 ppm1      1.044 ppm2      1.627 CV     1
 ASSI { 1019}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.600     0.900     0.900 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.13670E-02 ppm1      1.727 ppm2      4.129 CV     1
 ASSI { 1027}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 7    and name HA  ))
      3.300     3.300     2.700 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.19036E-02 ppm1      1.420 ppm2      4.252 CV     1
 ASSI { 1052}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      4.700     2.700     1.300 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.18854E-03 ppm1      3.047 ppm2      3.773 CV     1
 ASSI { 1062}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.500     2.500     3.500 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.10018E-02 ppm1      2.021 ppm2      4.184 CV     1
 ASSI { 1127}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 39   and name HB  ))
      4.500     2.500     1.500 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.46358E-03 ppm1      1.235 ppm2      1.886 CV     1
 ASSI { 1167}
   (( segid "    " and resid 25   and name HZ3 ))
   (( segid "    " and resid 25   and name HZ2 ))
      4.300     2.300     1.700 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.54303E-03 ppm1      6.773 ppm2      7.411 CV     1
 ASSI { 1173}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
      3.500     1.500     1.500 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.90206E-03 ppm1      0.551 ppm2      3.664 CV     1
 ASSI { 1204}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 38   and name HN  ))
      3.400     1.500     1.500 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.80903E-03 ppm1      6.992 ppm2      8.053 CV     1
 ASSI { 1212}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 6    and name HD21))
      4.000     2.000     2.000 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.23083E-03 ppm1      6.821 ppm2      7.096 CV     1
 ASSI { 1243}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      3.800     1.800     1.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.66246E-03 ppm1      3.997 ppm2      4.471 CV     1
 ASSI { 1249}
   (  segid "    " and resid 47   and name HE% )
   (  segid "    " and resid 47   and name HD% )
      4.600     2.700     1.400 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.78152E-04 ppm1      6.650 ppm2      7.014 CV     1
 ASSI { 1289}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
      4.600     2.700     1.400 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.71854E-03 ppm1      1.235 ppm2      4.361 CV     1
 ASSI { 1297}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      6.000     6.000     0.000 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.46304E-04 ppm1      4.230 ppm2      4.649 CV     1
 ASSI { 1314}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 44   and name HB  ))
      4.200     2.200     1.800 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.28927E-03 ppm1      1.242 ppm2      1.914 CV     1
 ASSI {   36}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.400     0.700     0.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.61676E-02 ppm1      7.798 ppm2      3.716 CV     1
 ASSI {   84}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.900     1.100     1.100 peak    84 spectrum    1 weight  0.10000E+01 volume  0.26577E-02 ppm1      8.109 ppm2      4.349 CV     1
 ASSI {   86}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.700     1.700     1.700 peak    86 spectrum    1 weight  0.10000E+01 volume  0.61847E-03 ppm1      8.109 ppm2      7.583 CV     1
 ASSI {   89}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 14   and name HB% )
      2.600     0.900     0.900 peak    89 spectrum    1 weight  0.10000E+01 volume  0.50897E-02 ppm1      8.109 ppm2      1.021 CV     1
 ASSI {   94}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak    94 spectrum    1 weight  0.10000E+01 volume  0.13878E-02 ppm1      8.109 ppm2      8.544 CV     1
 ASSI {   95}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak    95 spectrum    1 weight  0.10000E+01 volume  0.21827E-02 ppm1      8.109 ppm2      8.403 CV     1
 ASSI {  109}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      3.200     1.200     1.200 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12462E-02 ppm1      7.305 ppm2      4.091 CV     1
 ASSI {  115}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      3.700     1.700     1.700 peak   115 spectrum    1 weight  0.10000E+01 volume  0.10387E-02 ppm1      7.305 ppm2      3.763 CV     1
 ASSI {  116}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak   116 spectrum    1 weight  0.10000E+01 volume  0.17588E-02 ppm1      7.305 ppm2      8.849 CV     1
 ASSI {  122}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.500     0.800     0.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.38531E-02 ppm1      8.332 ppm2      7.583 CV     1
 ASSI {  124}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      4.600     2.600     1.400 peak   124 spectrum    1 weight  0.10000E+01 volume  0.91228E-03 ppm1      8.332 ppm2      1.232 CV     1
 ASSI {  128}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA1 ))
      2.300     0.600     0.600 peak   128 spectrum    1 weight  0.10000E+01 volume  0.61165E-02 ppm1      8.332 ppm2      3.575 CV     1
 ASSI {  130}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA2 ))
      2.600     0.800     0.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.87791E-02 ppm1      8.332 ppm2      3.974 CV     1
 ASSI {  132}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.000     1.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.14909E-02 ppm1      8.332 ppm2      8.544 CV     1
 ASSI {  160}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA2 ))
      3.100     1.200     1.200 peak   160 spectrum    1 weight  0.10000E+01 volume  0.27761E-02 ppm1      8.579 ppm2      3.857 CV     1
 ASSI {  167}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.500     2.600     1.500 peak   167 spectrum    1 weight  0.10000E+01 volume  0.91314E-03 ppm1      8.579 ppm2      8.263 CV     1
 ASSI {  230}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA2 ))
      2.900     1.000     1.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.31362E-02 ppm1      8.573 ppm2      3.763 CV     1
 ASSI {  232}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA1 ))
      3.300     1.300     1.300 peak   232 spectrum    1 weight  0.10000E+01 volume  0.32638E-02 ppm1      8.573 ppm2      4.114 CV     1
 ASSI {  258}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.500     1.500     1.500 peak   258 spectrum    1 weight  0.10000E+01 volume  0.76375E-03 ppm1      8.232 ppm2      8.872 CV     1
 ASSI {  260}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      4.100     2.100     1.900 peak   260 spectrum    1 weight  0.10000E+01 volume  0.14208E-02 ppm1      8.232 ppm2      4.888 CV     1
 ASSI {  265}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      2.700     0.900     0.900 peak   265 spectrum    1 weight  0.10000E+01 volume  0.33804E-02 ppm1      7.986 ppm2      3.833 CV     1
 ASSI {  269}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak   269 spectrum    1 weight  0.10000E+01 volume  0.16013E-02 ppm1      7.986 ppm2      8.286 CV     1
 ASSI {  279}
   (( segid "    " and resid 6    and name HD22))
   (( segid "    " and resid 6    and name HB2 ))
      4.400     2.500     1.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.79537E-03 ppm1      7.845 ppm2      2.193 CV     1
 ASSI {  283}
   (( segid "    " and resid 6    and name HD22))
   (( segid "    " and resid 6    and name HD21))
      2.100     0.600     0.600 peak   283 spectrum    1 weight  0.10000E+01 volume  0.37098E-02 ppm1      7.845 ppm2      7.068 CV     1
 ASSI {  302}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 21   and name HD% )
      4.300     2.300     1.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.66243E-03 ppm1      7.710 ppm2      6.974 CV     1
 ASSI {  312}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 38   and name HE% )
      3.400     3.400     2.600 peak   312 spectrum    1 weight  0.10000E+01 volume  0.13135E-02 ppm1      7.710 ppm2      6.763 CV     1
 ASSI {  315}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      2.700     2.700     3.300 peak   315 spectrum    1 weight  0.10000E+01 volume  0.85676E-03 ppm1      7.710 ppm2      0.880 CV     1
 ASSI {  316}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 25   and name HE1 ))
      3.200     1.300     1.300 peak   316 spectrum    1 weight  0.10000E+01 volume  0.18479E-02 ppm1      7.710 ppm2      9.646 CV     1
 ASSI {  333}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 25   and name HH2 ))
      3.500     3.500     2.500 peak   333 spectrum    1 weight  0.10000E+01 volume  0.61021E-03 ppm1      8.309 ppm2      6.880 CV     1
 ASSI {  334}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.200     2.200     3.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.26763E-02 ppm1      8.309 ppm2      3.669 CV     1
 ASSI {  336}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB  ))
      4.600     2.700     1.400 peak   336 spectrum    1 weight  0.10000E+01 volume  0.66997E-03 ppm1      7.558 ppm2      1.419 CV     1
 ASSI {  384}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.700     1.700     1.700 peak   384 spectrum    1 weight  0.10000E+01 volume  0.90298E-03 ppm1      8.168 ppm2      7.677 CV     1
 ASSI {  396}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.500     1.500     1.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.79339E-03 ppm1      8.890 ppm2      1.794 CV     1
 ASSI {  400}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      4.100     2.100     1.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.68294E-03 ppm1      8.890 ppm2      4.958 CV     1
 ASSI {  403}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      4.100     2.100     1.900 peak   403 spectrum    1 weight  0.10000E+01 volume  0.75675E-03 ppm1      8.890 ppm2      5.193 CV     1
 ASSI {  413}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.300     0.600     0.600 peak   413 spectrum    1 weight  0.10000E+01 volume  0.53815E-02 ppm1      8.473 ppm2      4.443 CV     1
 ASSI {  414}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.300     2.300     1.700 peak   414 spectrum    1 weight  0.10000E+01 volume  0.15521E-02 ppm1      8.473 ppm2      2.872 CV     1
 ASSI {  416}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.700     0.900     0.900 peak   416 spectrum    1 weight  0.10000E+01 volume  0.16170E-02 ppm1      8.473 ppm2      3.857 CV     1
 ASSI {  419}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 38   and name HD% )
      4.100     2.100     1.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.66103E-03 ppm1      8.473 ppm2      6.997 CV     1
 ASSI {  429}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.400     1.400     1.400 peak   429 spectrum    1 weight  0.10000E+01 volume  0.23089E-02 ppm1      8.180 ppm2      8.005 CV     1
 ASSI {  436}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.900     1.900     1.900 peak   436 spectrum    1 weight  0.10000E+01 volume  0.14793E-02 ppm1      8.186 ppm2      1.911 CV     1
 ASSI {  437}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.200     1.200     1.200 peak   437 spectrum    1 weight  0.10000E+01 volume  0.26991E-02 ppm1      8.186 ppm2      3.646 CV     1
 ASSI {  438}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.100     0.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.55049E-02 ppm1      8.186 ppm2      3.927 CV     1
 ASSI {  449}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA2 ))
      2.700     0.900     0.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.36906E-02 ppm1      8.285 ppm2      3.857 CV     1
 ASSI {  451}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.900     1.100     1.100 peak   451 spectrum    1 weight  0.10000E+01 volume  0.16382E-02 ppm1      7.921 ppm2      3.716 CV     1
 ASSI {  452}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.700     3.700     2.300 peak   452 spectrum    1 weight  0.10000E+01 volume  0.15207E-02 ppm1      7.921 ppm2      2.685 CV     1
 ASSI {  458}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     1.000     1.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.27602E-02 ppm1      7.921 ppm2      4.443 CV     1
 ASSI {  459}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.700     0.900     0.900 peak   459 spectrum    1 weight  0.10000E+01 volume  0.37430E-02 ppm1      7.921 ppm2      2.872 CV     1
 ASSI {  470}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 25   and name HZ2 ))
      3.700     3.700     2.300 peak   470 spectrum    1 weight  0.10000E+01 volume  0.61992E-03 ppm1      8.285 ppm2      7.396 CV     1
 ASSI {  486}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      3.200     1.300     1.300 peak   486 spectrum    1 weight  0.10000E+01 volume  0.11187E-02 ppm1      7.699 ppm2      1.935 CV     1
 ASSI {  526}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.600     0.800     0.800 peak   526 spectrum    1 weight  0.10000E+01 volume  0.21896E-02 ppm1      8.461 ppm2      4.958 CV     1
 ASSI {  529}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.000     2.000     2.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.68854E-03 ppm1      8.467 ppm2      7.560 CV     1
 ASSI {  538}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
      4.000     2.000     2.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.12057E-02 ppm1      8.461 ppm2      2.216 CV     1
 ASSI {  558}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.600     0.800     0.800 peak   558 spectrum    1 weight  0.10000E+01 volume  0.25015E-02 ppm1      8.860 ppm2      4.044 CV     1
 ASSI {  607}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.300     1.300     1.300 peak   607 spectrum    1 weight  0.10000E+01 volume  0.14850E-02 ppm1      8.221 ppm2      4.372 CV     1
 ASSI {  618}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.500     0.800     0.800 peak   618 spectrum    1 weight  0.10000E+01 volume  0.38517E-02 ppm1      8.045 ppm2      3.060 CV     1
 ASSI {  621}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      3.500     1.500     1.500 peak   621 spectrum    1 weight  0.10000E+01 volume  0.19570E-02 ppm1      8.045 ppm2      7.232 CV     1
 ASSI {  626}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 34   and name HB  ))
      3.100     1.200     1.200 peak   626 spectrum    1 weight  0.10000E+01 volume  0.14824E-02 ppm1      8.051 ppm2      1.958 CV     1
 ASSI {  635}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.300     0.700     0.700 peak   635 spectrum    1 weight  0.10000E+01 volume  0.66536E-02 ppm1      8.098 ppm2      4.138 CV     1
 ASSI {  639}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     0.900     0.900 peak   639 spectrum    1 weight  0.10000E+01 volume  0.26136E-02 ppm1      8.115 ppm2      7.513 CV     1
 ASSI {  649}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.800     1.800     1.800 peak   649 spectrum    1 weight  0.10000E+01 volume  0.10622E-02 ppm1      8.121 ppm2      3.646 CV     1
 ASSI {  676}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.200     1.300     1.300 peak   676 spectrum    1 weight  0.10000E+01 volume  0.83888E-03 ppm1      7.986 ppm2      7.700 CV     1
 ASSI {  681}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.300     0.700     0.700 peak   681 spectrum    1 weight  0.10000E+01 volume  0.76913E-02 ppm1      7.599 ppm2      1.255 CV     1
 ASSI {  682}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.600     0.800     0.800 peak   682 spectrum    1 weight  0.10000E+01 volume  0.23516E-02 ppm1      7.593 ppm2      4.443 CV     1
 ASSI {  684}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA1 ))
      3.000     1.100     1.100 peak   684 spectrum    1 weight  0.10000E+01 volume  0.14223E-02 ppm1      7.593 ppm2      3.575 CV     1
 ASSI {  685}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 13   and name HG1 ))
      4.100     2.100     1.900 peak   685 spectrum    1 weight  0.10000E+01 volume  0.10527E-02 ppm1      7.593 ppm2      1.044 CV     1
 ASSI {  687}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.100     1.200     1.200 peak   687 spectrum    1 weight  0.10000E+01 volume  0.21172E-02 ppm1      7.992 ppm2      1.911 CV     1
 ASSI {  711}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      3.400     1.500     1.500 peak   711 spectrum    1 weight  0.10000E+01 volume  0.70606E-03 ppm1      8.860 ppm2      7.536 CV     1
 ASSI {  717}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.400     1.500     1.500 peak   717 spectrum    1 weight  0.10000E+01 volume  0.77188E-03 ppm1      8.860 ppm2      2.193 CV     1
 ASSI {  726}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.700     1.700     1.700 peak   726 spectrum    1 weight  0.10000E+01 volume  0.82334E-03 ppm1      9.036 ppm2      1.677 CV     1
 ASSI {  756}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.800     0.900     0.900 peak   756 spectrum    1 weight  0.10000E+01 volume  0.26526E-02 ppm1      7.517 ppm2      2.685 CV     1
 ASSI {  791}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 41   and name HB% )
      4.200     2.200     1.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.81990E-03 ppm1      7.916 ppm2      1.279 CV     1
 ASSI {  792}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.100     1.200     1.200 peak   792 spectrum    1 weight  0.10000E+01 volume  0.66712E-03 ppm1      7.921 ppm2      4.068 CV     1
 ASSI {  797}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.700     1.700     1.700 peak   797 spectrum    1 weight  0.10000E+01 volume  0.10158E-02 ppm1      8.139 ppm2      7.677 CV     1
 ASSI {  803}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      3.100     1.200     1.200 peak   803 spectrum    1 weight  0.10000E+01 volume  0.19704E-02 ppm1      8.133 ppm2      0.880 CV     1
 ASSI {  811}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      2.900     2.900     3.100 peak   811 spectrum    1 weight  0.10000E+01 volume  0.16803E-02 ppm1      8.133 ppm2      1.091 CV     1
 ASSI {  818}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      3.300     1.400     1.400 peak   818 spectrum    1 weight  0.10000E+01 volume  0.98763E-03 ppm1      7.699 ppm2      7.278 CV     1
 ASSI {  825}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.800     1.800     1.800 peak   825 spectrum    1 weight  0.10000E+01 volume  0.77866E-03 ppm1      7.699 ppm2      2.286 CV     1
 ASSI {  838}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.500     2.500     1.500 peak   838 spectrum    1 weight  0.10000E+01 volume  0.72481E-03 ppm1      7.699 ppm2      8.872 CV     1
 ASSI {  839}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.900     0.900 peak   839 spectrum    1 weight  0.10000E+01 volume  0.30267E-02 ppm1      7.699 ppm2      5.193 CV     1
 ASSI {  840}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD1%)
      3.500     1.600     1.600 peak   840 spectrum    1 weight  0.10000E+01 volume  0.20200E-02 ppm1      7.699 ppm2      0.435 CV     1
 ASSI {  870}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.300     0.700     0.700 peak   870 spectrum    1 weight  0.10000E+01 volume  0.31292E-02 ppm1      8.420 ppm2      4.958 CV     1
 ASSI {  871}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      3.800     1.800     1.800 peak   871 spectrum    1 weight  0.10000E+01 volume  0.12756E-02 ppm1      8.420 ppm2      1.232 CV     1
 ASSI {  879}
   (( segid "    " and resid 25   and name HE1 ))
   (  segid "    " and resid 21   and name HD% )
      3.700     3.700     2.300 peak   879 spectrum    1 weight  0.10000E+01 volume  0.18630E-02 ppm1      9.658 ppm2      6.974 CV     1
 ASSI {  881}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.800     1.000     1.000 peak   881 spectrum    1 weight  0.10000E+01 volume  0.20967E-02 ppm1      8.420 ppm2      4.349 CV     1
 ASSI {  887}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HB% )
      2.400     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.63704E-02 ppm1      8.420 ppm2      1.021 CV     1
 ASSI {  888}
   (( segid "    " and resid 25   and name HE1 ))
   (  segid "    " and resid 38   and name HE% )
      3.000     3.000     3.000 peak   888 spectrum    1 weight  0.10000E+01 volume  0.31691E-02 ppm1      9.658 ppm2      6.763 CV     1
 ASSI {  909}
   (( segid "    " and resid 33   and name HE1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.800     1.800     1.800 peak   909 spectrum    1 weight  0.10000E+01 volume  0.13025E-02 ppm1      9.928 ppm2      5.661 CV     1
 ASSI {  912}
   (( segid "    " and resid 33   and name HE1 ))
   (( segid "    " and resid 33   and name HZ2 ))
      2.600     0.800     0.800 peak   912 spectrum    1 weight  0.10000E+01 volume  0.51286E-02 ppm1      9.928 ppm2      7.232 CV     1
 ASSI {    6}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 25   and name HZ3 ))
      2.500     2.500     3.500 peak     6 spectrum    1 weight  0.10000E+01 volume  0.12620E-01 ppm1      6.971 ppm2      6.782 CV     1
 ASSI {   14}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.600     2.600     3.400 peak    14 spectrum    1 weight  0.10000E+01 volume  0.78254E-02 ppm1      2.883 ppm2      2.693 CV     1
 ASSI {   23}
   (( segid "    " and resid 3    and name HA2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.900     2.900     3.100 peak    23 spectrum    1 weight  0.10000E+01 volume  0.73954E-02 ppm1      3.860 ppm2      3.691 CV     1
 ASSI {   31}
   (( segid "    " and resid 33   and name HE1 ))
   (( segid "    " and resid 33   and name HD1 ))
      2.500     0.800     0.800 peak    31 spectrum    1 weight  0.10000E+01 volume  0.29017E-02 ppm1      9.925 ppm2      7.124 CV     1
 ASSI {   45}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.200     1.300     1.300 peak    45 spectrum    1 weight  0.10000E+01 volume  0.63573E-03 ppm1      3.860 ppm2      3.760 CV     1
 ASSI {   62}
   (( segid "    " and resid 44   and name HB  ))
   (  segid "    " and resid 39   and name HG2%)
      3.200     3.200     2.800 peak    62 spectrum    1 weight  0.10000E+01 volume  0.49687E-02 ppm1      1.932 ppm2      0.724 CV     1
 ASSI {   63}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.200     0.600     0.600 peak    63 spectrum    1 weight  0.10000E+01 volume  0.44705E-02 ppm1      8.086 ppm2      3.979 CV     1
 ASSI {   68}
   (( segid "    " and resid 33   and name HZ2 ))
   (( segid "    " and resid 33   and name HH2 ))
      2.700     0.900     0.900 peak    68 spectrum    1 weight  0.10000E+01 volume  0.25708E-02 ppm1      7.231 ppm2      6.713 CV     1
 ASSI {   69}
   (  segid "    " and resid 40   and name HB% )
   (  segid "    " and resid 39   and name HG2%)
      3.200     1.300     1.300 peak    69 spectrum    1 weight  0.10000E+01 volume  0.33177E-02 ppm1      1.290 ppm2      0.697 CV     1
 ASSI {   75}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      1.900     1.900     4.100 peak    75 spectrum    1 weight  0.10000E+01 volume  0.41401E-02 ppm1      8.448 ppm2      4.471 CV     1
 ASSI {   80}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.900     1.900     1.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.27196E-02 ppm1      3.936 ppm2      3.623 CV     1
 ASSI {   83}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.900     2.900     3.100 peak    83 spectrum    1 weight  0.10000E+01 volume  0.27177E-02 ppm1      8.072 ppm2      4.115 CV     1
 ASSI {   84}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      3.200     3.200     2.800 peak    84 spectrum    1 weight  0.10000E+01 volume  0.28273E-02 ppm1      8.086 ppm2      1.257 CV     1
 ASSI {   91}
   (  segid "    " and resid 38   and name HD% )
   (  segid "    " and resid 39   and name HG2%)
      3.400     3.400     2.600 peak    91 spectrum    1 weight  0.10000E+01 volume  0.26808E-02 ppm1      6.978 ppm2      0.724 CV     1
 ASSI {  109}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.300     2.300     3.700 peak   109 spectrum    1 weight  0.10000E+01 volume  0.42242E-02 ppm1      8.092 ppm2      4.074 CV     1
 ASSI {  120}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     0.800     0.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.34903E-02 ppm1      7.792 ppm2      4.430 CV     1
 ASSI {  131}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.300     0.600     0.600 peak   131 spectrum    1 weight  0.10000E+01 volume  0.48512E-02 ppm1      8.284 ppm2      4.006 CV     1
 ASSI {  176}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
      5.000     3.100     1.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.97254E-04 ppm1      3.751 ppm2      3.650 CV     1
 ASSI {  177}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB  ))
      2.100     0.600     0.600 peak   177 spectrum    1 weight  0.10000E+01 volume  0.17372E-02 ppm1      8.400 ppm2      4.006 CV     1
 ASSI {  188}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.100     1.100 peak   188 spectrum    1 weight  0.10000E+01 volume  0.13031E-02 ppm1      7.504 ppm2      4.129 CV     1
 ASSI {  190}
   (( segid "    " and resid 25   and name HZ3 ))
   (  segid "    " and resid 39   and name HG2%)
      3.200     3.200     2.800 peak   190 spectrum    1 weight  0.10000E+01 volume  0.91445E-03 ppm1      6.773 ppm2      0.724 CV     1
 ASSI {  213}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.300     0.700     0.700 peak   213 spectrum    1 weight  0.10000E+01 volume  0.20784E-02 ppm1      7.709 ppm2      4.895 CV     1
 ASSI {  221}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 40   and name HB% )
      3.900     1.900     1.900 peak   221 spectrum    1 weight  0.10000E+01 volume  0.12994E-02 ppm1      8.092 ppm2      1.312 CV     1
 ASSI {  236}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.300     0.700     0.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.22648E-02 ppm1      8.113 ppm2      3.432 CV     1
 ASSI {  248}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.000     1.100     1.100 peak   248 spectrum    1 weight  0.10000E+01 volume  0.12692E-02 ppm1      8.154 ppm2      4.416 CV     1
 ASSI {  262}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      3.000     1.100     1.100 peak   262 spectrum    1 weight  0.10000E+01 volume  0.16888E-02 ppm1      8.086 ppm2      3.678 CV     1
 ASSI {  266}
   (( segid "    " and resid 7    and name HG2 ))
   (  segid "    " and resid 23   and name HG2%)
      4.400     2.500     1.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.21856E-03 ppm1      1.078 ppm2      0.902 CV     1
 ASSI {  280}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      3.100     1.200     1.200 peak   280 spectrum    1 weight  0.10000E+01 volume  0.78137E-03 ppm1      8.092 ppm2      3.869 CV     1
 ASSI {  295}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   295 spectrum    1 weight  0.10000E+01 volume  0.13641E-02 ppm1      6.985 ppm2      4.238 CV     1
 ASSI {  303}
   (( segid "    " and resid 25   and name HZ3 ))
   (( segid "    " and resid 31   and name HA  ))
      3.800     3.800     2.200 peak   303 spectrum    1 weight  0.10000E+01 volume  0.13785E-02 ppm1      6.800 ppm2      4.881 CV     1
 ASSI {  309}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 39   and name HG2%)
      3.500     1.600     1.600 peak   309 spectrum    1 weight  0.10000E+01 volume  0.99107E-03 ppm1      3.942 ppm2      0.724 CV     1
 ASSI {  311}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.300     1.300     1.300 peak   311 spectrum    1 weight  0.10000E+01 volume  0.12032E-02 ppm1      8.147 ppm2      2.529 CV     1
 ASSI {  319}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 8    and name HG2%)
      3.900     1.900     1.900 peak   319 spectrum    1 weight  0.10000E+01 volume  0.58653E-04 ppm1      0.873 ppm2      0.697 CV     1
 ASSI {  324}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 34   and name HB  ))
      3.400     3.400     2.600 peak   324 spectrum    1 weight  0.10000E+01 volume  0.14287E-02 ppm1      6.978 ppm2      1.968 CV     1
 ASSI {  342}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 39   and name HB  ))
      3.500     3.500     2.500 peak   342 spectrum    1 weight  0.10000E+01 volume  0.21820E-02 ppm1      4.018 ppm2      1.873 CV     1
 ASSI {  370}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.700     2.800     1.300 peak   370 spectrum    1 weight  0.10000E+01 volume  0.12138E-03 ppm1      7.901 ppm2      7.807 CV     1
 ASSI {  371}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HD1 ))
      4.300     2.300     1.700 peak   371 spectrum    1 weight  0.10000E+01 volume  0.48937E-03 ppm1      8.393 ppm2      7.124 CV     1
 ASSI {  389}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      3.800     3.800     2.200 peak   389 spectrum    1 weight  0.10000E+01 volume  0.82410E-03 ppm1      3.642 ppm2      0.560 CV     1
 ASSI {  407}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.200     1.300     1.300 peak   407 spectrum    1 weight  0.10000E+01 volume  0.89448E-03 ppm1      7.511 ppm2      4.238 CV     1
 ASSI {  411}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.600     0.900     0.900 peak   411 spectrum    1 weight  0.10000E+01 volume  0.11281E-02 ppm1      8.879 ppm2      5.647 CV     1
 ASSI {  415}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 14   and name HB% )
      3.600     1.600     1.600 peak   415 spectrum    1 weight  0.10000E+01 volume  0.93026E-03 ppm1      1.631 ppm2      1.025 CV     1
 ASSI {  419}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      4.400     2.400     1.600 peak   419 spectrum    1 weight  0.10000E+01 volume  0.40249E-03 ppm1      4.640 ppm2      3.842 CV     1
 ASSI {  426}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      3.600     1.600     1.600 peak   426 spectrum    1 weight  0.10000E+01 volume  0.32213E-03 ppm1      4.995 ppm2      4.799 CV     1
 ASSI {  436}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.000     1.100     1.100 peak   436 spectrum    1 weight  0.10000E+01 volume  0.12923E-02 ppm1      9.029 ppm2      4.826 CV     1
 ASSI {  439}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.300     2.400     1.700 peak   439 spectrum    1 weight  0.10000E+01 volume  0.25155E-03 ppm1      4.667 ppm2      3.760 CV     1
 ASSI {  441}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.000     1.100     1.100 peak   441 spectrum    1 weight  0.10000E+01 volume  0.12127E-02 ppm1      8.851 ppm2      3.664 CV     1
 ASSI {  447}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     2.900     3.100 peak   447 spectrum    1 weight  0.10000E+01 volume  0.36286E-03 ppm1      8.284 ppm2      4.826 CV     1
 ASSI {  466}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      5.600     3.900     0.400 peak   466 spectrum    1 weight  0.10000E+01 volume  0.12720E-03 ppm1      4.653 ppm2      3.062 CV     1
 ASSI {  470}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 34   and name HB  ))
      4.000     2.000     2.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.27945E-03 ppm1      4.653 ppm2      1.968 CV     1
 ASSI {  471}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.400     1.400 peak   471 spectrum    1 weight  0.10000E+01 volume  0.55649E-03 ppm1      8.209 ppm2      4.621 CV     1
 ASSI {  478}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 19   and name HG2 ))
      4.900     3.000     1.100 peak   478 spectrum    1 weight  0.10000E+01 volume  0.21849E-03 ppm1      4.653 ppm2      2.228 CV     1
 ASSI {  486}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HB2 ))
      3.500     1.500     1.500 peak   486 spectrum    1 weight  0.10000E+01 volume  0.54154E-03 ppm1      2.219 ppm2      1.627 CV     1
 ASSI {  494}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 25   and name HH2 ))
      3.700     1.700     1.700 peak   494 spectrum    1 weight  0.10000E+01 volume  0.46023E-03 ppm1      7.682 ppm2      6.891 CV     1
 ASSI {  505}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
      3.600     1.600     1.600 peak   505 spectrum    1 weight  0.10000E+01 volume  0.60311E-03 ppm1      8.544 ppm2      3.883 CV     1
 ASSI {  554}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.300     1.300     1.300 peak   554 spectrum    1 weight  0.10000E+01 volume  0.80269E-03 ppm1      8.393 ppm2      2.721 CV     1
 ASSI {  564}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      2.600     2.600     3.400 peak   564 spectrum    1 weight  0.10000E+01 volume  0.66830E-03 ppm1      3.648 ppm2      1.996 CV     1
 ASSI {  565}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      5.200     3.300     0.800 peak   565 spectrum    1 weight  0.10000E+01 volume  0.68614E-04 ppm1      8.065 ppm2      7.971 CV     1
 ASSI {  573}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
      5.000     3.100     1.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.15413E-03 ppm1      4.968 ppm2      4.621 CV     1
 ASSI {  622}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      5.800     4.100     0.200 peak   622 spectrum    1 weight  0.10000E+01 volume  0.17574E-03 ppm1      4.647 ppm2      2.707 CV     1
 ASSI {  625}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB  ))
      3.400     1.400     1.400 peak   625 spectrum    1 weight  0.10000E+01 volume  0.50174E-03 ppm1      7.238 ppm2      1.873 CV     1
 ASSI {  628}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.300     1.400     1.400 peak   628 spectrum    1 weight  0.10000E+01 volume  0.65353E-03 ppm1      8.434 ppm2      1.640 CV     1
 ASSI {  640}
   (( segid "    " and resid 25   and name HH2 ))
   (( segid "    " and resid 33   and name HB2 ))
      5.500     3.700     0.500 peak   640 spectrum    1 weight  0.10000E+01 volume  0.28612E-03 ppm1      7.395 ppm2      2.721 CV     1
 ASSI {  662}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.600     1.600     1.600 peak   662 spectrum    1 weight  0.10000E+01 volume  0.66288E-03 ppm1      4.004 ppm2      2.201 CV     1
 ASSI {  690}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      3.700     1.700     1.700 peak   690 spectrum    1 weight  0.10000E+01 volume  0.26401E-03 ppm1      8.544 ppm2      3.691 CV     1
 ASSI {  733}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 39   and name HG2%)
      3.400     3.400     2.600 peak   733 spectrum    1 weight  0.10000E+01 volume  0.13645E-03 ppm1      1.720 ppm2      0.724 CV     1
 ASSI {  750}
   (  segid "    " and resid 38   and name HE% )
   (  segid "    " and resid 38   and name HD% )
      1.900     0.400     0.400 peak   750 spectrum    1 weight  0.10000E+01 volume  0.12392E-01 ppm1      6.780 ppm2      7.000 CV     1
 ASSI {  753}
   (  segid "    " and resid 21   and name HE% )
   (  segid "    " and resid 21   and name HD% )
      2.200     0.600     0.600 peak   753 spectrum    1 weight  0.10000E+01 volume  0.46457E-02 ppm1      6.691 ppm2      6.973 CV     1
 ASSI {  760}
   (( segid "    " and resid 15   and name HA1 ))
   (( segid "    " and resid 15   and name HA2 ))
      1.600     0.300     0.600 peak   760 spectrum    1 weight  0.10000E+01 volume  0.11802E-01 ppm1      3.676 ppm2      3.869 CV     1
 ASSI {  783}
   (  segid "    " and resid 21   and name HD% )
   (( segid "    " and resid 25   and name HZ2 ))
      2.400     2.400     3.600 peak   783 spectrum    1 weight  0.10000E+01 volume  0.39170E-02 ppm1      6.957 ppm2      7.411 CV     1
 ASSI {  816}
   (  segid "    " and resid 38   and name HE% )
   (( segid "    " and resid 47   and name HN  ))
      2.500     2.500     3.500 peak   816 spectrum    1 weight  0.10000E+01 volume  0.14767E-02 ppm1      6.793 ppm2      7.493 CV     1
 ASSI {  818}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 13   and name HB  ))
      2.000     0.500     0.500 peak   818 spectrum    1 weight  0.10000E+01 volume  0.30278E-02 ppm1      1.064 ppm2      4.006 CV     1
 ASSI {  823}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      2.000     0.500     0.500 peak   823 spectrum    1 weight  0.10000E+01 volume  0.42922E-02 ppm1      1.249 ppm2      4.457 CV     1
 ASSI {  828}
   (  segid "    " and resid 8    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
      2.700     0.900     0.900 peak   828 spectrum    1 weight  0.10000E+01 volume  0.53910E-02 ppm1      0.674 ppm2      4.061 CV     1
 ASSI {  829}
   (  segid "    " and resid 14   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
      2.500     0.800     0.800 peak   829 spectrum    1 weight  0.10000E+01 volume  0.31298E-02 ppm1      1.009 ppm2      4.361 CV     1
 ASSI {  844}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.500     0.800     0.800 peak   844 spectrum    1 weight  0.10000E+01 volume  0.36921E-02 ppm1      2.883 ppm2      4.457 CV     1
 ASSI {  853}
   (  segid "    " and resid 39   and name HG2%)
   (( segid "    " and resid 34   and name HB  ))
      3.100     1.200     1.200 peak   853 spectrum    1 weight  0.10000E+01 volume  0.26933E-02 ppm1      0.715 ppm2      1.968 CV     1
 ASSI {  876}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   876 spectrum    1 weight  0.10000E+01 volume  0.24369E-02 ppm1      1.679 ppm2      4.006 CV     1
 ASSI {  877}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.000     2.000     2.000 peak   877 spectrum    1 weight  0.10000E+01 volume  0.10024E-02 ppm1      3.436 ppm2      3.787 CV     1
 ASSI {  883}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 8    and name HB  ))
      3.200     1.300     1.300 peak   883 spectrum    1 weight  0.10000E+01 volume  0.12338E-02 ppm1      1.085 ppm2      1.422 CV     1
 ASSI {  884}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      2.000     2.000     4.000 peak   884 spectrum    1 weight  0.10000E+01 volume  0.28467E-02 ppm1      0.551 ppm2      1.996 CV     1
 ASSI {  885}
   (( segid "    " and resid 13   and name HG1 ))
   (  segid "    " and resid 18   and name HB% )
      3.300     1.400     1.400 peak   885 spectrum    1 weight  0.10000E+01 volume  0.35731E-03 ppm1      1.030 ppm2      1.230 CV     1
 ASSI {  890}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.100     1.200     1.200 peak   890 spectrum    1 weight  0.10000E+01 volume  0.99865E-03 ppm1      2.684 ppm2      4.238 CV     1
 ASSI {  963}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      3.200     3.200     2.800 peak   963 spectrum    1 weight  0.10000E+01 volume  0.20294E-02 ppm1      3.450 ppm2      4.908 CV     1
 ASSI {  965}
   (  segid "    " and resid 9    and name HG2%)
   (  segid "    " and resid 23   and name HG2%)
      3.000     3.000     3.000 peak   965 spectrum    1 weight  0.10000E+01 volume  0.16283E-02 ppm1      0.551 ppm2      0.902 CV     1
 ASSI {  982}
   (( segid "    " and resid 34   and name HB  ))
   (( segid "    " and resid 34   and name HA  ))
      2.500     0.800     0.800 peak   982 spectrum    1 weight  0.10000E+01 volume  0.21821E-02 ppm1      1.960 ppm2      4.908 CV     1
 ASSI { 1016}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 19   and name HB2 ))
      3.500     1.500     1.500 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.14849E-02 ppm1      1.044 ppm2      1.627 CV     1
 ASSI { 1019}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      3.100     1.200     1.200 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.11556E-02 ppm1      1.727 ppm2      4.129 CV     1
 ASSI { 1027}
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 7    and name HA  ))
      2.200     2.200     3.800 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.16092E-02 ppm1      1.420 ppm2      4.252 CV     1
 ASSI { 1052}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      5.300     3.600     0.700 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.15938E-03 ppm1      3.047 ppm2      3.773 CV     1
 ASSI { 1075}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.000     1.000 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.11375E-02 ppm1      1.748 ppm2      4.061 CV     1
 ASSI { 1108}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      6.000     4.500     0.000 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.10244E-03 ppm1      4.653 ppm2      5.182 CV     1
 ASSI { 1127}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 39   and name HB  ))
      4.500     2.500     1.500 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.39188E-03 ppm1      1.235 ppm2      1.886 CV     1
 ASSI { 1167}
   (( segid "    " and resid 25   and name HZ3 ))
   (( segid "    " and resid 25   and name HZ2 ))
      4.500     2.500     1.500 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.45905E-03 ppm1      6.773 ppm2      7.411 CV     1
 ASSI { 1204}
   (  segid "    " and resid 38   and name HD% )
   (( segid "    " and resid 38   and name HN  ))
      3.700     1.700     1.700 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.68393E-03 ppm1      6.992 ppm2      8.053 CV     1
 ASSI { 1210}
   (( segid "    " and resid 13   and name HG1 ))
   (( segid "    " and resid 35   and name HB2 ))
      4.600     2.600     1.400 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.59331E-03 ppm1      1.044 ppm2      2.721 CV     1
 ASSI { 1243}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 18   and name HA  ))
      3.600     1.600     1.600 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.56002E-03 ppm1      3.997 ppm2      4.471 CV     1
 ASSI { 1249}
   (  segid "    " and resid 47   and name HE% )
   (  segid "    " and resid 47   and name HD% )
      4.600     2.700     1.400 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.66066E-04 ppm1      6.650 ppm2      7.014 CV     1
 ASSI { 1289}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 14   and name HA  ))
      4.600     2.700     1.400 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.60741E-03 ppm1      1.235 ppm2      4.361 CV     1
 ASSI { 1297}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      5.200     3.400     0.800 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.39143E-04 ppm1      4.230 ppm2      4.649 CV     1
 ASSI { 1306}
   (( segid "    " and resid 39   and name HB  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.500     3.500     2.500 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.91666E-03 ppm1      1.891 ppm2      2.707 CV     1
 ASSI { 1314}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 44   and name HB  ))
      4.400     2.400     1.600 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.24453E-03 ppm1      1.242 ppm2      1.914 CV     1
 ASSI { 1337}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      4.300     2.400     1.700 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.51846E-03 ppm1      1.755 ppm2      4.238 CV     1
 ASSI { 1345}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      5.600     4.000     0.400 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.79903E-04 ppm1      3.778 ppm2      4.238 CV     1
!modified chromo1 noe constraint table 121504
!G3
 assign (resid    3 and  name HA#   )(resid    3 and  name HN   ) 3.0 1.2 1.0
 assign (resid    2 and  name HA1   )(resid    3 and  name HN   ) 4.0 2.2 0.5

!E4
 assign (resid    4 and  name HB#   )(resid    4 and  name HN   ) 3.5 1.7 1.0
 assign (resid    4 and  name HA    )(resid    4 and  name HN   ) 4.0 2.2 0.5
 assign (resid    4 and  name HG#   )(resid    4 and  name HN   ) 3.5 1.7 1.0
 assign (resid    3 and  name HA    )(resid    4 and  name HN   ) 2.5 0.7 1.0
 assign (resid    5 and  name HG*   )(resid    4 and  name HN   ) 5.0 3.2 1.5
 assign (resid    3 and  name HN    )(resid    4 and  name HN   ) 4.0 2.2 0.5
 assign (resid   25 and  name HZ2   )(resid    4 and  name HN   ) 5.0 3.2 0.5
 assign (resid   24 and  name HB#   )(resid    4 and  name HN   ) 6.5 4.7 1.0

!V5
 
 assign (resid    5 and  name HA    )(resid    5 and  name HN   ) 4.0 2.2 0.5
 assign (resid    4 and  name HA    )(resid    5 and  name HN   ) 4.0 2.2 0.5 
 assign (resid    5 and  name HB    )(resid    5 and  name HN   ) 4.0 2.2 0.5
 assign (resid    5 and  name HG*   )(resid    5 and  name HN   ) 4.0 2.2 1.5
 assign (resid    4 and  name HB#   )(resid    5 and  name HN   ) 4.0 2.2 1.0
 assign (resid    4 and  name HG#   )(resid    5 and  name HN   ) 5.0 3.2 1.0
 assign (resid    4 and  name HN    )(resid    5 and  name HN   ) 5.5 3.7 0.5
 
 
!N6
 assign (resid    5 and  name HA    )(resid    6 and  name HN   ) 3.0 1.2 0.5
 assign (resid    6 and  name HA    )(resid    6 and  name HN   ) 4.5 2.7 0.5
 assign (resid    6 and  name HB#   )(resid    6 and  name HN   ) 4.0 2.2 1.0
 assign (resid    5 and  name HB    )(resid    6 and  name HN   ) 4.0 2.2 1.0
 assign (resid    5 and  name HG*   )(resid    6 and  name HN   ) 4.0 2.2 1.5
 assign (resid    6 and  name HD#   )(resid   24 and  name HB#  ) 4.0 2.2 1.0
 assign (resid    6 and  name HD#   )(resid   24 and  name HG#  ) 4.0 2.2 1.0
 assign (resid    6 and  name HB#   )(resid    6 and  name HD#  ) 4.0 2.2 1.0
 assign (resid    4 and  name HB#   )(resid    6 and  name HN   ) 4.5 2.7 1.0
 assign (resid   24 and  name HB#   )(resid    6 and  name HN   ) 6.0 4.2 1.0
 assign (resid    6 and  name HD#   )(resid   24 and  name HA   ) 4.0 2.2 0.5
!K7
 assign (resid    6 and  name HA    )(resid    7 and  name HN   ) 5.0 3.2 0.5
 assign (resid    7 and  name HA    )(resid    7 and  name HN   ) 4.0 2.2 0.5
 assign (resid    7 and  name HB#   )(resid    7 and  name HN   ) 4.0 2.2 1.0
 assign (resid    7 and  name HG#   )(resid    7 and  name HN   ) 5.0 3.2 1.0
 assign (resid    6 and  name HB#   )(resid    7 and  name HN   ) 4.5 2.7 1.0
 assign (resid    6 and  name HN    )(resid    7 and  name HN   ) 4.0 2.2 0.5
 assign (resid   24 and  name HG#   )(resid    7 and  name HN   ) 5.0 3.2 1.0
 assign (resid    5 and  name HG*   )(resid    7 and  name HN   ) 5.0 3.2 1.5
 assign (resid   23 and  name HN    )(resid    7 and  name HN   ) 6.5 4.7 0.5
!I8
 assign (resid    7 and  name HA    )(resid    8 and  name HN   ) 3.0 1.2 0.5
 assign (resid    8 and  name HA    )(resid    8 and  name HN   ) 4.5 2.7 0.5
 assign (resid    8 and  name HB    )(resid    8 and  name HN   ) 3.5 1.7 0.5
 assign (resid    8 and  name HG*   )(resid    8 and  name HN   ) 4.0 2.2 1.5
 assign (resid    7 and  name HB#   )(resid    8 and  name HN   ) 5.0 3.2 1.0
 assign (resid   23 and  name HG*   )(resid    8 and  name HN   ) 4.5 2.7 1.5
 assign (resid   22 and  name HD*   )(resid    8 and  name HN   ) 6.0 4.2 1.5
 assign (resid    7 and  name HN    )(resid    8 and  name HN   ) 6.0 4.2 0.5
 
!I9
 assign (resid    8 and  name HA    )(resid    9 and  name HN   ) 3.0 1.2 0.5
 assign (resid    9 and  name HA    )(resid    9 and  name HN   ) 5.0 3.2 0.5
 assign (resid    9 and  name HB    )(resid    9 and  name HN   ) 4.5 2.7 0.5
 assign (resid    9 and  name HG*   )(resid    9 and  name HN   ) 4.0 2.2 0.5
 assign (resid    8 and  name HG*   )(resid    9 and  name HN   ) 6.0 3.2 1.5
 assign (resid    9 and  name HD*   )(resid    9 and  name HN   ) 4.0 2.2 1.5
 assign (resid   23 and  name HN    )(resid    9 and  name HN   ) 6.5 4.7 0.5
 assign (resid   22 and  name HD*   )(resid    9 and  name HN   ) 6.0 4.2 1.5
 
!G10
 assign (resid    9 and  name HA    )(resid   10 and  name HN   ) 4.0 2.2 0.5
 assign (resid   10 and  name HA#   )(resid   10 and  name HN   ) 3.8 2.0 0.5
 assign (resid    8 and  name HG*   )(resid   10 and  name HN   ) 6.0 4.2 1.5
 assign (resid    9 and  name HN    )(resid   10 and  name HN   ) 4.0 2.2 0.5
 assign (resid   21 and  name HA    )(resid   10 and  name HN   ) 6.5 4.7 0.5
 assign (resid   22 and  name HN    )(resid   10 and  name HN   ) 5.0 3.2 0.5
 assign (resid   11 and  name HN    )(resid   10 and  name HN   ) 6.0 4.2 0.5
 assign (resid   21 and  name HD#   )(resid   10 and  name HN   ) 6.0 4.2 2.0
 assign (resid   24 and  name HB#   )(resid   10 and  name HN   ) 5.5 3.7 1.0
 assign (resid    8 and  name HD#   )(resid   10 and  name HN   ) 4.0 2.2 1.0
 assign (resid   22 and  name HA    )(resid   10 and  name HA   ) 5.5 3.7 0.5
!S11
 assign (resid   10 and  name HA#   )(resid   11 and  name HN   ) 3.0 1.2 1.0 
 assign (resid   11 and  name HA    )(resid   11 and  name HN   ) 5.0 3.2 0.5
 assign (resid   11 and  name HB#   )(resid   11 and  name HN   ) 4.0 2.2 1.0
 assign (resid   21 and  name HA    )(resid   11 and  name HN   ) 6.0 4.2 0.5
 assign (resid   21 and  name HE#   )(resid   11 and  name HA   ) 4.0 2.2 2.0
 assign (resid   21 and  name HD#   )(resid   11 and  name HA   ) 4.5 2.7 2.0
 assign (resid   21 and  name HA    )(resid   11 and  name HA   ) 6.0 4.2 0.5
 assign (resid   21 and  name HE#   )(resid   11 and  name HN   ) 5.5 3.7 2.0
 assign (resid   21 and  name HE#   )(resid   11 and  name HA   ) 3.5 1.7 2.0
 assign (resid   21 and  name HD#   )(resid   11 and  name HA   ) 4.0 2.2 2.0
 assign (resid   33 and  name HH2   )(resid   11 and  name HN   ) 5.0 3.2 0.5
 assign (resid   21 and  name HD#   )(resid   11 and  name HN   ) 6.5 4.7 2.0
 assign (resid   22 and  name HN    )(resid   11 and  name HN   ) 6.0 4.2 0.5
 assign (resid   12 and  name HN    )(resid   11 and  name HN   ) 6.0 4.2 0.5
 assign (resid   11 and  name HB#   )(resid   25 and  name HH2  ) 4.0 2.2 1.0
 assign (resid   11 and  name HB#   )(resid   25 and  name HZ3  ) 4.0 2.2 1.0
!R12
 assign (resid   11 and  name HA    )(resid   12 and  name HN   ) 3.0 1.2 0.5
 assign (resid   12 and  name HA    )(resid   12 and  name HN   ) 4.5 2.7 0.5
 assign (resid   11 and  name HB#   )(resid   12 and  name HN   ) 3.7 1.9 1.0
 assign (resid   12 and  name HB#   )(resid   12 and  name HN   ) 4.0 2.2 1.0
 assign (resid   12 and  name HG#   )(resid   12 and  name HN   ) 5.0 3.2 1.0
 assign (resid   21 and  name HE#   )(resid   12 and  name HN   ) 4.0 2.2 2.0
 assign (resid   21 and  name HD#   )(resid   12 and  name HN   ) 5.0 3.2 2.0
 assign (resid   33 and  name HH2   )(resid   12 and  name HN   ) 6.0 4.2 0.5
 assign (resid   21 and  name HA    )(resid   12 and  name HN   ) 5.0 3.2 0.5
 assign (resid   19 and  name HA    )(resid   12 and  name HN   ) 5.0 3.2 0.5
 assign (resid   21 and  name HE#   )(resid   12 and  name HN   ) 4.0 2.2 2.0
 assign (resid   21 and  name HN    )(resid   12 and  name HN   ) 4.0 2.2 0.5
 assign (resid   13 and  name HN    )(resid   12 and  name HN   ) 5.5 3.7 0.5
 assign (resid   20 and  name HB#   )(resid   12 and  name HN   ) 5.5 3.7 1.0
 
!T13
 assign (resid   12 and  name HA    )(resid   13 and  name HN   ) 3.5 1.7 0.5
 assign (resid   13 and  name HA    )(resid   13 and  name HN   ) 4.5 2.7 0.5
 assign (resid   13 and  name HB    )(resid   13 and  name HN   ) 4.0 2.2 0.5
 assign (resid   13 and  name HG*   )(resid   13 and  name HN   ) 4.0 2.2 1.5
 assign (resid   12 and  name HB#   )(resid   13 and  name HN   ) 4.0 2.2 1.0
 assign (resid   35 and  name HB#   )(resid   13 and  name HN   ) 5.0 3.2 1.0
 assign (resid   12 and  name HG#   )(resid   13 and  name HN   ) 4.0 2.2 1.0
 assign (resid   20 and  name HN    )(resid   13 and  name HN   ) 5.5 3.7 0.5
 assign (resid   34 and  name HG#   )(resid   13 and  name HN   ) 5.0 3.2 1.5
 assign (resid   14 and  name HN    )(resid   13 and  name HN   ) 5.0 3.2 0.5
 assign (resid   34 and  name HA    )(resid   13 and  name HN   ) 5.5 3.7 0.5
 assign (resid   19 and  name HA    )(resid   13 and  name HA   ) 3.0 1.2 0.5
 assign (resid   19 and  name HA    )(resid   13 and  name HB   ) 5.0 3.2 0.5
!A14
 assign (resid   13 and  name HA    )(resid   14 and  name HN   ) 3.0 1.2 0.5
 assign (resid   14 and  name HA    )(resid   14 and  name HN   ) 4.0 2.2 0.5
 assign (resid   14 and  name HB*   )(resid   14 and  name HN   ) 3.5 1.7 1.5
 assign (resid   19 and  name HA    )(resid   14 and  name HN   ) 4.0 2.2 0.5
 assign (resid   13 and  name HB    )(resid   14 and  name HN   ) 4.0 2.2 0.5
 assign (resid   18 and  name HN    )(resid   14 and  name HN   ) 4.5 2.7 0.5
 assign (resid   18 and  name HB*   )(resid   14 and  name HN   ) 4.0 2.2 1.5
 assign (resid   20 and  name HN    )(resid   14 and  name HN   ) 5.0 3.2 0.5
 assign (resid   20 and  name HG#   )(resid   14 and  name HN   ) 5.0 3.2 1.0
 assign (resid   20 and  name HB#   )(resid   14 and  name HN   ) 5.5 3.7 1.0
 assign (resid   34 and  name HG#   )(resid   14 and  name HN   ) 5.0 3.2 1.5
!G15
 assign (resid   14 and  name HA    )(resid   15 and  name HN   ) 3.5 1.7 0.5
 assign (resid   15 and  name HA#   )(resid   15 and  name HN   ) 3.5 1.7 1.0
 assign (resid   14 and  name HB*   )(resid   15 and  name HN   ) 3.0 1.2 1.5
 assign (resid   14 and  name HN    )(resid   15 and  name HN   ) 4.5 2.7 0.5
 assign (resid   18 and  name HB*   )(resid   15 and  name HN   ) 4.0 2.2 1.5
 assign (resid   18 and  name HN    )(resid   15 and  name HN   ) 5.0 3.2 0.5
 assign (resid   15 and  name HN    )(resid   16 and  name HN   ) 4.5 2.7 0.5
 assign (resid   15 and  name HN    )(resid   14 and  name HN   ) 4.5 2.7 0.5
 assign (resid   15 and  name HN    )(resid   16 and  name HB#  ) 6.5 4.7 1.0
 assign (resid   15 and  name HN    )(resid   19 and  name HB#  ) 5.0 3.2 1.0
 assign (resid   15 and  name HN    )(resid   35 and  name HG#  ) 5.0 3.2 1.0
!E16
 assign (resid   15 and  name HA#   )(resid   16 and  name HN   ) 3.0 1.2 0.5
 assign (resid   16 and  name HA    )(resid   16 and  name HN   ) 4.0 2.2 0.5
 assign (resid   16 and  name HB#   )(resid   16 and  name HN   ) 4.0 2.2 1.0
 assign (resid   16 and  name HG#   )(resid   16 and  name HN   ) 4.5 2.7 1.0
 assign (resid   16 and  name HN    )(resid   17 and  name HN   ) 4.5 2.7 0.5
 assign (resid   16 and  name HN    )(resid   18 and  name HN   ) 5.0 3.2 0.5
 assign (resid   16 and  name HN    )(resid   17 and  name HN   ) 5.0 3.2 0.5
 assign (resid   14 and  name HB*   )(resid   16 and  name HN   ) 5.0 3.2 1.5
 
!G17
 assign (resid   16 and  name HA    )(resid   17 and  name HN   ) 3.5 1.7 0.5
 assign (resid   17 and  name HA#   )(resid   17 and  name HN   ) 3.5 1.7 0.5
 assign (resid   16 and  name HB#   )(resid   17 and  name HN   ) 4.0 2.2 1.0
 assign (resid   16 and  name HG#   )(resid   17 and  name HN   ) 4.0 2.2 1.0
 assign (resid   18 and  name HB*   )(resid   17 and  name HN   ) 5.5 3.7 1.5
 assign (resid   14 and  name HB*   )(resid   17 and  name HN   ) 4.5 2.7 1.5
 assign (resid   17 and  name HN    )(resid   18 and  name HN   ) 4.0 2.2 0.5
!A18
 assign (resid   17 and  name HA#   )(resid   18 and  name HN   ) 3.0 1.2 0.5
 assign (resid   18 and  name HA    )(resid   18 and  name HN   ) 4.0 2.2 0.5
 assign (resid   18 and  name HB*   )(resid   18 and  name HN   ) 3.5 1.7 1.5
 assign (resid   14 and  name HB*   )(resid   18 and  name HN   ) 4.0 2.2 1.5
 assign (resid   33 and  name HD1   )(resid   18 and  name HN   ) 6.5 4.7 0.5
 assign (resid   19 and  name HB#   )(resid   18 and  name HN   ) 4.0 2.2 1.0
 assign (resid   19 and  name HG#   )(resid   18 and  name HN   ) 4.0 2.2 1.0
 assign (resid   16 and  name HG#   )(resid   18 and  name HN   ) 5.0 3.2 1.0
!M19
 assign (resid   18 and  name HA    )(resid   19 and  name HN   ) 3.0 1.2 0.5
 assign (resid   19 and  name HA    )(resid   19 and  name HN   ) 4.0 2.2 0.5
 assign (resid   19 and  name HB#   )(resid   19 and  name HN   ) 4.0 2.2 1.0
 assign (resid   19 and  name HG#   )(resid   19 and  name HN   ) 3.5 1.7 1.0
 assign (resid   19 and  name HN    )(resid   18 and  name HN   ) 4.5 2.7 0.5
 assign (resid   14 and  name HB*   )(resid   19 and  name HN   ) 4.0 2.2 1.5
 assign (resid   19 and  name HN    )(resid   20 and  name HN   ) 5.0 3.2 0.5
 assign (resid   20 and  name HN    )(resid   36 and  name HN   ) 5.5 3.7 0.5
!E20
 assign (resid   19 and  name HA    )(resid   20 and  name HN   ) 3.0 1.2 0.5
 assign (resid   20 and  name HA    )(resid   20 and  name HN   ) 4.0 2.2 0.5
 assign (resid   20 and  name HA    )(resid   35 and  name HA   ) 4.5 2.7 0.5
 assign (resid   20 and  name HB#   )(resid   20 and  name HN   ) 3.5 1.7 1.0
 assign (resid   20 and  name HG#   )(resid   20 and  name HN   ) 4.0 2.2 1.0
 assign (resid   13 and  name HG*   )(resid   20 and  name HN   ) 4.0 2.2 1.5
 assign (resid   19 and  name HB#   )(resid   20 and  name HN   ) 4.0 2.2 1.0
 assign (resid   19 and  name HG#   )(resid   20 and  name HN   ) 5.0 3.2 1.0
 assign (resid   14 and  name HN    )(resid   20 and  name HN   ) 5.0 3.2 0.5
 assign (resid   12 and  name HN    )(resid   20 and  name HN   ) 4.0 2.2 0.5
 assign (resid   11 and  name HA    )(resid   20 and  name HN   ) 6.0 4.2 0.5
 assign (resid   34 and  name HG#   )(resid   20 and  name HN   ) 5.0 3.2 1.5
 assign (resid   21 and  name HD#   )(resid   20 and  name HN   ) 6.0 3.2 2.0
 assign (resid   20 and  name HN    )(resid   21 and  name HN   ) 5.0 3.2 0.5
!Y21
 assign (resid   20 and  name HA    )(resid   21 and  name HN   ) 3.0 1.2 0.5
 assign (resid   21 and  name HA    )(resid   21 and  name HN   ) 5.0 3.2 0.5
 assign (resid   21 and  name HB#   )(resid   21 and  name HN   ) 4.0 2.2 1.0
 assign (resid   20 and  name HB#   )(resid   21 and  name HN   ) 4.5 2.7 1.0
 assign (resid   20 and  name HG#   )(resid   21 and  name HN   ) 3.8 2.0 1.0
 assign (resid   21 and  name HA    )(resid   21 and  name HD#  ) 4.0 2.2 2.0
 assign (resid   21 and  name HN    )(resid   21 and  name HD#  ) 5.0 3.2 2.0
 assign (resid   21 and  name HA    )(resid   21 and  name HE#  ) 4.5 2.7 2.0
 assign (resid   21 and  name HB#   )(resid   21 and  name HD#  ) 4.0 2.2 2.0
 assign (resid   21 and  name HB#   )(resid   21 and  name HE#  ) 5.0 3.2 2.0
 assign (resid   21 and  name HN    )(resid   34 and  name HN   ) 5.0 3.2 0.5
 assign (resid   20 and  name HB#   )(resid   21 and  name HD#  ) 4.5 2.7 2.0
 assign (resid   34 and  name HG#   )(resid   21 and  name HN   ) 5.0 3.2 1.5
!L22
 assign (resid   21 and  name HA    )(resid   22 and  name HN   ) 3.0 1.2 0.5
 assign (resid   22 and  name HA    )(resid   22 and  name HN   ) 4.5 2.7 0.5
 assign (resid   22 and  name HB#   )(resid   22 and  name HN   ) 5.0 3.2 1.0
 assign (resid   22 and  name HG#   )(resid   22 and  name HN   ) 4.0 2.2 1.0
 assign (resid   21 and  name HB#   )(resid   22 and  name HN   ) 4.0 2.2 1.0
 assign (resid   21 and  name HE#   )(resid   22 and  name HN   ) 4.5 2.7 2.0
 assign (resid   21 and  name HD#   )(resid   22 and  name HN   ) 4.0 2.2 2.0
 assign (resid   20 and  name HB#   )(resid   22 and  name HN   ) 5.5 3.7 1.0
 assign (resid   11 and  name HA    )(resid   22 and  name HN   ) 5.0 3.2 0.5
 assign (resid   12 and  name HN    )(resid   22 and  name HN   ) 5.5 3.7 0.5
 assign (resid   10 and  name HA#   )(resid   22 and  name HN   ) 5.0 3.2 1.0
 assign (resid   23 and  name HN    )(resid   22 and  name HN   ) 5.5 3.7 0.5
 assign (resid    9 and  name HB    )(resid   22 and  name HN   ) 5.0 3.2 0.5
 assign (resid   22 and  name HA    )(resid   34 and  name HG*  ) 4.5 2.7 2.0
 assign (resid   22 and  name HA    )(resid   32 and  name HN   ) 4.5 2.7 0.5
!I23
 assign (resid   22 and  name HA    )(resid   23 and  name HN   ) 3.0 1.2 0.5
 assign (resid   23 and  name HA    )(resid   23 and  name HN   ) 4.5 2.7 0.5
 assign (resid   23 and  name HB#   )(resid   23 and  name HN   ) 3.5 1.7 1.0
 assign (resid   23 and  name HG#   )(resid   23 and  name HN   ) 4.5 2.7 1.0
 assign (resid   32 and  name HN    )(resid   23 and  name HN   ) 4.5 2.7 0.5
 assign (resid    9 and  name HD*   )(resid   23 and  name HN   ) 4.0 2.2 1.5
 assign (resid   23 and  name HG*   )(resid    9 and  name HN   ) 6.0 4.2 1.5
 assign (resid   33 and  name HA    )(resid   23 and  name HN   ) 6.0 4.2 0.5
 assign (resid   34 and  name HN    )(resid   23 and  name HN   ) 6.5 4.7 0.5
!E24
 assign (resid   23 and  name HA    )(resid   24 and  name HN   ) 4.5 2.7 0.5
 assign (resid   24 and  name HB#   )(resid   24 and  name HN   ) 4.5 2.7 1.0
 assign (resid   24 and  name HA    )(resid   24 and  name HN   ) 4.5 2.7 0.5
 assign (resid   24 and  name HG#   )(resid   24 and  name HN   ) 4.0 2.2 1.0

!W25
 assign (resid   24 and  name HA    )(resid   25 and  name HN   ) 3.0 1.2 0.5
 assign (resid   25 and  name HA    )(resid   25 and  name HN   ) 4.5 2.7 0.5
 assign (resid   25 and  name HB#   )(resid   25 and  name HN   ) 3.5 1.7 1.0
 
!K26
 assign (resid   25 and  name HA    )(resid   26 and  name HN   ) 4.0 2.2 0.5
 assign (resid   26 and  name HA    )(resid   26 and  name HN   ) 4.0 2.2 0.5
 assign (resid   25 and  name HB#   )(resid   26 and  name HN   ) 4.0 2.2 1.0
 assign (resid   26 and  name HB#   )(resid   26 and  name HN   ) 4.0 2.2 1.0
 assign (resid   26 and  name HG#   )(resid   26 and  name HN   ) 4.0 2.2 1.0
 assign (resid   27 and  name HN    )(resid   26 and  name HN   ) 6.0 4.2 0.5
 assign (resid   31 and  name HD#   )(resid   26 and  name HN   ) 6.0 4.2 1.0
 assign (resid   25 and  name HB#   )(resid   26 and  name HN   ) 6.0 4.2 1.0
 
 
!D27
 assign (resid   26 and  name HA    )(resid   27 and  name HN   ) 5.0 3.2 0.5
 assign (resid   27 and  name HA    )(resid   27 and  name HN   ) 3.5 1.7 0.5
 assign (resid   27 and  name HB#   )(resid   27 and  name HN   ) 4.0 2.2 1.0
 assign (resid   26 and  name HG#   )(resid   27 and  name HN   ) 4.5 2.7 1.0
 assign (resid   26 and  name HB#   )(resid   27 and  name HN   ) 4.0 2.2 1.0
 assign (resid   27 and  name HN    )(resid   28 and  name HN   ) 4.0 2.2 0.5
 assign (resid   31 and  name HD1   )(resid   27 and  name HN   ) 4.5 2.7 0.5
 assign (resid   25 and  name HB#   )(resid   27 and  name HN   ) 4.5 2.7 1.0
 assign (resid   25 and  name HZ2   )(resid   27 and  name HN   ) 6.5 4.7 0.5
 
!G28
 assign (resid   27 and  name HA    )(resid   28 and  name HN   ) 4.5 2.7 0.5
 assign (resid   28 and  name HA#   )(resid   28 and  name HN   ) 3.0 1.2 1.0
 assign (resid   27 and  name HB#   )(resid   28 and  name HN   ) 4.0 2.2 1.0
 assign (resid   26 and  name HN    )(resid   28 and  name HN   ) 5.5 3.7 0.5
 assign (resid   25 and  name HB#   )(resid   28 and  name HN   ) 4.0 2.2 1.0
 assign (resid   31 and  name HD#   )(resid   28 and  name HN   ) 4.5 2.7 1.0
!H29
 assign (resid   28 and  name HA#   )(resid   29 and  name HN   ) 4.0 2.2 1.0
 assign (resid   29 and  name HA    )(resid   29 and  name HN   ) 4.0 2.2 0.5
 assign (resid   29 and  name HB#   )(resid   29 and  name HN   ) 3.5 1.7 1.0
 assign (resid   28 and  name HN    )(resid   29 and  name HN   ) 3.5 1.7 0.5
 assign (resid   29 and  name HB#   )(resid   29 and  name HD2  ) 4.0 2.2 1.0
 assign (resid   31 and  name HD#   )(resid   29 and  name HN   ) 4.0 2.2 1.0
 assign (resid   25 and  name HB#   )(resid   29 and  name HN   ) 4.0 2.2 1.0
 assign (resid   27 and  name HB#   )(resid   29 and  name HN   ) 4.5 2.7 1.0
 assign (resid   38 and  name HE#   )(resid   29 and  name HN   ) 5.0 3.2 2.0
 assign (resid   38 and  name HD#   )(resid   29 and  name HN   ) 5.0 3.2 2.0
 assign (resid   25 and  name HZ2   )(resid   29 and  name HN   ) 6.0 4.2 0.5
 assign (resid   29 and  name HN    )(resid   30 and  name HN   ) 5.0 3.2 0.5
!S30
 assign (resid   29 and  name HA    )(resid   30 and  name HN   ) 3.0 1.2 0.5
 assign (resid   30 and  name HA    )(resid   30 and  name HN   ) 4.5 2.7 0.5
 assign (resid   30 and  name HB#   )(resid   30 and  name HN   ) 4.5 2.7 1.0
 assign (resid   29 and  name HN    )(resid   30 and  name HN   ) 5.0 3.2 0.5
 assign (resid   31 and  name HD#   )(resid   30 and  name HN   ) 6.0 4.2 1.0
 assign (resid   29 and  name HB#   )(resid   30 and  name HN   ) 3.0 1.2 1.0
 assign (resid   38 and  name HD#   )(resid   30 and  name HN   ) 4.5 2.7 2.0
 
!S32
 assign (resid   25 and  name HB#   )(resid   29 and  name HN   ) 4.0 2.2 1.0
 assign (resid   31 and  name HA    )(resid   32 and  name HN   ) 3.5 1.7 0.5
 assign (resid   32 and  name HA    )(resid   32 and  name HN   ) 4.5 2.7 0.5
 assign (resid   32 and  name HB#   )(resid   32 and  name HN   ) 4.0 2.2 1.0
 assign (resid   25 and  name HH2   )(resid   32 and  name HN   ) 5.0 3.2 0.5
 assign (resid   33 and  name HN    )(resid   32 and  name HN   ) 5.5 3.7 0.5
 assign (resid   25 and  name HE1   )(resid   32 and  name HN   ) 4.0 2.2 0.5
 assign (resid   23 and  name HG#   )(resid   32 and  name HN   ) 4.5 2.7 1.0
 assign (resid   23 and  name HD#   )(resid   32 and  name HN   ) 5.0 3.2 1.0
 assign (resid   22 and  name HA    )(resid   32 and  name HN   ) 5.5 3.7 0.5
 assign (resid   21 and  name HA    )(resid   32 and  name HN   ) 6.0 4.2 0.5
 assign (resid   38 and  name HE#   )(resid   32 and  name HN   ) 4.0 2.2 2.0
 assign (resid   38 and  name HD#   )(resid   32 and  name HN   ) 6.0 4.2 2.0
 assign (resid   32 and  name HN    )(resid   33 and  name HN   ) 5.0 3.2 0.5
 assign (resid   25 and  name HE1   )(resid   32 and  name HN   ) 3.5 1.7 0.5
 assign (resid   32 and  name HB#   )(resid   25 and  name HH2  ) 4.0 2.2 0.5
 assign (resid   32 and  name HB#   )(resid   25 and  name HZ3  ) 4.5 2.7 0.5
!W33
 assign (resid   32 and  name HA    )(resid   33 and  name HN   ) 3.5 1.7 0.5
 assign (resid   33 and  name HA    )(resid   33 and  name HN   ) 4.0 2.2 0.5
 assign (resid   33 and  name HB#   )(resid   33 and  name HN   ) 4.0 2.2 1.0
 assign (resid   32 and  name HB    )(resid   33 and  name HN   ) 4.0 2.2 0.5
 assign (resid   33 and  name HD1   )(resid   33 and  name HN   ) 4.5 2.7 0.5
 assign (resid   33 and  name HN    )(resid   34 and  name HN   ) 5.0 3.2 0.5
 assign (resid   33 and  name HN    )(resid   33 and  name HE1  ) 6.5 4.7 0.5
 assign (resid   21 and  name HA    )(resid   33 and  name HN   ) 4.5 2.7 0.5
 assign (resid   33 and  name HA    )(resid   25 and  name HH2  ) 4.0 2.2 0.5
 assign (resid   33 and  name HA    )(resid   25 and  name HZ3  ) 4.5 2.7 0.5
 assign (resid   33 and  name HB#   )(resid   25 and  name HH2  ) 5.5 3.7 0.5
!V34
 assign (resid   33 and  name HA    )(resid   34 and  name HN   ) 3.5 1.7 0.5
 assign (resid   34 and  name HA    )(resid   34 and  name HN   ) 4.5 2.7 0.5
 assign (resid   34 and  name HB    )(resid   34 and  name HN   ) 4.5 2.7 0.5
 assign (resid   34 and  name HG*   )(resid   34 and  name HN   ) 4.0 2.2 1.5
 assign (resid   34 and  name HN    )(resid   21 and  name HE#  ) 6.0 4.2 2.0
 assign (resid   33 and  name HB#   )(resid   34 and  name HN   ) 5.0 3.2 1.0
 assign (resid   34 and  name HA    )(resid   35 and  name HD#  ) 4.0 2.2 1.0
 assign (resid   34 and  name HN    )(resid   35 and  name HD#  ) 5.0 3.2 1.0
 assign (resid   21 and  name HD#   )(resid   34 and  name HN   ) 5.0 3.2 2.0
!S36
 assign (resid   35 and  name HA    )(resid   35 and  name HN   ) 4.0 2.2 0.5
 assign (resid   36 and  name HA    )(resid   36 and  name HN   ) 3.5 1.7 0.5
 assign (resid   36 and  name HB#   )(resid   36 and  name HN   ) 4.0 2.2 0.5
 assign (resid   24 and  name HB    )(resid   36 and  name HN   ) 4.0 2.2 1.0
 assign (resid   25 and  name HZ3   )(resid   36 and  name HN   ) 5.0 3.2 0.5
 assign (resid   25 and  name HH1   )(resid   36 and  name HN   ) 5.0 3.2 0.5
 assign (resid   36 and  name HN    )(resid   37 and  name HN   ) 3.5 1.7 0.5
 assign (resid   35 and  name HB#   )(resid   36 and  name HN   ) 4.0 2.2 1.0
 assign (resid   35 and  name HG#   )(resid   36 and  name HN   ) 4.0 2.2 1.0
 assign (resid   34 and  name HB    )(resid   36 and  name HN   ) 4.5 2.7 0.5
 assign (resid   35 and  name HB#   )(resid   36 and  name HN   ) 5.0 3.2 1.0
 assign (resid   35 and  name HG#   )(resid   36 and  name HN   ) 5.0 3.2 1.0
 assign (resid   36 and  name HN    )(resid   19 and  name HN   ) 6.0 4.2 0.5 
 assign (resid   36 and  name HN    )(resid   20 and  name HN   ) 6.5 4.7 0.5
!S37
 assign (resid   36 and  name HA    )(resid   37 and  name HN   ) 4.0 2.2 0.5
 assign (resid   37 and  name HA    )(resid   37 and  name HN   ) 3.5 1.7 0.5
 assign (resid   37 and  name HB#   )(resid   37 and  name HN   ) 4.0 2.2 1.0
 assign (resid   36 and  name HB#   )(resid   37 and  name HN   ) 4.0 2.2 1.0
 assign (resid   35 and  name HB#   )(resid   37 and  name HN   ) 4.0 2.2 1.0
 assign (resid   35 and  name HB#   )(resid   37 and  name HN   ) 4.0 2.2 1.0
 assign (resid   38 and  name HD#   )(resid   37 and  name HN   ) 6.5 4.7 2.0
 assign (resid   37 and  name HN    )(resid   38 and  name HN   ) 5.0 3.2 1.0
 assign (resid   35 and  name HB#   )(resid   37 and  name HN   ) 5.0 3.2 1.0
 assign (resid   35 and  name HG#   )(resid   37 and  name HN   ) 5.0 3.2 1.0
 assign (resid   34 and  name HG*   )(resid   38 and  name HN   ) 5.0 3.2 1.5
!Y38
 assign (resid   37 and  name HA    )(resid   38 and  name HN   ) 4.0 2.2 0.5
 assign (resid   38 and  name HA    )(resid   38 and  name HN   ) 4.0 2.2 0.5
 assign (resid   38 and  name HB#   )(resid   38 and  name HN   ) 4.0 2.2 1.0
 assign (resid   37 and  name HB#   )(resid   38 and  name HN   ) 4.0 2.2 1.0
 assign (resid   38 and  name HA    )(resid   38 and  name HD#  ) 4.0 2.2 2.0
 assign (resid   38 and  name HA    )(resid   38 and  name HE#  ) 5.0 3.2 2.0
 assign (resid   38 and  name HB#   )(resid   38 and  name HD#  ) 4.0 2.2 1.0
 assign (resid   38 and  name HB#   )(resid   38 and  name HE#  ) 5.5 3.7 2.0
 assign (resid   38 and  name HN    )(resid   38 and  name HD#  ) 5.0 3.2 2.0
 assign (resid   38 and  name HN    )(resid   39 and  name HN   ) 4.0 2.2 0.5
 assign (resid   35 and  name HB#   )(resid   38 and  name HN   ) 5.0 3.2 1.0
 assign (resid   34 and  name HB    )(resid   38 and  name HN   ) 5.0 3.2 0.5
 assign (resid   34 and  name HG*   )(resid   38 and  name HN   ) 5.0 3.2 1.5
!I39
 assign (resid   38 and  name HA    )(resid   39 and  name HN   ) 5.0 3.2 0.5
 assign (resid   39 and  name HA    )(resid   39 and  name HN   ) 4.0 2.2 0.5
 assign (resid   39 and  name HB    )(resid   39 and  name HN   ) 4.0 2.2 0.5
 assign (resid   39 and  name HG#   )(resid   39 and  name HN   ) 4.5 2.7 1.0
 assign (resid   38 and  name HB#   )(resid   39 and  name HN   ) 5.0 3.2 1.0
 assign (resid   39 and  name HN    )(resid   40 and  name HN   ) 4.5 2.7 0.5
 assign (resid   41 and  name HB*   )(resid   39 and  name HN   ) 5.0 3.2 1.5
!A40
 assign (resid   39 and  name HA    )(resid   40 and  name HN   ) 4.0 2.2 0.5
 assign (resid   40 and  name HA    )(resid   40 and  name HN   ) 3.5 1.7 0.5
 assign (resid   40 and  name HB*   )(resid   40 and  name HN   ) 3.5 1.7 2.0
 assign (resid   39 and  name HB    )(resid   40 and  name HN   ) 5.0 3.2 0.5
 assign (resid   38 and  name HB#   )(resid   40 and  name HN   ) 6.0 4.2 1.0
!A41
 assign (resid   40 and  name HA    )(resid   41 and  name HN   ) 4.0 2.2 0.5
 assign (resid   41 and  name HA    )(resid   41 and  name HN   ) 4.0 2.2 0.5
 assign (resid   40 and  name HB*   )(resid   41 and  name HN   ) 3.5 1.7 1.5
 assign (resid   41 and  name HB*   )(resid   41 and  name HN   ) 4.0 2.2 1.5
 
!D42
 assign (resid   41 and  name HA    )(resid   42 and  name HN   ) 3.5 1.7 0.5
 assign (resid   42 and  name HA    )(resid   42 and  name HN   ) 4.0 2.2 0.5
 assign (resid   41 and  name HB*   )(resid   42 and  name HN   ) 4.0 2.2 1.5
 assign (resid   42 and  name HB#   )(resid   42 and  name HN   ) 3.5 1.7 1.0
 assign (resid   40 and  name HA    )(resid   42 and  name HN   ) 4.0 2.2 0.5
!V43
 assign (resid   42 and  name HA    )(resid   43 and  name HN   ) 4.0 2.2 0.5
 assign (resid   43 and  name HA    )(resid   43 and  name HN   ) 4.0 2.2 0.5
 assign (resid   43 and  name HB    )(resid   43 and  name HN   ) 4.0 2.2 0.5
 assign (resid   43 and  name HG*   )(resid   43 and  name HN   ) 3.7 1.9 1.5
 assign (resid   42 and  name HB#   )(resid   43 and  name HN   ) 5.0 3.2 1.0
 assign (resid   40 and  name HB*   )(resid   43 and  name HN   ) 5.0 3.2 1.5
 assign (resid   42 and  name HN    )(resid   43 and  name HN   ) 5.0 3.2 0.5
 assign (resid   44 and  name HN    )(resid   43 and  name HN   ) 5.0 3.2 0.5
!V44
 assign (resid   43 and  name HA    )(resid   44 and  name HN   ) 3.5 1.7 0.5
 assign (resid   44 and  name HA    )(resid   44 and  name HN   ) 4.0 2.2 0.5
 assign (resid   44 and  name HB    )(resid   44 and  name HN   ) 4.0 2.2 0.5
 assign (resid   44 and  name HG*   )(resid   44 and  name HN   ) 4.0 2.2 1.5
 assign (resid   45 and  name HN    )(resid   44 and  name HN   ) 5.0 3.2 0.5
!S45
 assign (resid   44 and  name HA    )(resid   45 and  name HN   ) 3.0 1.2 0.5
 assign (resid   45 and  name HA    )(resid   45 and  name HN   ) 4.0 2.2 0.5
 assign (resid   45 and  name HB#   )(resid   45 and  name HN   ) 3.5 1.7 1.0
 assign (resid   44 and  name HG*   )(resid   45 and  name HN   ) 4.0 2.2 1.5
 assign (resid   44 and  name HB    )(resid   45 and  name HN   ) 4.0 2.2 1.0
 assign (resid   47 and  name HD#   )(resid   45 and  name HN   ) 6.5 4.7 2.0
 assign (resid   17 and  name HN    )(resid   45 and  name HN   ) 6.5 4.7 0.5
 assign (resid   35 and  name HB#   )(resid   45 and  name HN   ) 5.0 3.2 1.0
!E46
 assign (resid   45 and  name HA    )(resid   46 and  name HN   ) 3.5 1.7 0.5
 assign (resid   46 and  name HA    )(resid   46 and  name HN   ) 4.0 2.2 0.5
 assign (resid   46 and  name HB#   )(resid   46 and  name HN   ) 4.0 2.2 1.0
 assign (resid   46 and  name HG#   )(resid   46 and  name HN   ) 4.5 2.7 1.0
 assign (resid   45 and  name HB#   )(resid   46 and  name HN   ) 4.0 2.2 0.5
 assign (resid   44 and  name HG*   )(resid   46 and  name HN   ) 4.0 2.2 1.5
 assign (resid   47 and  name HN    )(resid   46 and  name HN   ) 4.0 2.2 0.5
!Y47
 assign (resid   46 and  name HA    )(resid   47 and  name HN   ) 3.0 1.2 0.5
 assign (resid   47 and  name HA    )(resid   47 and  name HN   ) 4.5 2.7 0.5 
 assign (resid   47 and  name HB#   )(resid   47 and  name HN   ) 4.0 2.2 1.0
 assign (resid   47 and  name HB#   )(resid   47 and  name HN   ) 4.0 2.2 1.0
 assign (resid   46 and  name HB#   )(resid   47 and  name HN   ) 4.0 2.2 1.0
 assign (resid   46 and  name HG#   )(resid   47 and  name HN   ) 4.0 2.2 1.0
 assign (resid   44 and  name HG*   )(resid   46 and  name HN   ) 4.0 2.2 1.5
 assign (resid   47 and  name HD#   )(resid   47 and  name HN   ) 4.0 2.2 2.0
 assign (resid   47 and  name HE#   )(resid   47 and  name HN   ) 6.0 4.2 2.0
 assign (resid   47 and  name HB#   )(resid   47 and  name HD#  ) 3.5 1.7 2.0 
 assign (resid   47 and  name HB#   )(resid   47 and  name HE#  ) 6.0 4.2 2.0
 assign (resid   47 and  name HA    )(resid   47 and  name HD#  ) 4.0 2.2 2.0
 assign (resid   47 and  name HA    )(resid   47 and  name HE#  ) 6.5 4.7 2.0 
 
 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1HT       GLY   1 -11.345  -2.647   7.766
    2   2H    GLY   1          2HT       GLY   1 -11.440  -3.296   9.325
    3   3H    GLY   1          3HT       GLY   1  -9.936  -3.133   8.566
    4   1HA   GLY   1          1HA       GLY   1 -11.711  -0.894   9.375
    5   2HA   GLY   1          2HA       GLY   1 -10.274  -1.411  10.243
    6    H    SER   2           H        SER   2 -11.464   0.057   7.283
    7    HA   SER   2           HA       SER   2 -10.487   1.419   5.743
    8   1HB   SER   2          2HB       SER   2  -8.641   2.022   8.066
    9   2HB   SER   2          1HB       SER   2  -8.760   2.981   6.590
   10    HG   SER   2           HG       SER   2 -10.825   3.555   7.137
   11    H    GLY   3           H        GLY   3  -9.830  -1.061   5.192
   12   1HA   GLY   3          2HA       GLY   3  -7.302  -0.840   3.902
   13   2HA   GLY   3          1HA       GLY   3  -7.196  -1.905   5.296
   14    H    GLU   4           H        GLU   4  -6.982  -2.396   2.352
   15    HA   GLU   4           HA       GLU   4  -7.536  -4.011   0.864
   16   1HB   GLU   4          2HB       GLU   4  -7.047  -5.620   2.441
   17   2HB   GLU   4          1HB       GLU   4  -8.391  -5.170   3.485
   18   1HG   GLU   4          2HG       GLU   4  -9.960  -6.244   2.010
   19   2HG   GLU   4          1HG       GLU   4  -8.687  -6.585   0.839
   20    H    VAL   5           H        VAL   5  -9.593  -1.833   1.765
   21    HA   VAL   5           HA       VAL   5 -12.123  -3.012   1.059
   22    HB   VAL   5           HB       VAL   5 -11.402  -0.094   1.355
   23   1HG1  VAL   5          1HG1      VAL   5 -13.426  -0.413   0.052
   24   2HG1  VAL   5          2HG1      VAL   5 -13.823   0.227   1.647
   25   3HG1  VAL   5          3HG1      VAL   5 -14.080  -1.481   1.293
   26   1HG2  VAL   5          1HG2      VAL   5 -10.985  -1.284   3.420
   27   2HG2  VAL   5          2HG2      VAL   5 -12.576  -2.040   3.339
   28   3HG2  VAL   5          3HG2      VAL   5 -12.438  -0.299   3.586
   29    H    ASN   6           H        ASN   6  -9.794  -0.856  -0.472
   30    HA   ASN   6           HA       ASN   6  -9.241  -0.592  -2.668
   31   1HB   ASN   6          2HB       ASN   6 -10.047  -2.902  -3.066
   32   2HB   ASN   6          1HB       ASN   6 -11.657  -2.255  -3.381
   33   1HD2  ASN   6          1HD2      ASN   6  -8.385  -2.487  -4.530
   34   2HD2  ASN   6          2HD2      ASN   6  -8.703  -1.966  -6.146
   35    H    LYS   7           H        LYS   7 -10.611   1.358  -1.268
   36    HA   LYS   7           HA       LYS   7 -12.366   2.526  -3.301
   37   1HB   LYS   7          2HB       LYS   7 -13.471   3.685  -1.447
   38   2HB   LYS   7          1HB       LYS   7 -13.486   1.951  -1.155
   39   1HG   LYS   7          2HG       LYS   7 -11.499   2.224   0.315
   40   2HG   LYS   7          1HG       LYS   7 -11.640   3.969   0.098
   41   1HD   LYS   7          2HD       LYS   7 -13.835   2.227   1.204
   42   2HD   LYS   7          1HD       LYS   7 -12.682   3.121   2.197
   43   1HE   LYS   7          2HE       LYS   7 -13.439   5.213   1.111
   44   2HE   LYS   7          1HE       LYS   7 -14.653   4.284   0.232
   45   1HZ   LYS   7          1HZ       LYS   7 -15.661   3.660   2.323
   46   2HZ   LYS   7          2HZ       LYS   7 -15.564   5.346   2.215
   47   3HZ   LYS   7          3HZ       LYS   7 -14.472   4.498   3.189
   48    H    ILE   8           H        ILE   8 -12.136   5.045  -1.571
   49    HA   ILE   8           HA       ILE   8 -10.278   6.514  -2.885
   50    HB   ILE   8           HB       ILE   8 -11.984   7.254  -1.223
   51   1HG1  ILE   8          2HG1      ILE   8 -10.847   9.275  -0.641
   52   2HG1  ILE   8          1HG1      ILE   8  -9.284   8.466  -0.622
   53   1HG2  ILE   8          1HG2      ILE   8  -9.878   6.446   0.758
   54   2HG2  ILE   8          2HG2      ILE   8 -11.523   5.828   0.621
   55   3HG2  ILE   8          3HG2      ILE   8 -11.248   7.489   1.140
   56   1HD1  ILE   8          1HD1      ILE   8  -9.222   8.335  -2.969
   57   2HD1  ILE   8          2HD1      ILE   8  -9.747   9.971  -2.581
   58   3HD1  ILE   8          3HD1      ILE   8 -10.923   8.770  -3.115
   59    H    ILE   9           H        ILE   9  -8.038   6.854  -2.760
   60    HA   ILE   9           HA       ILE   9  -6.663   5.437  -0.629
   61    HB   ILE   9           HB       ILE   9  -4.927   4.668  -2.131
   62   1HG1  ILE   9          2HG1      ILE   9  -6.648   5.854  -4.321
   63   2HG1  ILE   9          1HG1      ILE   9  -5.067   6.445  -3.816
   64   1HG2  ILE   9          1HG2      ILE   9  -7.210   3.476  -1.729
   65   2HG2  ILE   9          2HG2      ILE   9  -6.047   2.841  -2.894
   66   3HG2  ILE   9          3HG2      ILE   9  -7.433   3.780  -3.452
   67   1HD1  ILE   9          1HD1      ILE   9  -5.542   3.691  -4.918
   68   2HD1  ILE   9          2HD1      ILE   9  -3.994   4.484  -4.623
   69   3HD1  ILE   9          3HD1      ILE   9  -5.062   5.079  -5.896
   70    H    GLY  10           H        GLY  10  -5.236   6.522   0.438
   71   1HA   GLY  10          2HA       GLY  10  -4.059   8.968  -0.680
   72   2HA   GLY  10          1HA       GLY  10  -4.111   8.532   1.036
   73    H    SER  11           H        SER  11  -1.703   9.103  -0.736
   74    HA   SER  11           HA       SER  11  -0.277   6.711  -0.025
   75   1HB   SER  11          2HB       SER  11  -0.475   5.700  -2.006
   76   2HB   SER  11          1HB       SER  11  -1.330   7.086  -2.663
   77    HG   SER  11           HG       SER  11   0.590   7.968  -3.320
   78    H    ARG  12           H        ARG  12   1.283   7.659   1.117
   79    HA   ARG  12           HA       ARG  12   3.302   9.126  -0.335
   80   1HB   ARG  12          2HB       ARG  12   1.716  10.428   1.868
   81   2HB   ARG  12          1HB       ARG  12   3.341  10.955   1.456
   82   1HG   ARG  12          2HG       ARG  12   2.502  11.261  -0.908
   83   2HG   ARG  12          1HG       ARG  12   0.878  11.037  -0.255
   84   1HD   ARG  12          2HD       ARG  12   1.140  12.942   1.189
   85   2HD   ARG  12          1HD       ARG  12   2.832  13.112   0.723
   86    HE   ARG  12           HE       ARG  12   1.318  13.280  -1.600
   87   1HH1  ARG  12          1HH1      ARG  12   1.720  15.051   1.372
   88   2HH1  ARG  12          2HH1      ARG  12   1.327  16.582   0.665
   89   1HH2  ARG  12          1HH2      ARG  12   0.800  15.292  -2.542
   90   2HH2  ARG  12          2HH2      ARG  12   0.803  16.719  -1.560
   91    H    THR  13           H        THR  13   4.933   7.669   0.217
   92    HA   THR  13           HA       THR  13   5.274   7.264   3.093
   93    HB   THR  13           HB       THR  13   6.630   5.327   1.382
   94    HG1  THR  13           1HG      THR  13   4.661   4.136   1.148
   95   1HG2  THR  13          1HG2      THR  13   5.657   3.809   3.153
   96   2HG2  THR  13          2HG2      THR  13   5.090   5.277   3.951
   97   3HG2  THR  13          3HG2      THR  13   6.817   5.017   3.705
   98    H    ALA  14           H        ALA  14   7.583   6.635   0.459
   99    HA   ALA  14           HA       ALA  14   9.301   8.757   1.483
  100   1HB   ALA  14          1HB       ALA  14   9.779   6.841   2.948
  101   2HB   ALA  14          2HB       ALA  14  11.176   7.331   1.988
  102   3HB   ALA  14          3HB       ALA  14  10.249   5.902   1.532
  103    H    GLY  15           H        GLY  15   9.505   5.839  -0.563
  104   1HA   GLY  15          2HA       GLY  15   9.564   6.255  -3.015
  105   2HA   GLY  15          1HA       GLY  15  10.685   7.564  -2.661
  106    H    GLU  16           H        GLU  16  12.187   6.167  -0.668
  107    HA   GLU  16           HA       GLU  16  14.134   4.922  -2.247
  108   1HB   GLU  16          2HB       GLU  16  14.404   5.911   0.083
  109   2HB   GLU  16          1HB       GLU  16  13.698   4.425   0.701
  110   1HG   GLU  16          2HG       GLU  16  15.510   3.128  -0.242
  111   2HG   GLU  16          1HG       GLU  16  16.209   4.585  -0.948
  112    H    GLY  17           H        GLY  17  11.335   3.728  -0.581
  113   1HA   GLY  17          2HA       GLY  17  11.590   1.161  -1.954
  114   2HA   GLY  17          1HA       GLY  17  11.458   1.134  -0.198
  115    H    ALA  18           H        ALA  18   9.646   2.777   0.537
  116    HA   ALA  18           HA       ALA  18   7.203   2.018  -0.899
  117   1HB   ALA  18          1HB       ALA  18   6.057   2.368   1.206
  118   2HB   ALA  18          2HB       ALA  18   7.548   2.970   1.938
  119   3HB   ALA  18          3HB       ALA  18   7.426   1.277   1.445
  120    H    MET  19           H        MET  19   5.545   3.599  -1.254
  121    HA   MET  19           HA       MET  19   5.972   6.313  -0.487
  122   1HB   MET  19          2HB       MET  19   7.349   5.520  -2.770
  123   2HB   MET  19          1HB       MET  19   5.932   6.359  -3.393
  124   1HG   MET  19          2HG       MET  19   7.643   7.531  -1.249
  125   2HG   MET  19          1HG       MET  19   8.036   7.725  -2.954
  126   1HE   MET  19          1HE       MET  19   6.531  11.205  -1.707
  127   2HE   MET  19          2HE       MET  19   7.969  10.411  -2.348
  128   3HE   MET  19          3HE       MET  19   7.422  10.055  -0.710
  129    H    GLU  20           H        GLU  20   3.843   4.242  -0.576
  130    HA   GLU  20           HA       GLU  20   1.730   6.001  -1.455
  131   1HB   GLU  20          2HB       GLU  20   1.905   3.155  -2.375
  132   2HB   GLU  20          1HB       GLU  20   0.542   4.209  -2.670
  133   1HG   GLU  20          2HG       GLU  20   2.607   5.632  -3.733
  134   2HG   GLU  20          1HG       GLU  20   3.119   3.969  -4.052
  135    H    TYR  21           H        TYR  21  -0.506   4.322  -0.877
  136    HA   TYR  21           HA       TYR  21   0.128   3.148   1.582
  137   1HB   TYR  21          2HB       TYR  21   0.191   5.035   2.695
  138   2HB   TYR  21          1HB       TYR  21  -0.786   5.875   1.530
  139    HD1  TYR  21           1HD      TYR  21  -2.228   7.048   2.818
  140    HD2  TYR  21           2HD      TYR  21  -1.807   2.867   3.577
  141    HE1  TYR  21           1HE      TYR  21  -4.097   7.155   4.372
  142    HE2  TYR  21           2HE      TYR  21  -3.684   2.982   5.161
  143    HH   TYR  21           HH       TYR  21  -5.777   5.649   5.364
  144    H    LEU  22           H        LEU  22  -2.674   4.352  -0.053
  145    HA   LEU  22           HA       LEU  22  -4.163   2.365   1.390
  146   1HB   LEU  22          2HB       LEU  22  -4.939   4.759  -0.100
  147   2HB   LEU  22          1HB       LEU  22  -6.114   3.468  -0.022
  148    HG   LEU  22           HG       LEU  22  -4.951   5.048   2.270
  149   1HD1  LEU  22          1HD1      LEU  22  -6.898   6.029   1.177
  150   2HD1  LEU  22          2HD1      LEU  22  -7.305   5.463   2.792
  151   3HD1  LEU  22          3HD1      LEU  22  -7.782   4.521   1.383
  152   1HD2  LEU  22          1HD2      LEU  22  -4.891   2.826   3.090
  153   2HD2  LEU  22          2HD2      LEU  22  -6.445   2.438   2.360
  154   3HD2  LEU  22          3HD2      LEU  22  -6.366   3.549   3.725
  155    H    ILE  23           H        ILE  23  -5.617   1.017   0.698
  156    HA   ILE  23           HA       ILE  23  -5.289  -1.114  -0.490
  157    HB   ILE  23           HB       ILE  23  -7.566  -1.060  -1.631
  158   1HG1  ILE  23          2HG1      ILE  23  -7.291   1.562  -1.708
  159   2HG1  ILE  23          1HG1      ILE  23  -8.861   0.835  -1.489
  160   1HG2  ILE  23          1HG2      ILE  23  -6.765  -0.885   1.168
  161   2HG2  ILE  23          2HG2      ILE  23  -7.784  -2.062   0.343
  162   3HG2  ILE  23          3HG2      ILE  23  -8.467  -0.531   0.880
  163   1HD1  ILE  23          1HD1      ILE  23  -7.389   1.435   0.985
  164   2HD1  ILE  23          2HD1      ILE  23  -9.094   1.645   0.597
  165   3HD1  ILE  23          3HD1      ILE  23  -7.914   2.824   0.034
  166    H    GLU  24           H        GLU  24  -7.095  -0.119  -3.177
  167    HA   GLU  24           HA       GLU  24  -6.639  -0.441  -5.383
  168   1HB   GLU  24          2HB       GLU  24  -5.094   1.709  -4.360
  169   2HB   GLU  24          1HB       GLU  24  -4.086   0.847  -5.514
  170   1HG   GLU  24          2HG       GLU  24  -6.829   1.964  -6.046
  171   2HG   GLU  24          1HG       GLU  24  -5.299   2.655  -6.585
  172    H    TRP  25           H        TRP  25  -5.492  -2.432  -3.416
  173    HA   TRP  25           HA       TRP  25  -3.676  -3.668  -5.312
  174   1HB   TRP  25          2HB       TRP  25  -2.155  -4.302  -3.327
  175   2HB   TRP  25          1HB       TRP  25  -1.990  -2.723  -4.069
  176    HD1  TRP  25           HD       TRP  25  -4.458  -3.759  -1.160
  177    HE1  TRP  25           1HE      TRP  25  -3.928  -2.185   0.835
  178    HE3  TRP  25           3HE      TRP  25  -0.545  -1.091  -3.117
  179    HZ2  TRP  25           2HZ      TRP  25  -2.169  -0.215   1.473
  180    HZ3  TRP  25           3HZ      TRP  25   0.537   0.620  -1.672
  181    HH2  TRP  25           HH       TRP  25  -0.282   1.075   0.534
  182    H    LYS  26           H        LYS  26  -6.375  -4.266  -4.362
  183    HA   LYS  26           HA       LYS  26  -7.638  -5.971  -3.461
  184   1HB   LYS  26          2HB       LYS  26  -5.631  -7.318  -5.254
  185   2HB   LYS  26          1HB       LYS  26  -6.994  -8.177  -4.551
  186   1HG   LYS  26          2HG       LYS  26  -8.509  -6.533  -5.641
  187   2HG   LYS  26          1HG       LYS  26  -7.098  -5.846  -6.450
  188   1HD   LYS  26          2HD       LYS  26  -6.650  -7.972  -7.532
  189   2HD   LYS  26          1HD       LYS  26  -7.992  -8.721  -6.666
  190   1HE   LYS  26          2HE       LYS  26  -8.641  -8.177  -8.943
  191   2HE   LYS  26          1HE       LYS  26  -9.554  -7.204  -7.790
  192   1HZ   LYS  26          1HZ       LYS  26  -8.055  -5.358  -8.219
  193   2HZ   LYS  26          2HZ       LYS  26  -8.786  -5.878  -9.654
  194   3HZ   LYS  26          3HZ       LYS  26  -7.179  -6.293  -9.323
  195    H    ASP  27           H        ASP  27  -5.569  -5.231  -1.642
  196    HA   ASP  27           HA       ASP  27  -4.389  -5.957   0.171
  197   1HB   ASP  27          2HB       ASP  27  -5.615  -7.425   1.611
  198   2HB   ASP  27          1HB       ASP  27  -6.770  -6.424   0.742
  199    H    GLY  28           H        GLY  28  -3.079  -6.876  -2.057
  200   1HA   GLY  28          2HA       GLY  28  -2.666  -9.608  -2.311
  201   2HA   GLY  28          1HA       GLY  28  -1.423  -8.403  -2.598
  202    H    HIS  29           H        HIS  29  -0.769  -7.377  -0.252
  203    HA   HIS  29           HA       HIS  29  -0.309  -9.638   1.557
  204   1HB   HIS  29          2HB       HIS  29   1.809  -7.560   0.810
  205   2HB   HIS  29          1HB       HIS  29   1.996  -8.913   1.930
  206    HD1  HIS  29           1HD      HIS  29   2.138 -11.315   0.891
  207    HD2  HIS  29           2HD      HIS  29   2.119  -8.208  -1.868
  208    HE1  HIS  29           1HE      HIS  29   2.895 -12.337  -1.279
  209    HE2  HIS  29           2HE      HIS  29   2.804 -10.454  -2.951
  210    H    SER  30           H        SER  30  -1.835  -8.905   3.011
  211    HA   SER  30           HA       SER  30  -2.818  -7.552   4.600
  212   1HB   SER  30          2HB       SER  30   0.074  -6.871   5.146
  213   2HB   SER  30          1HB       SER  30  -1.262  -6.877   6.310
  214    HG   SER  30           HG       SER  30  -0.013  -8.782   6.467
  215    HA   PRO  31           HA       PRO  31  -3.219  -3.437   2.435
  216   1HB   PRO  31          2HB       PRO  31  -4.545  -2.726   4.940
  217   2HB   PRO  31          1HB       PRO  31  -5.220  -2.791   3.312
  218   1HG   PRO  31          2HG       PRO  31  -5.333  -4.792   5.446
  219   2HG   PRO  31          1HG       PRO  31  -6.299  -4.678   3.968
  220   1HD   PRO  31          2HD       PRO  31  -4.474  -6.630   4.333
  221   2HD   PRO  31          1HD       PRO  31  -4.784  -5.926   2.728
  222    H    SER  32           H        SER  32  -1.751  -1.756   2.638
  223    HA   SER  32           HA       SER  32  -0.493  -1.309   5.206
  224   1HB   SER  32          2HB       SER  32   1.073  -2.374   2.911
  225   2HB   SER  32          1HB       SER  32   1.757  -1.762   4.422
  226    HG   SER  32           HG       SER  32   1.351  -4.136   4.184
  227    H    TRP  33           H        TRP  33   0.860   0.593   5.357
  228    HA   TRP  33           HA       TRP  33   0.248   2.483   3.212
  229   1HB   TRP  33          2HB       TRP  33   0.207   3.231   5.613
  230   2HB   TRP  33          1HB       TRP  33   1.903   2.792   5.764
  231    HD1  TRP  33           HD       TRP  33   3.479   4.210   3.741
  232    HE1  TRP  33           1HE      TRP  33   3.395   6.745   3.330
  233    HE3  TRP  33           3HE      TRP  33  -1.064   5.256   5.868
  234    HZ2  TRP  33           2HZ      TRP  33   1.631   8.909   3.818
  235    HZ3  TRP  33           3HZ      TRP  33  -1.870   7.582   5.841
  236    HH2  TRP  33           HH       TRP  33  -0.549   9.366   4.822
  237    H    VAL  34           H        VAL  34   1.324   1.653   1.506
  238    HA   VAL  34           HA       VAL  34   4.201   1.832   1.496
  239    HB   VAL  34           HB       VAL  34   3.382  -0.848   0.533
  240   1HG1  VAL  34          1HG1      VAL  34   5.661   0.490   1.672
  241   2HG1  VAL  34          2HG1      VAL  34   5.614  -1.102   0.940
  242   3HG1  VAL  34          3HG1      VAL  34   5.304  -0.917   2.658
  243   1HG2  VAL  34          1HG2      VAL  34   3.212  -0.309   3.472
  244   2HG2  VAL  34          2HG2      VAL  34   3.140  -1.879   2.682
  245   3HG2  VAL  34          3HG2      VAL  34   1.870  -0.694   2.399
  246    HA   PRO  35           HA       PRO  35   3.665   2.608  -2.827
  247   1HB   PRO  35          2HB       PRO  35   5.597   1.407  -4.130
  248   2HB   PRO  35          1HB       PRO  35   5.982   2.489  -2.784
  249   1HG   PRO  35          2HG       PRO  35   5.826  -0.499  -2.825
  250   2HG   PRO  35          1HG       PRO  35   7.076   0.533  -2.116
  251   1HD   PRO  35          2HD       PRO  35   4.973  -0.579  -0.734
  252   2HD   PRO  35          1HD       PRO  35   5.861   0.856  -0.215
  253    H    SER  36           H        SER  36   1.688   1.848  -3.600
  254    HA   SER  36           HA       SER  36   0.209   0.563  -4.774
  255   1HB   SER  36          2HB       SER  36   1.482   1.538  -6.594
  256   2HB   SER  36          1HB       SER  36   2.713   0.285  -6.450
  257    HG   SER  36           HG       SER  36   0.345   0.232  -7.769
  258    H    SER  37           H        SER  37   1.672  -0.819  -2.668
  259    HA   SER  37           HA       SER  37   0.871  -3.443  -3.281
  260   1HB   SER  37          2HB       SER  37   3.847  -3.233  -2.857
  261   2HB   SER  37          1HB       SER  37   2.914  -4.591  -3.477
  262    HG   SER  37           HG       SER  37   3.273  -3.832  -5.385
  263    H    TYR  38           H        TYR  38   3.303  -4.112  -1.298
  264    HA   TYR  38           HA       TYR  38   2.637  -2.922   1.180
  265   1HB   TYR  38          2HB       TYR  38   1.892  -5.597   1.687
  266   2HB   TYR  38          1HB       TYR  38   0.865  -4.180   1.796
  267    HD1  TYR  38           1HD      TYR  38  -1.136  -4.341   0.652
  268    HD2  TYR  38           2HD      TYR  38   2.299  -6.252  -0.953
  269    HE1  TYR  38           1HE      TYR  38  -2.448  -5.034  -1.318
  270    HE2  TYR  38           2HE      TYR  38   0.997  -6.971  -2.919
  271    HH   TYR  38           HH       TYR  38  -1.031  -7.033  -3.879
  272    H    ILE  39           H        ILE  39   4.737  -2.799   1.534
  273    HA   ILE  39           HA       ILE  39   6.375  -5.193   1.180
  274    HB   ILE  39           HB       ILE  39   8.026  -4.002   0.163
  275   1HG1  ILE  39          2HG1      ILE  39   7.182  -1.751   1.941
  276   2HG1  ILE  39          1HG1      ILE  39   8.786  -2.392   1.642
  277   1HG2  ILE  39          1HG2      ILE  39   6.080  -3.862  -1.240
  278   2HG2  ILE  39          2HG2      ILE  39   7.005  -2.368  -1.404
  279   3HG2  ILE  39          3HG2      ILE  39   5.539  -2.403  -0.422
  280   1HD1  ILE  39          1HD1      ILE  39   8.912  -0.315   0.685
  281   2HD1  ILE  39          2HD1      ILE  39   7.254  -0.362   0.110
  282   3HD1  ILE  39          3HD1      ILE  39   8.486  -1.315  -0.704
  283    H    ALA  40           H        ALA  40   5.001  -4.679   3.529
  284    HA   ALA  40           HA       ALA  40   6.659  -3.345   5.421
  285   1HB   ALA  40          1HB       ALA  40   4.194  -3.749   5.555
  286   2HB   ALA  40          2HB       ALA  40   5.106  -4.090   7.029
  287   3HB   ALA  40          3HB       ALA  40   4.569  -5.415   5.993
  288    H    ALA  41           H        ALA  41   8.712  -4.175   5.214
  289    HA   ALA  41           HA       ALA  41   9.801  -5.898   6.907
  290   1HB   ALA  41          1HB       ALA  41  10.106  -8.062   5.612
  291   2HB   ALA  41          2HB       ALA  41   8.771  -7.527   4.591
  292   3HB   ALA  41          3HB       ALA  41   8.513  -7.793   6.315
  293    H    ASP  42           H        ASP  42  10.557  -3.683   5.390
  294    HA   ASP  42           HA       ASP  42  12.266  -2.799   4.171
  295   1HB   ASP  42          2HB       ASP  42  13.593  -3.926   5.915
  296   2HB   ASP  42          1HB       ASP  42  13.632  -5.389   4.934
  297    H    VAL  43           H        VAL  43  11.208  -2.835   2.156
  298    HA   VAL  43           HA       VAL  43  12.546  -4.311   0.130
  299    HB   VAL  43           HB       VAL  43  11.339  -6.229   0.579
  300   1HG1  VAL  43          1HG1      VAL  43   9.264  -4.390   1.584
  301   2HG1  VAL  43          2HG1      VAL  43   9.900  -5.881   2.277
  302   3HG1  VAL  43          3HG1      VAL  43   8.721  -5.949   0.967
  303   1HG2  VAL  43          1HG2      VAL  43  10.966  -5.707  -1.750
  304   2HG2  VAL  43          2HG2      VAL  43   9.540  -4.755  -1.337
  305   3HG2  VAL  43          3HG2      VAL  43   9.541  -6.498  -1.077
  306    H    VAL  44           H        VAL  44  11.366  -3.845  -2.112
  307    HA   VAL  44           HA       VAL  44  10.027  -1.230  -1.881
  308    HB   VAL  44           HB       VAL  44  12.316  -0.829  -2.502
  309   1HG1  VAL  44          1HG1      VAL  44  13.279  -1.740  -4.561
  310   2HG1  VAL  44          2HG1      VAL  44  11.816  -2.690  -4.824
  311   3HG1  VAL  44          3HG1      VAL  44  12.844  -3.020  -3.428
  312   1HG2  VAL  44          1HG2      VAL  44  10.609   0.597  -3.529
  313   2HG2  VAL  44          2HG2      VAL  44  10.507  -0.506  -4.898
  314   3HG2  VAL  44          3HG2      VAL  44  11.996   0.387  -4.594
  315    H    SER  45           H        SER  45   8.283  -0.891  -3.008
  316    HA   SER  45           HA       SER  45   6.571  -1.059  -4.463
  317   1HB   SER  45          2HB       SER  45   8.418  -0.738  -6.091
  318   2HB   SER  45          1HB       SER  45   8.527  -2.490  -6.257
  319    HG   SER  45           HG       SER  45   6.127  -1.059  -6.702
  320    H    GLU  46           H        GLU  46   7.519  -3.650  -2.824
  321    HA   GLU  46           HA       GLU  46   5.163  -5.068  -3.208
  322   1HB   GLU  46          2HB       GLU  46   6.827  -5.469  -5.377
  323   2HB   GLU  46          1HB       GLU  46   7.110  -6.893  -4.385
  324   1HG   GLU  46          2HG       GLU  46   4.706  -7.346  -4.354
  325   2HG   GLU  46          1HG       GLU  46   4.430  -5.925  -5.359
  326    H    TYR  47           H        TYR  47   5.654  -7.607  -2.688
  327    HA   TYR  47           HA       TYR  47   7.680  -7.911  -0.643
  328   1HB   TYR  47          2HB       TYR  47   5.973  -6.949   0.717
  329   2HB   TYR  47          1HB       TYR  47   4.724  -7.957   0.007
  330    HD1  TYR  47           1HD      TYR  47   7.983  -8.356   1.806
  331    HD2  TYR  47           2HD      TYR  47   3.993  -9.735   1.288
  332    HE1  TYR  47           1HE      TYR  47   8.322  -9.990   3.611
  333    HE2  TYR  47           2HE      TYR  47   4.320 -11.375   3.091
  334    HH   TYR  47           HH       TYR  47   6.185 -12.552   4.196
  Start of MODEL    2
    1   1H    GLY   1          1HT       GLY   1 -13.293  -1.016   9.724
    2   2H    GLY   1          2HT       GLY   1 -13.973  -2.512   9.323
    3   3H    GLY   1          3HT       GLY   1 -13.757  -1.333   8.128
    4   1HA   GLY   1          1HA       GLY   1 -11.577  -2.698   9.612
    5   2HA   GLY   1          2HA       GLY   1 -12.078  -3.081   7.972
    6    H    SER   2           H        SER   2 -12.350  -0.747   6.729
    7    HA   SER   2           HA       SER   2 -11.224   0.932   5.689
    8   1HB   SER   2          2HB       SER   2 -11.259   2.029   7.874
    9   2HB   SER   2          1HB       SER   2  -9.806   1.154   8.356
   10    HG   SER   2           HG       SER   2  -8.618   2.467   7.195
   11    H    GLY   3           H        GLY   3 -10.358  -1.605   5.107
   12   1HA   GLY   3          2HA       GLY   3  -7.726  -1.086   4.128
   13   2HA   GLY   3          1HA       GLY   3  -7.698  -2.251   5.442
   14    H    GLU   4           H        GLU   4  -7.028  -2.529   2.560
   15    HA   GLU   4           HA       GLU   4  -7.313  -4.021   0.872
   16   1HB   GLU   4          2HB       GLU   4  -7.108  -6.030   1.791
   17   2HB   GLU   4          1HB       GLU   4  -7.630  -5.366   3.321
   18   1HG   GLU   4          2HG       GLU   4  -9.987  -5.878   2.649
   19   2HG   GLU   4          1HG       GLU   4  -9.336  -6.718   1.243
   20    H    VAL   5           H        VAL   5  -9.680  -2.136   1.712
   21    HA   VAL   5           HA       VAL   5 -11.958  -3.432   0.509
   22    HB   VAL   5           HB       VAL   5 -11.635  -0.583   1.405
   23   1HG1  VAL   5          1HG1      VAL   5 -14.142  -0.809   1.741
   24   2HG1  VAL   5          2HG1      VAL   5 -14.034  -2.314   0.829
   25   3HG1  VAL   5          3HG1      VAL   5 -13.579  -0.789   0.071
   26   1HG2  VAL   5          1HG2      VAL   5 -12.530  -2.990   2.996
   27   2HG2  VAL   5          2HG2      VAL   5 -12.694  -1.317   3.532
   28   3HG2  VAL   5          3HG2      VAL   5 -11.091  -2.009   3.273
   29    H    ASN   6           H        ASN   6  -9.296  -1.882  -0.718
   30    HA   ASN   6           HA       ASN   6  -8.850  -0.450  -2.460
   31   1HB   ASN   6          2HB       ASN   6  -9.048  -2.672  -3.399
   32   2HB   ASN   6          1HB       ASN   6 -10.777  -2.446  -3.649
   33   1HD2  ASN   6          1HD2      ASN   6  -8.049  -2.636  -5.277
   34   2HD2  ASN   6          2HD2      ASN   6  -8.346  -1.530  -6.570
   35    H    LYS   7           H        LYS   7 -10.040   1.346  -1.356
   36    HA   LYS   7           HA       LYS   7 -12.036   2.438  -3.137
   37   1HB   LYS   7          2HB       LYS   7 -13.579   2.892  -1.251
   38   2HB   LYS   7          1HB       LYS   7 -13.331   1.170  -1.492
   39   1HG   LYS   7          2HG       LYS   7 -12.502   0.898   0.540
   40   2HG   LYS   7          1HG       LYS   7 -11.390   2.264   0.365
   41   1HD   LYS   7          2HD       LYS   7 -12.803   2.855   2.155
   42   2HD   LYS   7          1HD       LYS   7 -13.460   3.731   0.773
   43   1HE   LYS   7          2HE       LYS   7 -14.495   1.122   1.872
   44   2HE   LYS   7          1HE       LYS   7 -15.234   2.706   2.102
   45   1HZ   LYS   7          1HZ       LYS   7 -14.978   1.176  -0.422
   46   2HZ   LYS   7          2HZ       LYS   7 -15.408   2.810  -0.385
   47   3HZ   LYS   7          3HZ       LYS   7 -16.398   1.660   0.360
   48    H    ILE   8           H        ILE   8 -12.593   4.403  -0.824
   49    HA   ILE   8           HA       ILE   8 -10.834   6.408  -1.512
   50    HB   ILE   8           HB       ILE   8 -13.085   6.477  -0.354
   51   1HG1  ILE   8          2HG1      ILE   8 -11.788   8.485  -0.874
   52   2HG1  ILE   8          1HG1      ILE   8 -12.610   8.670   0.671
   53   1HG2  ILE   8          1HG2      ILE   8 -12.300   5.048   1.579
   54   2HG2  ILE   8          2HG2      ILE   8 -13.257   6.474   1.983
   55   3HG2  ILE   8          3HG2      ILE   8 -11.506   6.499   2.192
   56   1HD1  ILE   8          1HD1      ILE   8 -10.495   8.075   1.808
   57   2HD1  ILE   8          2HD1      ILE   8 -10.394   9.549   0.848
   58   3HD1  ILE   8          3HD1      ILE   8  -9.700   8.051   0.235
   59    H    ILE   9           H        ILE   9  -8.694   6.257  -1.310
   60    HA   ILE   9           HA       ILE   9  -7.567   6.022   1.325
   61    HB   ILE   9           HB       ILE   9  -7.848   3.687   0.488
   62   1HG1  ILE   9          2HG1      ILE   9  -5.813   2.906   1.400
   63   2HG1  ILE   9          1HG1      ILE   9  -4.945   4.354   0.924
   64   1HG2  ILE   9          1HG2      ILE   9  -6.061   2.962  -1.149
   65   2HG2  ILE   9          2HG2      ILE   9  -5.960   4.665  -1.580
   66   3HG2  ILE   9          3HG2      ILE   9  -7.481   3.793  -1.766
   67   1HD1  ILE   9          1HD1      ILE   9  -5.650   3.975   3.390
   68   2HD1  ILE   9          2HD1      ILE   9  -7.221   4.549   2.834
   69   3HD1  ILE   9          3HD1      ILE   9  -5.799   5.579   2.675
   70    H    GLY  10           H        GLY  10  -4.961   6.159   1.042
   71   1HA   GLY  10          2HA       GLY  10  -4.451   8.190  -1.010
   72   2HA   GLY  10          1HA       GLY  10  -4.066   8.522   0.674
   73    H    SER  11           H        SER  11  -2.007   8.723  -1.061
   74    HA   SER  11           HA       SER  11  -0.390   6.457  -0.294
   75   1HB   SER  11          2HB       SER  11   0.417   6.209  -2.713
   76   2HB   SER  11          1HB       SER  11  -1.201   5.602  -2.366
   77    HG   SER  11           HG       SER  11  -2.007   7.597  -3.185
   78    H    ARG  12           H        ARG  12   1.126   7.621   0.803
   79    HA   ARG  12           HA       ARG  12   3.015   9.094  -0.809
   80   1HB   ARG  12          2HB       ARG  12   1.388  10.855  -0.322
   81   2HB   ARG  12          1HB       ARG  12   1.546  10.537   1.401
   82   1HG   ARG  12          2HG       ARG  12   3.701  11.423   1.488
   83   2HG   ARG  12          1HG       ARG  12   3.915  11.314  -0.259
   84   1HD   ARG  12          2HD       ARG  12   2.006  13.159   1.173
   85   2HD   ARG  12          1HD       ARG  12   3.555  13.626   0.471
   86    HE   ARG  12           HE       ARG  12   1.977  12.398  -1.504
   87   1HH1  ARG  12          1HH1      ARG  12   2.124  15.321   0.380
   88   2HH1  ARG  12          2HH1      ARG  12   1.332  16.288  -0.819
   89   1HH2  ARG  12          1HH2      ARG  12   0.935  13.660  -3.090
   90   2HH2  ARG  12          2HH2      ARG  12   0.658  15.344  -2.793
   91    H    THR  13           H        THR  13   4.737   7.735  -0.108
   92    HA   THR  13           HA       THR  13   5.180   7.822   2.782
   93    HB   THR  13           HB       THR  13   6.580   5.726   1.283
   94    HG1  THR  13           1HG      THR  13   4.757   4.443   1.181
   95   1HG2  THR  13          1HG2      THR  13   5.225   5.932   3.954
   96   2HG2  THR  13          2HG2      THR  13   6.958   5.874   3.633
   97   3HG2  THR  13          3HG2      THR  13   5.957   4.452   3.337
   98    H    ALA  14           H        ALA  14   7.603   6.916   0.327
   99    HA   ALA  14           HA       ALA  14   9.117   9.315   1.030
  100   1HB   ALA  14          1HB       ALA  14  10.243   6.559   1.486
  101   2HB   ALA  14          2HB       ALA  14   9.742   7.691   2.742
  102   3HB   ALA  14          3HB       ALA  14  11.103   8.084   1.693
  103    H    GLY  15           H        GLY  15   9.360   6.208  -0.710
  104   1HA   GLY  15          2HA       GLY  15   9.436   6.341  -3.170
  105   2HA   GLY  15          1HA       GLY  15  10.497   7.729  -2.978
  106    H    GLU  16           H        GLU  16  12.066   6.602  -0.858
  107    HA   GLU  16           HA       GLU  16  14.065   5.319  -2.334
  108   1HB   GLU  16          2HB       GLU  16  15.211   5.049  -0.258
  109   2HB   GLU  16          1HB       GLU  16  14.322   6.564  -0.157
  110   1HG   GLU  16          2HG       GLU  16  12.574   5.452   1.137
  111   2HG   GLU  16          1HG       GLU  16  13.480   3.941   1.056
  112    H    GLY  17           H        GLY  17  11.558   4.065  -0.210
  113   1HA   GLY  17          2HA       GLY  17  11.946   1.401  -1.407
  114   2HA   GLY  17          1HA       GLY  17  11.818   1.571   0.339
  115    H    ALA  18           H        ALA  18   9.840   3.559   0.431
  116    HA   ALA  18           HA       ALA  18   7.515   2.305  -0.833
  117   1HB   ALA  18          1HB       ALA  18   7.723   3.200   2.035
  118   2HB   ALA  18          2HB       ALA  18   7.597   1.528   1.472
  119   3HB   ALA  18          3HB       ALA  18   6.245   2.642   1.247
  120    H    MET  19           H        MET  19   5.752   3.764  -1.247
  121    HA   MET  19           HA       MET  19   6.061   6.536  -0.608
  122   1HB   MET  19          2HB       MET  19   7.565   5.777  -2.728
  123   2HB   MET  19          1HB       MET  19   6.068   6.218  -3.540
  124   1HG   MET  19          2HG       MET  19   6.146   8.413  -2.487
  125   2HG   MET  19          1HG       MET  19   7.639   7.961  -1.678
  126   1HE   MET  19          1HE       MET  19   8.772  10.599  -4.376
  127   2HE   MET  19          2HE       MET  19   8.754  10.200  -2.659
  128   3HE   MET  19          3HE       MET  19   7.248  10.589  -3.490
  129    H    GLU  20           H        GLU  20   4.017   4.352  -0.615
  130    HA   GLU  20           HA       GLU  20   1.853   6.023  -1.520
  131   1HB   GLU  20          2HB       GLU  20   2.045   3.191  -2.531
  132   2HB   GLU  20          1HB       GLU  20   0.766   4.330  -2.874
  133   1HG   GLU  20          2HG       GLU  20   2.668   5.751  -3.910
  134   2HG   GLU  20          1HG       GLU  20   3.565   4.228  -3.914
  135    H    TYR  21           H        TYR  21  -0.312   4.640  -0.978
  136    HA   TYR  21           HA       TYR  21   0.019   2.940   1.286
  137   1HB   TYR  21          2HB       TYR  21   0.311   4.785   2.577
  138   2HB   TYR  21          1HB       TYR  21  -0.639   5.804   1.529
  139    HD1  TYR  21           1HD      TYR  21  -2.336   6.767   2.587
  140    HD2  TYR  21           2HD      TYR  21  -1.424   2.720   3.599
  141    HE1  TYR  21           1HE      TYR  21  -4.175   6.767   4.173
  142    HE2  TYR  21           2HE      TYR  21  -3.276   2.727   5.221
  143    HH   TYR  21           HH       TYR  21  -4.591   4.354   6.530
  144    H    LEU  22           H        LEU  22  -1.654   3.480  -1.362
  145    HA   LEU  22           HA       LEU  22  -4.195   3.129  -0.249
  146   1HB   LEU  22          2HB       LEU  22  -4.934   3.028  -2.679
  147   2HB   LEU  22          1HB       LEU  22  -4.156   4.509  -2.158
  148    HG   LEU  22           HG       LEU  22  -2.041   3.690  -3.210
  149   1HD1  LEU  22          1HD1      LEU  22  -3.815   1.389  -3.850
  150   2HD1  LEU  22          2HD1      LEU  22  -2.108   1.412  -3.402
  151   3HD1  LEU  22          3HD1      LEU  22  -2.598   1.881  -5.028
  152   1HD2  LEU  22          1HD2      LEU  22  -2.849   4.026  -5.549
  153   2HD2  LEU  22          2HD2      LEU  22  -3.369   5.264  -4.405
  154   3HD2  LEU  22          3HD2      LEU  22  -4.497   4.009  -4.919
  155    H    ILE  23           H        ILE  23  -5.387   1.759   0.064
  156    HA   ILE  23           HA       ILE  23  -4.783  -0.976   0.033
  157    HB   ILE  23           HB       ILE  23  -6.868   0.909   0.953
  158   1HG1  ILE  23          2HG1      ILE  23  -6.441  -0.126   3.077
  159   2HG1  ILE  23          1HG1      ILE  23  -5.516  -1.398   2.298
  160   1HG2  ILE  23          1HG2      ILE  23  -7.487  -1.970   0.533
  161   2HG2  ILE  23          2HG2      ILE  23  -8.443  -0.531   0.154
  162   3HG2  ILE  23          3HG2      ILE  23  -8.219  -1.022   1.828
  163   1HD1  ILE  23          1HD1      ILE  23  -4.060   0.233   3.343
  164   2HD1  ILE  23          2HD1      ILE  23  -4.787   1.516   2.377
  165   3HD1  ILE  23          3HD1      ILE  23  -3.855   0.241   1.592
  166    H    GLU  24           H        GLU  24  -5.462   0.817  -2.552
  167    HA   GLU  24           HA       GLU  24  -7.512  -0.663  -3.821
  168   1HB   GLU  24          2HB       GLU  24  -6.178   1.769  -4.203
  169   2HB   GLU  24          1HB       GLU  24  -5.727   0.784  -5.593
  170   1HG   GLU  24          2HG       GLU  24  -7.656   2.045  -6.174
  171   2HG   GLU  24          1HG       GLU  24  -8.146   0.362  -5.996
  172    H    TRP  25           H        TRP  25  -4.666  -1.812  -2.866
  173    HA   TRP  25           HA       TRP  25  -3.781  -3.006  -5.338
  174   1HB   TRP  25          2HB       TRP  25  -2.290  -4.303  -3.511
  175   2HB   TRP  25          1HB       TRP  25  -1.867  -2.724  -4.151
  176    HD1  TRP  25           HD       TRP  25  -3.991  -3.964  -1.085
  177    HE1  TRP  25           1HE      TRP  25  -3.316  -2.477   0.951
  178    HE3  TRP  25           3HE      TRP  25  -0.538  -0.867  -3.303
  179    HZ2  TRP  25           2HZ      TRP  25  -1.722  -0.369   1.464
  180    HZ3  TRP  25           3HZ      TRP  25   0.550   0.849  -1.874
  181    HH2  TRP  25           HH       TRP  25  -0.033   1.096   0.432
  182    H    LYS  26           H        LYS  26  -6.465  -3.660  -4.427
  183    HA   LYS  26           HA       LYS  26  -7.858  -5.426  -4.148
  184   1HB   LYS  26          2HB       LYS  26  -6.711  -5.900  -6.351
  185   2HB   LYS  26          1HB       LYS  26  -5.645  -6.993  -5.478
  186   1HG   LYS  26          2HG       LYS  26  -7.730  -8.220  -4.733
  187   2HG   LYS  26          1HG       LYS  26  -8.608  -7.242  -5.907
  188   1HD   LYS  26          2HD       LYS  26  -7.371  -8.150  -7.718
  189   2HD   LYS  26          1HD       LYS  26  -6.207  -8.909  -6.629
  190   1HE   LYS  26          2HE       LYS  26  -7.977 -10.373  -5.773
  191   2HE   LYS  26          1HE       LYS  26  -9.127  -9.623  -6.879
  192   1HZ   LYS  26          1HZ       LYS  26  -8.257 -11.735  -7.719
  193   2HZ   LYS  26          2HZ       LYS  26  -6.688 -11.101  -7.709
  194   3HZ   LYS  26          3HZ       LYS  26  -7.857 -10.444  -8.740
  195    H    ASP  27           H        ASP  27  -6.125  -4.905  -1.890
  196    HA   ASP  27           HA       ASP  27  -5.493  -5.898   0.067
  197   1HB   ASP  27          2HB       ASP  27  -7.777  -6.746   0.078
  198   2HB   ASP  27          1HB       ASP  27  -7.318  -8.075  -0.979
  199    H    GLY  28           H        GLY  28  -4.045  -6.404  -2.540
  200   1HA   GLY  28          2HA       GLY  28  -3.012  -8.898  -2.891
  201   2HA   GLY  28          1HA       GLY  28  -2.037  -7.440  -3.034
  202    H    HIS  29           H        HIS  29  -1.431  -6.503  -0.773
  203    HA   HIS  29           HA       HIS  29  -0.851  -8.663   1.079
  204   1HB   HIS  29          2HB       HIS  29   1.095  -7.341  -0.558
  205   2HB   HIS  29          1HB       HIS  29   1.376  -6.907   1.124
  206    HD1  HIS  29           1HD      HIS  29   2.899  -8.455   2.281
  207    HD2  HIS  29           2HD      HIS  29   0.782 -10.362  -0.745
  208    HE1  HIS  29           1HE      HIS  29   3.741 -10.823   2.262
  209    HE2  HIS  29           2HE      HIS  29   2.404 -11.975   0.464
  210    H    SER  30           H        SER  30  -2.244  -7.977   2.569
  211    HA   SER  30           HA       SER  30  -3.269  -6.640   4.135
  212   1HB   SER  30          2HB       SER  30  -0.343  -6.177   4.649
  213   2HB   SER  30          1HB       SER  30  -1.643  -5.991   5.840
  214    HG   SER  30           HG       SER  30  -0.415  -8.265   4.931
  215    HA   PRO  31           HA       PRO  31  -3.897  -2.184   2.727
  216   1HB   PRO  31          2HB       PRO  31  -4.651  -2.037   5.578
  217   2HB   PRO  31          1HB       PRO  31  -5.662  -1.763   4.168
  218   1HG   PRO  31          2HG       PRO  31  -5.401  -4.165   5.801
  219   2HG   PRO  31          1HG       PRO  31  -6.630  -3.773   4.597
  220   1HD   PRO  31          2HD       PRO  31  -4.842  -5.727   4.187
  221   2HD   PRO  31          1HD       PRO  31  -5.388  -4.696   2.845
  222    H    SER  32           H        SER  32  -2.153  -0.893   2.760
  223    HA   SER  32           HA       SER  32  -0.562  -0.637   5.114
  224   1HB   SER  32          2HB       SER  32   0.142  -2.739   4.093
  225   2HB   SER  32          1HB       SER  32   0.788  -1.785   2.759
  226    HG   SER  32           HG       SER  32   2.315  -2.288   4.474
  227    H    TRP  33           H        TRP  33   0.971   1.009   5.155
  228    HA   TRP  33           HA       TRP  33   0.510   2.922   3.005
  229   1HB   TRP  33          2HB       TRP  33   0.509   3.551   5.470
  230   2HB   TRP  33          1HB       TRP  33   2.230   3.184   5.511
  231    HD1  TRP  33           HD       TRP  33   3.713   4.745   3.642
  232    HE1  TRP  33           1HE      TRP  33   3.440   7.252   3.171
  233    HE3  TRP  33           3HE      TRP  33  -0.978   5.437   5.531
  234    HZ2  TRP  33           2HZ      TRP  33   1.491   9.268   3.524
  235    HZ3  TRP  33           3HZ      TRP  33  -1.982   7.680   5.415
  236    HH2  TRP  33           HH       TRP  33  -0.773   9.555   4.417
  237    H    VAL  34           H        VAL  34   1.530   1.933   1.340
  238    HA   VAL  34           HA       VAL  34   4.412   1.882   1.334
  239    HB   VAL  34           HB       VAL  34   3.345  -0.697   0.424
  240   1HG1  VAL  34          1HG1      VAL  34   5.236  -0.826   2.605
  241   2HG1  VAL  34          2HG1      VAL  34   5.746   0.388   1.438
  242   3HG1  VAL  34          3HG1      VAL  34   5.475  -1.269   0.922
  243   1HG2  VAL  34          1HG2      VAL  34   2.852  -1.706   2.495
  244   2HG2  VAL  34          2HG2      VAL  34   1.831  -0.277   2.320
  245   3HG2  VAL  34          3HG2      VAL  34   3.244  -0.227   3.373
  246    HA   PRO  35           HA       PRO  35   3.728   2.513  -3.020
  247   1HB   PRO  35          2HB       PRO  35   5.896   1.681  -4.189
  248   2HB   PRO  35          1HB       PRO  35   6.050   2.794  -2.823
  249   1HG   PRO  35          2HG       PRO  35   6.317  -0.192  -2.859
  250   2HG   PRO  35          1HG       PRO  35   7.413   0.997  -2.141
  251   1HD   PRO  35          2HD       PRO  35   5.440  -0.348  -0.771
  252   2HD   PRO  35          1HD       PRO  35   6.111   1.192  -0.253
  253    H    SER  36           H        SER  36   2.242   1.629  -4.247
  254    HA   SER  36           HA       SER  36   1.512   0.478  -6.092
  255   1HB   SER  36          2HB       SER  36   3.804  -1.441  -5.658
  256   2HB   SER  36          1HB       SER  36   2.793  -1.308  -7.094
  257    HG   SER  36           HG       SER  36   5.005  -0.118  -6.809
  258    H    SER  37           H        SER  37   2.657  -1.741  -3.546
  259    HA   SER  37           HA       SER  37  -0.065  -2.785  -3.400
  260   1HB   SER  37          2HB       SER  37   2.363  -4.542  -3.818
  261   2HB   SER  37          1HB       SER  37   0.740  -5.124  -3.450
  262    HG   SER  37           HG       SER  37   1.322  -3.495  -5.692
  263    H    TYR  38           H        TYR  38   3.149  -3.615  -2.128
  264    HA   TYR  38           HA       TYR  38   2.718  -2.647   0.483
  265   1HB   TYR  38          2HB       TYR  38   0.954  -4.305   0.571
  266   2HB   TYR  38          1HB       TYR  38   2.092  -5.559   0.061
  267    HD1  TYR  38           1HD      TYR  38   0.591  -3.904   2.835
  268    HD2  TYR  38           2HD      TYR  38   4.054  -5.905   1.519
  269    HE1  TYR  38           1HE      TYR  38   1.222  -4.319   5.176
  270    HE2  TYR  38           2HE      TYR  38   4.745  -6.354   3.799
  271    HH   TYR  38           HH       TYR  38   4.330  -5.411   6.070
  272    H    ILE  39           H        ILE  39   4.640  -2.866   1.628
  273    HA   ILE  39           HA       ILE  39   6.483  -4.940   1.063
  274    HB   ILE  39           HB       ILE  39   7.832  -4.131  -0.483
  275   1HG1  ILE  39          2HG1      ILE  39   9.118  -2.755   1.074
  276   2HG1  ILE  39          1HG1      ILE  39   8.981  -1.983  -0.488
  277   1HG2  ILE  39          1HG2      ILE  39   7.077  -1.968  -1.707
  278   2HG2  ILE  39          2HG2      ILE  39   5.651  -2.145  -0.689
  279   3HG2  ILE  39          3HG2      ILE  39   6.112  -3.439  -1.765
  280   1HD1  ILE  39          1HD1      ILE  39   7.246  -0.510   0.379
  281   2HD1  ILE  39          2HD1      ILE  39   8.761  -0.359   1.262
  282   3HD1  ILE  39          3HD1      ILE  39   7.418  -1.247   1.968
  283    H    ALA  40           H        ALA  40   5.062  -3.887   3.236
  284    HA   ALA  40           HA       ALA  40   6.738  -2.253   4.861
  285   1HB   ALA  40          1HB       ALA  40   5.214  -2.714   6.627
  286   2HB   ALA  40          2HB       ALA  40   4.631  -4.169   5.823
  287   3HB   ALA  40          3HB       ALA  40   4.270  -2.585   5.141
  288    H    ALA  41           H        ALA  41   8.785  -3.114   4.817
  289    HA   ALA  41           HA       ALA  41   9.811  -4.543   6.827
  290   1HB   ALA  41          1HB       ALA  41  10.173  -6.868   5.857
  291   2HB   ALA  41          2HB       ALA  41   8.873  -6.488   4.727
  292   3HB   ALA  41          3HB       ALA  41   8.556  -6.514   6.462
  293    H    ASP  42           H        ASP  42  10.595  -2.559   5.020
  294    HA   ASP  42           HA       ASP  42  12.369  -1.821   3.811
  295   1HB   ASP  42          2HB       ASP  42  13.632  -4.299   4.997
  296   2HB   ASP  42          1HB       ASP  42  14.524  -3.049   4.137
  297    H    VAL  43           H        VAL  43  11.259  -2.141   1.817
  298    HA   VAL  43           HA       VAL  43  12.666  -3.919   0.027
  299    HB   VAL  43           HB       VAL  43   9.725  -4.248  -0.218
  300   1HG1  VAL  43          1HG1      VAL  43  12.178  -5.574  -1.058
  301   2HG1  VAL  43          2HG1      VAL  43  10.580  -5.566  -1.807
  302   3HG1  VAL  43          3HG1      VAL  43  10.935  -6.692  -0.499
  303   1HG2  VAL  43          1HG2      VAL  43  10.042  -4.601   2.191
  304   2HG2  VAL  43          2HG2      VAL  43  11.295  -5.793   1.845
  305   3HG2  VAL  43          3HG2      VAL  43   9.628  -6.101   1.361
  306    H    VAL  44           H        VAL  44  10.466  -3.659  -2.031
  307    HA   VAL  44           HA       VAL  44   9.875  -0.895  -2.273
  308    HB   VAL  44           HB       VAL  44  12.243  -0.690  -2.699
  309   1HG1  VAL  44          1HG1      VAL  44  11.818  -2.598  -4.997
  310   2HG1  VAL  44          2HG1      VAL  44  12.649  -2.981  -3.490
  311   3HG1  VAL  44          3HG1      VAL  44  13.322  -1.774  -4.586
  312   1HG2  VAL  44          1HG2      VAL  44  12.147   0.407  -4.895
  313   2HG2  VAL  44          2HG2      VAL  44  10.745   0.800  -3.900
  314   3HG2  VAL  44          3HG2      VAL  44  10.597  -0.375  -5.208
  315    H    SER  45           H        SER  45   8.084  -0.804  -3.315
  316    HA   SER  45           HA       SER  45   6.449  -1.044  -4.837
  317   1HB   SER  45          2HB       SER  45   8.229  -0.628  -6.474
  318   2HB   SER  45          1HB       SER  45   8.569  -2.357  -6.541
  319    HG   SER  45           HG       SER  45   6.812  -1.020  -7.964
  320    H    GLU  46           H        GLU  46   7.521  -3.533  -3.140
  321    HA   GLU  46           HA       GLU  46   5.227  -5.077  -3.506
  322   1HB   GLU  46          2HB       GLU  46   6.966  -5.473  -5.614
  323   2HB   GLU  46          1HB       GLU  46   7.293  -6.845  -4.564
  324   1HG   GLU  46          2HG       GLU  46   5.034  -7.562  -4.655
  325   2HG   GLU  46          1HG       GLU  46   4.526  -6.068  -5.443
  326    H    TYR  47           H        TYR  47   5.020  -6.773  -2.076
  327    HA   TYR  47           HA       TYR  47   6.533  -6.714   0.248
  328   1HB   TYR  47          2HB       TYR  47   5.326  -8.882   0.783
  329   2HB   TYR  47          1HB       TYR  47   4.285  -7.519   0.370
  330    HD1  TYR  47           1HD      TYR  47   5.515 -10.806  -0.692
  331    HD2  TYR  47           2HD      TYR  47   3.049  -7.496  -1.725
  332    HE1  TYR  47           1HE      TYR  47   4.430 -12.164  -2.430
  333    HE2  TYR  47           2HE      TYR  47   1.958  -8.846  -3.467
  334    HH   TYR  47           HH       TYR  47   2.433 -10.823  -4.831
  Start of MODEL    3
    1   1H    GLY   1          1HT       GLY   1  -8.118  -6.550   9.427
    2   2H    GLY   1          2HT       GLY   1  -6.746  -6.245  10.368
    3   3H    GLY   1          3HT       GLY   1  -6.739  -7.513   9.248
    4   1HA   GLY   1          1HA       GLY   1  -5.487  -5.647   8.391
    5   2HA   GLY   1          2HA       GLY   1  -6.917  -5.955   7.418
    6    H    SER   2           H        SER   2  -5.670  -3.524   7.287
    7    HA   SER   2           HA       SER   2  -7.425  -1.742   8.839
    8   1HB   SER   2          2HB       SER   2  -5.034  -1.354   9.230
    9   2HB   SER   2          1HB       SER   2  -4.777  -1.133   7.501
   10    HG   SER   2           HG       SER   2  -5.000   0.882   8.384
   11    H    GLY   3           H        GLY   3  -6.355  -2.637   5.640
   12   1HA   GLY   3          2HA       GLY   3  -8.409  -0.831   4.535
   13   2HA   GLY   3          1HA       GLY   3  -6.856  -1.039   3.750
   14    H    GLU   4           H        GLU   4  -6.831  -2.383   2.084
   15    HA   GLU   4           HA       GLU   4  -7.439  -4.036   0.644
   16   1HB   GLU   4          2HB       GLU   4  -6.818  -5.651   2.161
   17   2HB   GLU   4          1HB       GLU   4  -8.029  -5.182   3.344
   18   1HG   GLU   4          2HG       GLU   4  -8.956  -6.405   0.798
   19   2HG   GLU   4          1HG       GLU   4  -8.172  -7.441   1.985
   20    H    VAL   5           H        VAL   5  -9.203  -1.805   1.330
   21    HA   VAL   5           HA       VAL   5 -11.839  -2.967   0.855
   22    HB   VAL   5           HB       VAL   5 -11.171  -0.140   1.665
   23   1HG1  VAL   5          1HG1      VAL   5 -13.553   0.040   2.168
   24   2HG1  VAL   5          2HG1      VAL   5 -13.805  -1.610   1.599
   25   3HG1  VAL   5          3HG1      VAL   5 -13.290  -0.357   0.469
   26   1HG2  VAL   5          1HG2      VAL   5 -11.932  -0.768   3.897
   27   2HG2  VAL   5          2HG2      VAL   5 -10.545  -1.743   3.408
   28   3HG2  VAL   5          3HG2      VAL   5 -12.169  -2.430   3.359
   29    H    ASN   6           H        ASN   6  -9.319  -1.166  -0.654
   30    HA   ASN   6           HA       ASN   6  -9.165  -0.024  -2.639
   31   1HB   ASN   6          2HB       ASN   6 -10.990  -2.335  -3.206
   32   2HB   ASN   6          1HB       ASN   6 -10.681  -1.150  -4.470
   33   1HD2  ASN   6          1HD2      ASN   6  -8.669  -1.023  -5.396
   34   2HD2  ASN   6          2HD2      ASN   6  -7.451  -2.223  -5.159
   35    H    LYS   7           H        LYS   7 -10.135   1.905  -1.687
   36    HA   LYS   7           HA       LYS   7 -12.739   2.491  -2.892
   37   1HB   LYS   7          2HB       LYS   7 -13.023   3.863  -0.596
   38   2HB   LYS   7          1HB       LYS   7 -13.617   2.229  -0.833
   39   1HG   LYS   7          2HG       LYS   7 -12.125   1.326   0.595
   40   2HG   LYS   7          1HG       LYS   7 -10.824   2.439   0.148
   41   1HD   LYS   7          2HD       LYS   7 -11.844   4.192   1.483
   42   2HD   LYS   7          1HD       LYS   7 -13.225   3.156   1.846
   43   1HE   LYS   7          2HE       LYS   7 -11.704   1.582   2.984
   44   2HE   LYS   7          1HE       LYS   7 -10.364   2.686   2.677
   45   1HZ   LYS   7          1HZ       LYS   7 -11.456   4.355   4.014
   46   2HZ   LYS   7          2HZ       LYS   7 -11.275   2.936   4.915
   47   3HZ   LYS   7          3HZ       LYS   7 -12.785   3.340   4.270
   48    H    ILE   8           H        ILE   8 -11.306   4.721  -0.618
   49    HA   ILE   8           HA       ILE   8 -10.260   6.370  -2.808
   50    HB   ILE   8           HB       ILE   8 -12.478   7.242  -2.426
   51   1HG1  ILE   8          2HG1      ILE   8 -11.972   9.525  -1.896
   52   2HG1  ILE   8          1HG1      ILE   8 -10.585   9.055  -0.919
   53   1HG2  ILE   8          1HG2      ILE   8 -13.333   7.862  -0.289
   54   2HG2  ILE   8          2HG2      ILE   8 -11.777   7.569   0.484
   55   3HG2  ILE   8          3HG2      ILE   8 -12.710   6.216  -0.155
   56   1HD1  ILE   8          1HD1      ILE   8 -10.802   8.693  -3.897
   57   2HD1  ILE   8          2HD1      ILE   8  -9.396   8.339  -2.891
   58   3HD1  ILE   8          3HD1      ILE   8  -9.945  10.003  -3.085
   59    H    ILE   9           H        ILE   9  -8.165   6.597  -2.298
   60    HA   ILE   9           HA       ILE   9  -7.484   7.557   0.365
   61    HB   ILE   9           HB       ILE   9  -7.478   5.180   0.584
   62   1HG1  ILE   9          2HG1      ILE   9  -5.090   4.754   1.144
   63   2HG1  ILE   9          1HG1      ILE   9  -4.674   6.295   0.429
   64   1HG2  ILE   9          1HG2      ILE   9  -7.187   3.974  -1.240
   65   2HG2  ILE   9          2HG2      ILE   9  -5.456   4.200  -1.020
   66   3HG2  ILE   9          3HG2      ILE   9  -6.356   5.290  -2.066
   67   1HD1  ILE   9          1HD1      ILE   9  -6.217   7.364   2.071
   68   2HD1  ILE   9          2HD1      ILE   9  -4.813   6.566   2.784
   69   3HD1  ILE   9          3HD1      ILE   9  -6.392   5.782   2.832
   70    H    GLY  10           H        GLY  10  -5.182   8.186   0.549
   71   1HA   GLY  10          2HA       GLY  10  -4.136   9.196  -2.036
   72   2HA   GLY  10          1HA       GLY  10  -3.914  10.009  -0.488
   73    H    SER  11           H        SER  11  -2.276   8.270  -2.725
   74    HA   SER  11           HA       SER  11  -0.768   6.738  -0.750
   75   1HB   SER  11          2HB       SER  11   0.185   5.996  -3.241
   76   2HB   SER  11          1HB       SER  11  -0.934   5.071  -2.225
   77    HG   SER  11           HG       SER  11  -1.949   5.366  -4.160
   78    H    ARG  12           H        ARG  12   0.710   7.656   0.113
   79    HA   ARG  12           HA       ARG  12   2.977   8.630  -1.402
   80   1HB   ARG  12          2HB       ARG  12   3.031  10.858  -0.259
   81   2HB   ARG  12          1HB       ARG  12   1.739  10.668  -1.438
   82   1HG   ARG  12          2HG       ARG  12   0.137  10.288   0.339
   83   2HG   ARG  12          1HG       ARG  12   1.421  10.388   1.544
   84   1HD   ARG  12          2HD       ARG  12   0.592  12.603  -0.328
   85   2HD   ARG  12          1HD       ARG  12   0.142  12.480   1.372
   86    HE   ARG  12           HE       ARG  12   2.980  12.436   0.936
   87   1HH1  ARG  12          1HH1      ARG  12   0.185  14.471   1.341
   88   2HH1  ARG  12          2HH1      ARG  12   1.095  15.830   1.911
   89   1HH2  ARG  12          1HH2      ARG  12   4.190  14.220   1.687
   90   2HH2  ARG  12          2HH2      ARG  12   3.372  15.688   2.107
   91    H    THR  13           H        THR  13   4.632   7.555  -0.360
   92    HA   THR  13           HA       THR  13   4.613   7.679   2.578
   93    HB   THR  13           HB       THR  13   6.232   5.580   1.209
   94    HG1  THR  13           1HG      THR  13   4.469   4.169   1.409
   95   1HG2  THR  13          1HG2      THR  13   6.695   5.866   3.517
   96   2HG2  THR  13          2HG2      THR  13   5.723   4.403   3.362
   97   3HG2  THR  13          3HG2      THR  13   4.980   5.902   3.920
   98    H    ALA  14           H        ALA  14   7.235   6.875   0.314
   99    HA   ALA  14           HA       ALA  14   8.692   9.249   1.135
  100   1HB   ALA  14          1HB       ALA  14   9.783   6.495   1.701
  101   2HB   ALA  14          2HB       ALA  14   9.208   7.646   2.908
  102   3HB   ALA  14          3HB       ALA  14  10.635   8.021   1.941
  103    H    GLY  15           H        GLY  15   9.142   6.089  -0.481
  104   1HA   GLY  15          2HA       GLY  15   9.353   6.119  -2.932
  105   2HA   GLY  15          1HA       GLY  15  10.300   7.588  -2.756
  106    H    GLU  16           H        GLU  16  11.869   6.657  -0.522
  107    HA   GLU  16           HA       GLU  16  14.005   5.470  -1.885
  108   1HB   GLU  16          2HB       GLU  16  14.325   6.753   0.163
  109   2HB   GLU  16          1HB       GLU  16  13.423   5.556   1.083
  110   1HG   GLU  16          2HG       GLU  16  15.771   5.261   1.469
  111   2HG   GLU  16          1HG       GLU  16  15.155   3.887   0.552
  112    H    GLY  17           H        GLY  17  11.261   4.110  -0.272
  113   1HA   GLY  17          2HA       GLY  17  12.006   1.459  -1.233
  114   2HA   GLY  17          1HA       GLY  17  11.771   1.629   0.503
  115    H    ALA  18           H        ALA  18   9.657   3.404   0.566
  116    HA   ALA  18           HA       ALA  18   7.503   2.032  -0.861
  117   1HB   ALA  18          1HB       ALA  18   7.588   2.858   2.033
  118   2HB   ALA  18          2HB       ALA  18   7.524   1.207   1.408
  119   3HB   ALA  18          3HB       ALA  18   6.145   2.287   1.200
  120    H    MET  19           H        MET  19   5.650   3.369  -1.321
  121    HA   MET  19           HA       MET  19   5.725   6.118  -0.543
  122   1HB   MET  19          2HB       MET  19   7.401   5.569  -2.574
  123   2HB   MET  19          1HB       MET  19   5.935   5.941  -3.472
  124   1HG   MET  19          2HG       MET  19   5.784   8.092  -2.343
  125   2HG   MET  19          1HG       MET  19   7.240   7.710  -1.430
  126   1HE   MET  19          1HE       MET  19   6.731   6.681  -5.181
  127   2HE   MET  19          2HE       MET  19   7.256   8.138  -6.024
  128   3HE   MET  19          3HE       MET  19   5.784   8.164  -5.052
  129    H    GLU  20           H        GLU  20   3.517   4.475  -0.199
  130    HA   GLU  20           HA       GLU  20   1.714   5.958  -1.835
  131   1HB   GLU  20          2HB       GLU  20   2.029   3.082  -2.270
  132   2HB   GLU  20          1HB       GLU  20   0.443   3.776  -2.479
  133   1HG   GLU  20          2HG       GLU  20   1.966   5.522  -3.863
  134   2HG   GLU  20          1HG       GLU  20   2.881   4.029  -4.100
  135    H    TYR  21           H        TYR  21  -0.149   3.287  -0.762
  136    HA   TYR  21           HA       TYR  21  -0.696   4.551   1.811
  137   1HB   TYR  21          2HB       TYR  21  -2.942   5.269   1.127
  138   2HB   TYR  21          1HB       TYR  21  -1.647   5.962   0.221
  139    HD1  TYR  21           1HD      TYR  21  -3.834   6.451  -1.362
  140    HD2  TYR  21           2HD      TYR  21  -1.903   2.690  -0.832
  141    HE1  TYR  21           1HE      TYR  21  -4.905   5.594  -3.371
  142    HE2  TYR  21           2HE      TYR  21  -2.979   1.844  -2.817
  143    HH   TYR  21           HH       TYR  21  -4.941   2.299  -4.206
  144    H    LEU  22           H        LEU  22  -3.677   3.647   1.114
  145    HA   LEU  22           HA       LEU  22  -3.433   0.853   1.331
  146   1HB   LEU  22          2HB       LEU  22  -5.179   1.228   3.406
  147   2HB   LEU  22          1HB       LEU  22  -3.496   0.763   3.558
  148    HG   LEU  22           HG       LEU  22  -3.022   3.304   3.636
  149   1HD1  LEU  22          1HD1      LEU  22  -5.957   3.265   4.311
  150   2HD1  LEU  22          2HD1      LEU  22  -5.204   4.074   2.939
  151   3HD1  LEU  22          3HD1      LEU  22  -4.866   4.625   4.578
  152   1HD2  LEU  22          1HD2      LEU  22  -2.711   1.812   5.525
  153   2HD2  LEU  22          2HD2      LEU  22  -4.431   1.898   5.899
  154   3HD2  LEU  22          3HD2      LEU  22  -3.422   3.335   6.057
  155    H    ILE  23           H        ILE  23  -5.548  -0.193   1.435
  156    HA   ILE  23           HA       ILE  23  -7.490  -0.726   0.460
  157    HB   ILE  23           HB       ILE  23  -9.362   0.804   0.654
  158   1HG1  ILE  23          2HG1      ILE  23  -7.798   2.890   0.175
  159   2HG1  ILE  23          1HG1      ILE  23  -9.259   3.052   1.121
  160   1HG2  ILE  23          1HG2      ILE  23  -9.144   1.242   3.124
  161   2HG2  ILE  23          2HG2      ILE  23  -7.498   0.620   2.987
  162   3HG2  ILE  23          3HG2      ILE  23  -8.869  -0.416   2.591
  163   1HD1  ILE  23          1HD1      ILE  23  -8.140   3.628   2.972
  164   2HD1  ILE  23          2HD1      ILE  23  -6.807   3.960   1.868
  165   3HD1  ILE  23          3HD1      ILE  23  -6.884   2.417   2.711
  166    H    GLU  24           H        GLU  24  -5.972  -0.727  -1.555
  167    HA   GLU  24           HA       GLU  24  -7.539   0.001  -3.738
  168   1HB   GLU  24          2HB       GLU  24  -6.792   2.310  -3.030
  169   2HB   GLU  24          1HB       GLU  24  -5.166   1.838  -3.495
  170   1HG   GLU  24          2HG       GLU  24  -5.615   1.947  -5.704
  171   2HG   GLU  24          1HG       GLU  24  -7.285   1.418  -5.504
  172    H    TRP  25           H        TRP  25  -5.970  -2.284  -2.956
  173    HA   TRP  25           HA       TRP  25  -4.541  -2.632  -5.455
  174   1HB   TRP  25          2HB       TRP  25  -2.611  -3.716  -3.938
  175   2HB   TRP  25          1HB       TRP  25  -2.567  -2.060  -4.521
  176    HD1  TRP  25           HD       TRP  25  -4.528  -3.426  -1.429
  177    HE1  TRP  25           1HE      TRP  25  -3.750  -2.062   0.605
  178    HE3  TRP  25           3HE      TRP  25  -0.885  -0.576  -3.649
  179    HZ2  TRP  25           2HZ      TRP  25  -1.866  -0.102   1.186
  180    HZ3  TRP  25           3HZ      TRP  25   0.374   1.023  -2.239
  181    HH2  TRP  25           HH       TRP  25  -0.161   1.341   0.086
  182    H    LYS  26           H        LYS  26  -6.896  -3.834  -4.250
  183    HA   LYS  26           HA       LYS  26  -7.870  -5.877  -4.038
  184   1HB   LYS  26          2HB       LYS  26  -5.406  -6.770  -5.542
  185   2HB   LYS  26          1HB       LYS  26  -6.863  -7.730  -5.319
  186   1HG   LYS  26          2HG       LYS  26  -8.148  -6.055  -6.559
  187   2HG   LYS  26          1HG       LYS  26  -6.674  -5.115  -6.799
  188   1HD   LYS  26          2HD       LYS  26  -7.120  -6.414  -8.782
  189   2HD   LYS  26          1HD       LYS  26  -5.682  -7.052  -7.982
  190   1HE   LYS  26          2HE       LYS  26  -7.100  -8.873  -8.718
  191   2HE   LYS  26          1HE       LYS  26  -7.060  -8.812  -6.955
  192   1HZ   LYS  26          1HZ       LYS  26  -9.301  -9.175  -7.811
  193   2HZ   LYS  26          2HZ       LYS  26  -9.232  -7.712  -8.656
  194   3HZ   LYS  26          3HZ       LYS  26  -9.198  -7.712  -6.966
  195    H    ASP  27           H        ASP  27  -5.752  -4.935  -2.071
  196    HA   ASP  27           HA       ASP  27  -4.646  -5.682  -0.228
  197   1HB   ASP  27          2HB       ASP  27  -5.957  -7.081   1.163
  198   2HB   ASP  27          1HB       ASP  27  -7.075  -6.158   0.166
  199    H    GLY  28           H        GLY  28  -3.423  -6.721  -2.583
  200   1HA   GLY  28          2HA       GLY  28  -2.957  -9.424  -2.693
  201   2HA   GLY  28          1HA       GLY  28  -1.715  -8.235  -3.029
  202    H    HIS  29           H        HIS  29  -1.062  -7.135  -0.652
  203    HA   HIS  29           HA       HIS  29  -0.565  -9.413   1.136
  204   1HB   HIS  29          2HB       HIS  29   1.461  -8.908  -0.300
  205   2HB   HIS  29          1HB       HIS  29   1.554  -7.320   0.476
  206    HD1  HIS  29           1HD      HIS  29   1.617 -10.999   1.457
  207    HD2  HIS  29           2HD      HIS  29   2.995  -7.305   2.767
  208    HE1  HIS  29           1HE      HIS  29   3.073 -11.493   3.447
  209    HE2  HIS  29           2HE      HIS  29   3.970  -9.250   4.164
  210    H    SER  30           H        SER  30  -2.031  -8.714   2.673
  211    HA   SER  30           HA       SER  30  -2.976  -7.352   4.287
  212   1HB   SER  30          2HB       SER  30  -0.054  -6.805   4.819
  213   2HB   SER  30          1HB       SER  30  -1.375  -6.779   5.998
  214    HG   SER  30           HG       SER  30  -1.508  -8.953   5.927
  215    HA   PRO  31           HA       PRO  31  -3.295  -3.184   2.241
  216   1HB   PRO  31          2HB       PRO  31  -4.508  -2.437   4.785
  217   2HB   PRO  31          1HB       PRO  31  -5.245  -2.494   3.185
  218   1HG   PRO  31          2HG       PRO  31  -5.333  -4.477   5.337
  219   2HG   PRO  31          1HG       PRO  31  -6.353  -4.343   3.898
  220   1HD   PRO  31          2HD       PRO  31  -4.564  -6.340   4.224
  221   2HD   PRO  31          1HD       PRO  31  -4.938  -5.663   2.621
  222    H    SER  32           H        SER  32  -1.662  -1.649   2.348
  223    HA   SER  32           HA       SER  32  -0.409  -1.125   4.897
  224   1HB   SER  32          2HB       SER  32   1.095  -2.506   2.721
  225   2HB   SER  32          1HB       SER  32   1.831  -1.792   4.159
  226    HG   SER  32           HG       SER  32   1.315  -4.128   4.213
  227    H    TRP  33           H        TRP  33   0.705   0.830   5.002
  228    HA   TRP  33           HA       TRP  33   0.347   2.498   2.680
  229   1HB   TRP  33          2HB       TRP  33   0.229   3.284   5.128
  230   2HB   TRP  33          1HB       TRP  33   1.981   3.106   5.158
  231    HD1  TRP  33           HD       TRP  33   3.406   4.804   3.602
  232    HE1  TRP  33           1HE      TRP  33   2.824   7.158   2.753
  233    HE3  TRP  33           3HE      TRP  33  -1.652   4.749   4.361
  234    HZ2  TRP  33           2HZ      TRP  33   0.546   8.783   2.426
  235    HZ3  TRP  33           3HZ      TRP  33  -2.960   6.741   3.746
  236    HH2  TRP  33           HH       TRP  33  -1.881   8.716   2.794
  237    H    VAL  34           H        VAL  34   1.406   1.546   1.163
  238    HA   VAL  34           HA       VAL  34   4.287   1.736   1.146
  239    HB   VAL  34           HB       VAL  34   3.439  -0.930   0.200
  240   1HG1  VAL  34          1HG1      VAL  34   5.738   0.383   1.247
  241   2HG1  VAL  34          2HG1      VAL  34   5.641  -1.253   0.632
  242   3HG1  VAL  34          3HG1      VAL  34   5.380  -0.942   2.339
  243   1HG2  VAL  34          1HG2      VAL  34   3.321  -1.924   2.461
  244   2HG2  VAL  34          2HG2      VAL  34   1.943  -0.947   2.002
  245   3HG2  VAL  34          3HG2      VAL  34   3.140  -0.305   3.119
  246    HA   PRO  35           HA       PRO  35   3.681   2.664  -3.055
  247   1HB   PRO  35          2HB       PRO  35   5.589   1.471  -4.463
  248   2HB   PRO  35          1HB       PRO  35   5.947   2.670  -3.213
  249   1HG   PRO  35          2HG       PRO  35   6.096  -0.299  -3.097
  250   2HG   PRO  35          1HG       PRO  35   7.212   0.901  -2.423
  251   1HD   PRO  35          2HD       PRO  35   5.249  -0.438  -1.032
  252   2HD   PRO  35          1HD       PRO  35   5.981   1.080  -0.509
  253    H    SER  36           H        SER  36   1.780   2.041  -3.816
  254    HA   SER  36           HA       SER  36   0.204   1.010  -5.054
  255   1HB   SER  36          2HB       SER  36   1.616   1.918  -6.820
  256   2HB   SER  36          1HB       SER  36   2.645   0.486  -6.764
  257    HG   SER  36           HG       SER  36   1.320  -0.302  -8.180
  258    H    SER  37           H        SER  37   1.520  -0.620  -3.032
  259    HA   SER  37           HA       SER  37   0.350  -3.077  -3.733
  260   1HB   SER  37          2HB       SER  37   3.370  -3.175  -3.496
  261   2HB   SER  37          1HB       SER  37   2.284  -4.516  -3.840
  262    HG   SER  37           HG       SER  37   3.473  -3.342  -5.643
  263    H    TYR  38           H        TYR  38   2.958  -3.846  -1.790
  264    HA   TYR  38           HA       TYR  38   2.292  -2.770   0.712
  265   1HB   TYR  38          2HB       TYR  38   1.549  -5.430   1.163
  266   2HB   TYR  38          1HB       TYR  38   0.514  -4.021   1.307
  267    HD1  TYR  38           1HD      TYR  38  -1.451  -4.109   0.183
  268    HD2  TYR  38           2HD      TYR  38   1.875  -6.195  -1.423
  269    HE1  TYR  38           1HE      TYR  38  -2.896  -5.005  -1.600
  270    HE2  TYR  38           2HE      TYR  38   0.448  -7.091  -3.231
  271    HH   TYR  38           HH       TYR  38  -1.793  -7.481  -3.779
  272    H    ILE  39           H        ILE  39   4.366  -2.712   1.100
  273    HA   ILE  39           HA       ILE  39   5.934  -5.173   1.017
  274    HB   ILE  39           HB       ILE  39   7.517  -4.289  -0.316
  275   1HG1  ILE  39          2HG1      ILE  39   7.283  -1.839   1.388
  276   2HG1  ILE  39          1HG1      ILE  39   8.692  -2.808   1.010
  277   1HG2  ILE  39          1HG2      ILE  39   5.263  -2.341  -0.821
  278   2HG2  ILE  39          2HG2      ILE  39   5.617  -3.842  -1.657
  279   3HG2  ILE  39          3HG2      ILE  39   6.689  -2.461  -1.853
  280   1HD1  ILE  39          1HD1      ILE  39   8.590  -1.815  -1.312
  281   2HD1  ILE  39          2HD1      ILE  39   9.046  -0.725  -0.003
  282   3HD1  ILE  39          3HD1      ILE  39   7.412  -0.676  -0.663
  283    H    ALA  40           H        ALA  40   4.459  -4.095   3.140
  284    HA   ALA  40           HA       ALA  40   5.893  -2.443   4.882
  285   1HB   ALA  40          1HB       ALA  40   3.962  -4.602   5.670
  286   2HB   ALA  40          2HB       ALA  40   3.486  -3.035   5.016
  287   3HB   ALA  40          3HB       ALA  40   4.346  -3.124   6.555
  288    H    ALA  41           H        ALA  41   8.005  -2.994   5.039
  289    HA   ALA  41           HA       ALA  41   8.906  -4.522   7.115
  290   1HB   ALA  41          1HB       ALA  41   9.928  -6.490   5.892
  291   2HB   ALA  41          2HB       ALA  41   8.845  -6.108   4.554
  292   3HB   ALA  41          3HB       ALA  41   8.182  -6.553   6.126
  293    H    ASP  42           H        ASP  42   9.847  -4.297   3.701
  294    HA   ASP  42           HA       ASP  42  11.574  -2.224   3.678
  295   1HB   ASP  42          2HB       ASP  42  12.926  -3.121   5.460
  296   2HB   ASP  42          1HB       ASP  42  13.011  -4.697   4.682
  297    H    VAL  43           H        VAL  43  10.511  -2.481   1.596
  298    HA   VAL  43           HA       VAL  43  12.198  -3.981  -0.251
  299    HB   VAL  43           HB       VAL  43   9.353  -4.362  -0.896
  300   1HG1  VAL  43          1HG1      VAL  43  11.341  -5.272  -2.133
  301   2HG1  VAL  43          2HG1      VAL  43  10.107  -6.458  -1.712
  302   3HG1  VAL  43          3HG1      VAL  43  11.596  -6.363  -0.771
  303   1HG2  VAL  43          1HG2      VAL  43   9.212  -4.758   1.514
  304   2HG2  VAL  43          2HG2      VAL  43  10.551  -5.902   1.412
  305   3HG2  VAL  43          3HG2      VAL  43   9.019  -6.263   0.614
  306    H    VAL  44           H        VAL  44  10.368  -3.652  -2.502
  307    HA   VAL  44           HA       VAL  44   9.756  -0.838  -2.592
  308    HB   VAL  44           HB       VAL  44  12.091  -0.680  -3.042
  309   1HG1  VAL  44          1HG1      VAL  44  11.687  -2.699  -5.247
  310   2HG1  VAL  44          2HG1      VAL  44  12.478  -3.011  -3.703
  311   3HG1  VAL  44          3HG1      VAL  44  13.196  -1.878  -4.849
  312   1HG2  VAL  44          1HG2      VAL  44  10.703   0.800  -4.353
  313   2HG2  VAL  44          2HG2      VAL  44  10.494  -0.438  -5.590
  314   3HG2  VAL  44          3HG2      VAL  44  12.083   0.278  -5.320
  315    H    SER  45           H        SER  45   7.793  -1.020  -3.301
  316    HA   SER  45           HA       SER  45   6.131  -1.053  -4.858
  317   1HB   SER  45          2HB       SER  45   6.534  -1.408  -7.116
  318   2HB   SER  45          1HB       SER  45   8.123  -0.921  -6.531
  319    HG   SER  45           HG       SER  45   8.771  -2.743  -7.334
  320    H    GLU  46           H        GLU  46   7.346  -3.580  -3.274
  321    HA   GLU  46           HA       GLU  46   5.000  -5.087  -3.326
  322   1HB   GLU  46          2HB       GLU  46   6.117  -5.519  -5.684
  323   2HB   GLU  46          1HB       GLU  46   7.101  -6.649  -4.769
  324   1HG   GLU  46          2HG       GLU  46   4.103  -6.667  -5.007
  325   2HG   GLU  46          1HG       GLU  46   5.230  -7.793  -5.760
  326    H    TYR  47           H        TYR  47   4.978  -6.608  -1.699
  327    HA   TYR  47           HA       TYR  47   7.142  -6.586   0.137
  328   1HB   TYR  47          2HB       TYR  47   5.119  -6.903   1.223
  329   2HB   TYR  47          1HB       TYR  47   4.498  -8.012   0.007
  330    HD1  TYR  47           1HD      TYR  47   7.098  -7.755   2.681
  331    HD2  TYR  47           2HD      TYR  47   4.477 -10.287   0.486
  332    HE1  TYR  47           1HE      TYR  47   7.691  -9.635   4.153
  333    HE2  TYR  47           2HE      TYR  47   5.065 -12.175   1.950
  334    HH   TYR  47           HH       TYR  47   6.726 -11.783   4.877
  Start of MODEL    4
    1   1H    GLY   1          1HT       GLY   1  -2.696  -3.275  11.097
    2   2H    GLY   1          2HT       GLY   1  -4.047  -4.280  10.943
    3   3H    GLY   1          3HT       GLY   1  -4.248  -2.656  11.371
    4   1HA   GLY   1          1HA       GLY   1  -3.426  -1.943   9.220
    5   2HA   GLY   1          2HA       GLY   1  -3.191  -3.626   8.772
    6    H    SER   2           H        SER   2  -5.590  -1.167   9.520
    7    HA   SER   2           HA       SER   2  -7.770  -2.880   8.649
    8   1HB   SER   2          2HB       SER   2  -9.206  -0.939   9.199
    9   2HB   SER   2          1HB       SER   2  -8.162  -1.391  10.547
   10    HG   SER   2           HG       SER   2  -7.339   0.528  10.465
   11    H    GLY   3           H        GLY   3  -7.488  -3.234   6.478
   12   1HA   GLY   3          2HA       GLY   3  -8.126  -0.970   4.756
   13   2HA   GLY   3          1HA       GLY   3  -6.602  -1.777   4.444
   14    H    GLU   4           H        GLU   4  -7.095  -2.605   2.448
   15    HA   GLU   4           HA       GLU   4  -7.889  -4.100   0.937
   16   1HB   GLU   4          2HB       GLU   4  -7.360  -5.838   2.442
   17   2HB   GLU   4          1HB       GLU   4  -8.717  -5.470   3.494
   18   1HG   GLU   4          2HG       GLU   4  -9.514  -6.195   0.787
   19   2HG   GLU   4          1HG       GLU   4  -8.600  -7.457   1.608
   20    H    VAL   5           H        VAL   5  -9.289  -1.846   1.187
   21    HA   VAL   5           HA       VAL   5 -12.085  -2.732   0.930
   22    HB   VAL   5           HB       VAL   5 -11.217   0.076   1.596
   23   1HG1  VAL   5          1HG1      VAL   5 -13.866  -1.357   1.805
   24   2HG1  VAL   5          2HG1      VAL   5 -13.433  -0.120   0.625
   25   3HG1  VAL   5          3HG1      VAL   5 -13.557   0.296   2.335
   26   1HG2  VAL   5          1HG2      VAL   5 -11.816  -0.415   3.924
   27   2HG2  VAL   5          2HG2      VAL   5 -10.457  -1.399   3.380
   28   3HG2  VAL   5          3HG2      VAL   5 -12.068  -2.109   3.499
   29    H    ASN   6           H        ASN   6  -9.384  -1.311  -0.653
   30    HA   ASN   6           HA       ASN   6  -9.112  -0.276  -2.680
   31   1HB   ASN   6          2HB       ASN   6  -9.960  -2.505  -3.360
   32   2HB   ASN   6          1HB       ASN   6 -11.600  -1.862  -3.357
   33   1HD2  ASN   6          1HD2      ASN   6  -8.533  -1.892  -4.977
   34   2HD2  ASN   6          2HD2      ASN   6  -9.062  -1.121  -6.430
   35    H    LYS   7           H        LYS   7 -10.416   1.192  -0.754
   36    HA   LYS   7           HA       LYS   7 -12.732   2.446  -1.933
   37   1HB   LYS   7          2HB       LYS   7 -12.954   3.493   0.308
   38   2HB   LYS   7          1HB       LYS   7 -12.932   1.740   0.365
   39   1HG   LYS   7          2HG       LYS   7 -10.525   1.826   1.035
   40   2HG   LYS   7          1HG       LYS   7 -10.656   3.586   1.083
   41   1HD   LYS   7          2HD       LYS   7 -12.483   3.364   2.749
   42   2HD   LYS   7          1HD       LYS   7 -12.203   1.622   2.765
   43   1HE   LYS   7          2HE       LYS   7 -11.060   2.626   4.631
   44   2HE   LYS   7          1HE       LYS   7  -9.871   2.047   3.467
   45   1HZ   LYS   7          1HZ       LYS   7  -9.240   4.211   4.231
   46   2HZ   LYS   7          2HZ       LYS   7 -10.755   4.854   3.844
   47   3HZ   LYS   7          3HZ       LYS   7  -9.718   4.339   2.612
   48    H    ILE   8           H        ILE   8 -11.587   4.796  -0.016
   49    HA   ILE   8           HA       ILE   8 -10.127   6.065  -2.214
   50    HB   ILE   8           HB       ILE   8 -12.429   6.829  -1.643
   51   1HG1  ILE   8          2HG1      ILE   8 -10.824   8.251  -2.871
   52   2HG1  ILE   8          1HG1      ILE   8 -11.897   9.212  -1.860
   53   1HG2  ILE   8          1HG2      ILE   8 -12.888   8.046   0.326
   54   2HG2  ILE   8          2HG2      ILE   8 -11.182   8.114   0.770
   55   3HG2  ILE   8          3HG2      ILE   8 -12.050   6.579   0.844
   56   1HD1  ILE   8          1HD1      ILE   8 -10.047   9.218  -0.140
   57   2HD1  ILE   8          2HD1      ILE   8  -9.757  10.140  -1.615
   58   3HD1  ILE   8          3HD1      ILE   8  -9.005   8.560  -1.403
   59    H    ILE   9           H        ILE   9  -8.048   6.353  -1.780
   60    HA   ILE   9           HA       ILE   9  -7.242   7.420   0.806
   61    HB   ILE   9           HB       ILE   9  -7.128   4.987   1.042
   62   1HG1  ILE   9          2HG1      ILE   9  -4.784   4.798   1.754
   63   2HG1  ILE   9          1HG1      ILE   9  -4.416   6.304   0.932
   64   1HG2  ILE   9          1HG2      ILE   9  -6.737   4.519  -1.363
   65   2HG2  ILE   9          2HG2      ILE   9  -5.666   3.627  -0.282
   66   3HG2  ILE   9          3HG2      ILE   9  -5.075   5.046  -1.142
   67   1HD1  ILE   9          1HD1      ILE   9  -4.751   6.482   3.392
   68   2HD1  ILE   9          2HD1      ILE   9  -6.436   6.039   3.136
   69   3HD1  ILE   9          3HD1      ILE   9  -5.800   7.528   2.437
   70    H    GLY  10           H        GLY  10  -4.960   8.125   0.785
   71   1HA   GLY  10          2HA       GLY  10  -4.200   9.014  -1.933
   72   2HA   GLY  10          1HA       GLY  10  -3.858   9.916  -0.458
   73    H    SER  11           H        SER  11  -2.256   8.336  -2.724
   74    HA   SER  11           HA       SER  11  -0.657   6.794  -0.858
   75   1HB   SER  11          2HB       SER  11   0.461   6.209  -3.255
   76   2HB   SER  11          1HB       SER  11  -0.867   5.275  -2.519
   77    HG   SER  11           HG       SER  11  -0.874   6.467  -4.827
   78    H    ARG  12           H        ARG  12   0.785   7.780   0.047
   79    HA   ARG  12           HA       ARG  12   3.010   8.962  -1.362
   80   1HB   ARG  12          2HB       ARG  12   1.286  10.662   0.441
   81   2HB   ARG  12          1HB       ARG  12   2.943  11.081   0.031
   82   1HG   ARG  12          2HG       ARG  12   2.002  12.231  -1.636
   83   2HG   ARG  12          1HG       ARG  12   1.891  10.662  -2.432
   84   1HD   ARG  12          2HD       ARG  12  -0.253  11.672  -2.592
   85   2HD   ARG  12          1HD       ARG  12  -0.373  10.403  -1.374
   86    HE   ARG  12           HE       ARG  12   0.199  12.631   0.069
   87   1HH1  ARG  12          1HH1      ARG  12  -2.242  11.828  -2.280
   88   2HH1  ARG  12          2HH1      ARG  12  -3.428  12.894  -1.604
   89   1HH2  ARG  12          1HH2      ARG  12  -1.349  14.042   0.964
   90   2HH2  ARG  12          2HH2      ARG  12  -2.919  14.156   0.241
   91    H    THR  13           H        THR  13   4.564   7.646  -0.366
   92    HA   THR  13           HA       THR  13   4.484   7.598   2.571
   93    HB   THR  13           HB       THR  13   6.187   5.621   1.135
   94    HG1  THR  13           1HG      THR  13   4.437   4.183   1.085
   95   1HG2  THR  13          1HG2      THR  13   6.401   5.842   3.542
   96   2HG2  THR  13          2HG2      THR  13   5.702   4.279   3.118
   97   3HG2  THR  13          3HG2      THR  13   4.669   5.570   3.730
   98    H    ALA  14           H        ALA  14   7.235   6.934   0.435
   99    HA   ALA  14           HA       ALA  14   8.617   9.271   1.458
  100   1HB   ALA  14          1HB       ALA  14   9.035   7.631   3.194
  101   2HB   ALA  14          2HB       ALA  14  10.519   7.962   2.300
  102   3HB   ALA  14          3HB       ALA  14   9.615   6.478   1.992
  103    H    GLY  15           H        GLY  15   9.156   6.185  -0.271
  104   1HA   GLY  15          2HA       GLY  15   9.531   6.363  -2.706
  105   2HA   GLY  15          1HA       GLY  15  10.516   7.778  -2.368
  106    H    GLU  16           H        GLU  16  11.747   6.444  -0.004
  107    HA   GLU  16           HA       GLU  16  14.025   5.401  -1.258
  108   1HB   GLU  16          2HB       GLU  16  13.000   5.177   1.570
  109   2HB   GLU  16          1HB       GLU  16  14.535   4.480   1.072
  110   1HG   GLU  16          2HG       GLU  16  14.880   6.632   2.109
  111   2HG   GLU  16          1HG       GLU  16  15.322   6.696   0.403
  112    H    GLY  17           H        GLY  17  11.112   3.922  -0.066
  113   1HA   GLY  17          2HA       GLY  17  11.744   1.481  -1.521
  114   2HA   GLY  17          1HA       GLY  17  11.467   1.311   0.210
  115    H    ALA  18           H        ALA  18   9.482   3.081   0.668
  116    HA   ALA  18           HA       ALA  18   7.243   2.081  -0.949
  117   1HB   ALA  18          1HB       ALA  18   7.289   1.314   1.403
  118   2HB   ALA  18          2HB       ALA  18   5.870   2.279   0.999
  119   3HB   ALA  18          3HB       ALA  18   7.197   3.004   1.911
  120    H    MET  19           H        MET  19   5.526   3.569  -1.390
  121    HA   MET  19           HA       MET  19   5.772   6.297  -0.613
  122   1HB   MET  19          2HB       MET  19   7.406   5.582  -2.698
  123   2HB   MET  19          1HB       MET  19   5.993   6.225  -3.524
  124   1HG   MET  19          2HG       MET  19   7.421   7.681  -1.333
  125   2HG   MET  19          1HG       MET  19   7.828   7.863  -3.035
  126   1HE   MET  19          1HE       MET  19   7.478  10.485  -2.627
  127   2HE   MET  19          2HE       MET  19   6.903  10.261  -0.975
  128   3HE   MET  19          3HE       MET  19   5.952  11.208  -2.119
  129    H    GLU  20           H        GLU  20   3.534   4.610  -0.412
  130    HA   GLU  20           HA       GLU  20   1.778   6.173  -2.007
  131   1HB   GLU  20          2HB       GLU  20   2.002   3.253  -2.449
  132   2HB   GLU  20          1HB       GLU  20   0.559   4.103  -2.891
  133   1HG   GLU  20          2HG       GLU  20   2.201   5.660  -4.154
  134   2HG   GLU  20          1HG       GLU  20   3.298   4.283  -4.026
  135    H    TYR  21           H        TYR  21  -0.344   3.832  -1.355
  136    HA   TYR  21           HA       TYR  21  -1.140   4.988   1.270
  137   1HB   TYR  21          2HB       TYR  21  -3.485   4.367   0.230
  138   2HB   TYR  21          1HB       TYR  21  -2.762   5.902  -0.193
  139    HD1  TYR  21           1HD      TYR  21  -3.479   6.339  -2.383
  140    HD2  TYR  21           2HD      TYR  21  -2.154   2.434  -1.288
  141    HE1  TYR  21           1HE      TYR  21  -3.743   5.579  -4.700
  142    HE2  TYR  21           2HE      TYR  21  -2.432   1.685  -3.570
  143    HH   TYR  21           HH       TYR  21  -3.734   2.341  -5.614
  144    H    LEU  22           H        LEU  22  -3.233   3.797   2.054
  145    HA   LEU  22           HA       LEU  22  -2.887   1.036   1.401
  146   1HB   LEU  22          2HB       LEU  22  -2.669   0.277   3.577
  147   2HB   LEU  22          1HB       LEU  22  -1.808   1.799   3.611
  148    HG   LEU  22           HG       LEU  22  -4.154   2.722   4.419
  149   1HD1  LEU  22          1HD1      LEU  22  -5.132   0.392   4.171
  150   2HD1  LEU  22          2HD1      LEU  22  -5.413   1.209   5.706
  151   3HD1  LEU  22          3HD1      LEU  22  -4.178  -0.045   5.586
  152   1HD2  LEU  22          1HD2      LEU  22  -2.193   1.251   6.173
  153   2HD2  LEU  22          2HD2      LEU  22  -3.356   2.461   6.717
  154   3HD2  LEU  22          3HD2      LEU  22  -2.049   2.921   5.625
  155    H    ILE  23           H        ILE  23  -4.665   0.516   0.378
  156    HA   ILE  23           HA       ILE  23  -6.833  -0.614   1.002
  157    HB   ILE  23           HB       ILE  23  -8.768   0.883   1.175
  158   1HG1  ILE  23          2HG1      ILE  23  -8.202   3.230   2.119
  159   2HG1  ILE  23          1HG1      ILE  23  -6.661   2.991   1.299
  160   1HG2  ILE  23          1HG2      ILE  23  -7.951   1.760   3.614
  161   2HG2  ILE  23          2HG2      ILE  23  -6.852   0.415   3.297
  162   3HG2  ILE  23          3HG2      ILE  23  -8.594   0.160   3.246
  163   1HD1  ILE  23          1HD1      ILE  23  -8.537   4.188   0.040
  164   2HD1  ILE  23          2HD1      ILE  23  -9.226   2.584  -0.155
  165   3HD1  ILE  23          3HD1      ILE  23  -7.632   2.931  -0.791
  166    H    GLU  24           H        GLU  24  -5.215   0.374  -1.374
  167    HA   GLU  24           HA       GLU  24  -7.518   0.633  -3.183
  168   1HB   GLU  24          2HB       GLU  24  -6.346   2.814  -2.899
  169   2HB   GLU  24          1HB       GLU  24  -4.899   2.071  -3.559
  170   1HG   GLU  24          2HG       GLU  24  -6.065   3.364  -5.244
  171   2HG   GLU  24          1HG       GLU  24  -6.047   1.651  -5.661
  172    H    TRP  25           H        TRP  25  -6.655  -1.813  -2.763
  173    HA   TRP  25           HA       TRP  25  -5.535  -2.585  -5.319
  174   1HB   TRP  25          2HB       TRP  25  -4.015  -4.241  -3.762
  175   2HB   TRP  25          1HB       TRP  25  -3.418  -2.752  -4.485
  176    HD1  TRP  25           HD       TRP  25  -5.440  -3.499  -1.247
  177    HE1  TRP  25           1HE      TRP  25  -4.353  -2.191   0.670
  178    HE3  TRP  25           3HE      TRP  25  -1.498  -1.317  -3.781
  179    HZ2  TRP  25           2HZ      TRP  25  -2.183  -0.525   1.045
  180    HZ3  TRP  25           3HZ      TRP  25   0.045   0.139  -2.436
  181    HH2  TRP  25           HH       TRP  25  -0.357   0.581  -0.155
  182    H    LYS  26           H        LYS  26  -5.152  -5.269  -4.874
  183    HA   LYS  26           HA       LYS  26  -7.865  -6.114  -4.180
  184   1HB   LYS  26          2HB       LYS  26  -7.319  -8.193  -5.392
  185   2HB   LYS  26          1HB       LYS  26  -7.108  -6.770  -6.402
  186   1HG   LYS  26          2HG       LYS  26  -4.701  -7.658  -4.968
  187   2HG   LYS  26          1HG       LYS  26  -5.313  -8.770  -6.193
  188   1HD   LYS  26          2HD       LYS  26  -4.788  -5.842  -6.686
  189   2HD   LYS  26          1HD       LYS  26  -3.627  -7.125  -7.033
  190   1HE   LYS  26          2HE       LYS  26  -5.215  -8.154  -8.573
  191   2HE   LYS  26          1HE       LYS  26  -6.397  -6.898  -8.207
  192   1HZ   LYS  26          1HZ       LYS  26  -3.738  -6.435  -9.446
  193   2HZ   LYS  26          2HZ       LYS  26  -4.911  -5.254  -9.138
  194   3HZ   LYS  26          3HZ       LYS  26  -5.211  -6.467 -10.279
  195    H    ASP  27           H        ASP  27  -6.071  -5.437  -2.109
  196    HA   ASP  27           HA       ASP  27  -5.186  -6.225  -0.155
  197   1HB   ASP  27          2HB       ASP  27  -7.477  -7.030   0.110
  198   2HB   ASP  27          1HB       ASP  27  -7.074  -8.509  -0.750
  199    H    GLY  28           H        GLY  28  -3.525  -6.699  -2.305
  200   1HA   GLY  28          2HA       GLY  28  -2.701  -9.309  -2.746
  201   2HA   GLY  28          1HA       GLY  28  -1.637  -7.917  -2.828
  202    H    HIS  29           H        HIS  29  -1.107  -7.051  -0.439
  203    HA   HIS  29           HA       HIS  29  -0.599  -9.381   1.265
  204   1HB   HIS  29          2HB       HIS  29   1.435  -8.860  -0.156
  205   2HB   HIS  29          1HB       HIS  29   1.541  -7.307   0.678
  206    HD1  HIS  29           1HD      HIS  29   2.448  -7.317   3.067
  207    HD2  HIS  29           2HD      HIS  29   2.101 -11.113   1.414
  208    HE1  HIS  29           1HE      HIS  29   3.680  -8.849   4.636
  209    HE2  HIS  29           2HE      HIS  29   3.370 -11.153   3.667
  210    H    SER  30           H        SER  30  -2.061  -8.704   2.818
  211    HA   SER  30           HA       SER  30  -3.014  -7.337   4.431
  212   1HB   SER  30          2HB       SER  30  -0.086  -6.816   4.972
  213   2HB   SER  30          1HB       SER  30  -1.410  -6.727   6.142
  214    HG   SER  30           HG       SER  30  -1.002  -8.752   6.491
  215    HA   PRO  31           HA       PRO  31  -3.414  -3.335   2.105
  216   1HB   PRO  31          2HB       PRO  31  -4.771  -3.085   4.782
  217   2HB   PRO  31          1HB       PRO  31  -5.267  -2.425   3.215
  218   1HG   PRO  31          2HG       PRO  31  -6.307  -4.721   4.187
  219   2HG   PRO  31          1HG       PRO  31  -6.057  -4.442   2.457
  220   1HD   PRO  31          2HD       PRO  31  -4.701  -6.330   4.211
  221   2HD   PRO  31          1HD       PRO  31  -4.639  -6.200   2.439
  222    H    SER  32           H        SER  32  -1.915  -1.679   2.216
  223    HA   SER  32           HA       SER  32  -0.703  -1.105   4.759
  224   1HB   SER  32          2HB       SER  32   0.344  -3.192   3.871
  225   2HB   SER  32          1HB       SER  32   0.970  -2.210   2.546
  226    HG   SER  32           HG       SER  32   2.501  -2.370   4.222
  227    H    TRP  33           H        TRP  33   0.255   0.956   4.816
  228    HA   TRP  33           HA       TRP  33   0.039   2.477   2.397
  229   1HB   TRP  33          2HB       TRP  33  -0.427   3.448   4.680
  230   2HB   TRP  33          1HB       TRP  33   1.271   3.215   5.077
  231    HD1  TRP  33           HD       TRP  33   3.015   4.627   3.294
  232    HE1  TRP  33           1HE      TRP  33   2.707   7.049   2.505
  233    HE3  TRP  33           3HE      TRP  33  -1.996   5.193   4.194
  234    HZ2  TRP  33           2HZ      TRP  33   0.640   8.959   2.271
  235    HZ3  TRP  33           3HZ      TRP  33  -3.053   7.349   3.658
  236    HH2  TRP  33           HH       TRP  33  -1.762   9.190   2.713
  237    H    VAL  34           H        VAL  34   1.309   1.678   1.012
  238    HA   VAL  34           HA       VAL  34   4.147   1.903   1.346
  239    HB   VAL  34           HB       VAL  34   3.378  -0.769   0.277
  240   1HG1  VAL  34          1HG1      VAL  34   5.568   0.500   1.779
  241   2HG1  VAL  34          2HG1      VAL  34   5.640  -0.875   0.691
  242   3HG1  VAL  34          3HG1      VAL  34   5.177  -1.104   2.364
  243   1HG2  VAL  34          1HG2      VAL  34   1.780  -0.632   2.023
  244   2HG2  VAL  34          2HG2      VAL  34   3.014  -0.164   3.186
  245   3HG2  VAL  34          3HG2      VAL  34   3.047  -1.771   2.460
  246    HA   PRO  35           HA       PRO  35   3.728   2.719  -2.988
  247   1HB   PRO  35          2HB       PRO  35   5.626   1.514  -4.325
  248   2HB   PRO  35          1HB       PRO  35   6.026   2.602  -2.999
  249   1HG   PRO  35          2HG       PRO  35   5.984  -0.380  -3.067
  250   2HG   PRO  35          1HG       PRO  35   7.144   0.703  -2.282
  251   1HD   PRO  35          2HD       PRO  35   4.986  -0.563  -1.057
  252   2HD   PRO  35          1HD       PRO  35   5.886   0.808  -0.399
  253    H    SER  36           H        SER  36   1.750   2.025  -3.747
  254    HA   SER  36           HA       SER  36   0.217   0.884  -4.959
  255   1HB   SER  36          2HB       SER  36   1.654   1.762  -6.735
  256   2HB   SER  36          1HB       SER  36   2.681   0.331  -6.624
  257    HG   SER  36           HG       SER  36   1.342  -0.610  -7.922
  258    H    SER  37           H        SER  37   1.697  -0.668  -2.862
  259    HA   SER  37           HA       SER  37   0.560  -3.174  -3.508
  260   1HB   SER  37          2HB       SER  37   3.569  -3.193  -3.224
  261   2HB   SER  37          1HB       SER  37   2.516  -4.537  -3.650
  262    HG   SER  37           HG       SER  37   2.680  -3.943  -5.644
  263    H    TYR  38           H        TYR  38   3.141  -3.909  -1.541
  264    HA   TYR  38           HA       TYR  38   2.449  -2.779   0.935
  265   1HB   TYR  38          2HB       TYR  38   1.669  -5.480   1.376
  266   2HB   TYR  38          1HB       TYR  38   0.729  -4.030   1.663
  267    HD1  TYR  38           1HD      TYR  38  -1.360  -4.032   0.691
  268    HD2  TYR  38           2HD      TYR  38   1.835  -5.981  -1.313
  269    HE1  TYR  38           1HE      TYR  38  -2.871  -4.571  -1.179
  270    HE2  TYR  38           2HE      TYR  38   0.333  -6.542  -3.187
  271    HH   TYR  38           HH       TYR  38  -2.308  -5.106  -3.899
  272    H    ILE  39           H        ILE  39   4.481  -2.727   1.437
  273    HA   ILE  39           HA       ILE  39   6.071  -5.172   1.214
  274    HB   ILE  39           HB       ILE  39   7.716  -4.137   0.045
  275   1HG1  ILE  39          2HG1      ILE  39   7.119  -1.723   1.723
  276   2HG1  ILE  39          1HG1      ILE  39   8.639  -2.563   1.490
  277   1HG2  ILE  39          1HG2      ILE  39   6.787  -2.456  -1.547
  278   2HG2  ILE  39          2HG2      ILE  39   5.362  -2.321  -0.512
  279   3HG2  ILE  39          3HG2      ILE  39   5.724  -3.843  -1.303
  280   1HD1  ILE  39          1HD1      ILE  39   8.889  -0.472   0.461
  281   2HD1  ILE  39          2HD1      ILE  39   7.318  -0.582  -0.332
  282   3HD1  ILE  39          3HD1      ILE  39   8.644  -1.618  -0.857
  283    H    ALA  40           H        ALA  40   4.602  -4.320   3.418
  284    HA   ALA  40           HA       ALA  40   6.037  -2.822   5.300
  285   1HB   ALA  40          1HB       ALA  40   4.506  -3.710   6.909
  286   2HB   ALA  40          2HB       ALA  40   4.106  -5.057   5.843
  287   3HB   ALA  40          3HB       ALA  40   3.643  -3.415   5.397
  288    H    ALA  41           H        ALA  41   8.165  -3.396   5.355
  289    HA   ALA  41           HA       ALA  41   9.114  -5.083   7.270
  290   1HB   ALA  41          1HB       ALA  41   8.327  -7.035   6.166
  291   2HB   ALA  41          2HB       ALA  41  10.067  -6.977   5.893
  292   3HB   ALA  41          3HB       ALA  41   8.956  -6.493   4.611
  293    H    ASP  42           H        ASP  42   9.935  -4.604   3.843
  294    HA   ASP  42           HA       ASP  42  11.684  -2.568   3.895
  295   1HB   ASP  42          2HB       ASP  42  13.953  -3.730   4.046
  296   2HB   ASP  42          1HB       ASP  42  13.106  -3.477   5.567
  297    H    VAL  43           H        VAL  43  10.568  -2.747   1.813
  298    HA   VAL  43           HA       VAL  43  12.289  -4.045  -0.144
  299    HB   VAL  43           HB       VAL  43   9.432  -4.583  -0.685
  300   1HG1  VAL  43          1HG1      VAL  43  10.564  -5.600  -2.322
  301   2HG1  VAL  43          2HG1      VAL  43  10.850  -6.873  -1.137
  302   3HG1  VAL  43          3HG1      VAL  43  12.065  -5.621  -1.395
  303   1HG2  VAL  43          1HG2      VAL  43  10.935  -6.222   1.357
  304   2HG2  VAL  43          2HG2      VAL  43   9.377  -6.640   0.644
  305   3HG2  VAL  43          3HG2      VAL  43   9.522  -5.216   1.675
  306    H    VAL  44           H        VAL  44  10.673  -3.675  -2.414
  307    HA   VAL  44           HA       VAL  44   9.765  -0.919  -2.294
  308    HB   VAL  44           HB       VAL  44  11.210  -0.034  -3.918
  309   1HG1  VAL  44          1HG1      VAL  44  12.143  -0.393  -1.600
  310   2HG1  VAL  44          2HG1      VAL  44  13.329  -0.131  -2.875
  311   3HG1  VAL  44          3HG1      VAL  44  13.037  -1.758  -2.263
  312   1HG2  VAL  44          1HG2      VAL  44  12.242  -2.837  -4.375
  313   2HG2  VAL  44          2HG2      VAL  44  12.948  -1.380  -5.075
  314   3HG2  VAL  44          3HG2      VAL  44  11.305  -1.856  -5.502
  315    H    SER  45           H        SER  45   7.956  -0.742  -3.327
  316    HA   SER  45           HA       SER  45   6.323  -0.878  -4.879
  317   1HB   SER  45          2HB       SER  45   8.150  -0.545  -6.509
  318   2HB   SER  45          1HB       SER  45   8.359  -2.293  -6.601
  319    HG   SER  45           HG       SER  45   6.569  -2.468  -7.741
  320    H    GLU  46           H        GLU  46   7.383  -3.390  -3.198
  321    HA   GLU  46           HA       GLU  46   5.070  -4.918  -3.477
  322   1HB   GLU  46          2HB       GLU  46   5.981  -5.453  -5.713
  323   2HB   GLU  46          1HB       GLU  46   7.425  -6.108  -4.960
  324   1HG   GLU  46          2HG       GLU  46   6.096  -7.834  -3.878
  325   2HG   GLU  46          1HG       GLU  46   4.631  -7.165  -4.596
  326    H    TYR  47           H        TYR  47   5.085  -6.906  -2.265
  327    HA   TYR  47           HA       TYR  47   6.526  -6.723   0.130
  328   1HB   TYR  47          2HB       TYR  47   5.581  -8.965   0.633
  329   2HB   TYR  47          1HB       TYR  47   4.371  -7.824   0.058
  330    HD1  TYR  47           1HD      TYR  47   6.031 -10.982  -0.546
  331    HD2  TYR  47           2HD      TYR  47   3.512  -8.026  -2.286
  332    HE1  TYR  47           1HE      TYR  47   5.356 -12.586  -2.282
  333    HE2  TYR  47           2HE      TYR  47   2.828  -9.624  -4.024
  334    HH   TYR  47           HH       TYR  47   3.474 -12.946  -3.824
  Start of MODEL    5
    1   1H    GLY   1          1HT       GLY   1 -15.931  -4.588   7.614
    2   2H    GLY   1          2HT       GLY   1 -14.835  -4.806   6.343
    3   3H    GLY   1          3HT       GLY   1 -16.037  -3.622   6.228
    4   1HA   GLY   1          1HA       GLY   1 -15.049  -2.385   8.050
    5   2HA   GLY   1          2HA       GLY   1 -13.805  -3.619   8.186
    6    H    SER   2           H        SER   2 -12.383  -1.724   7.905
    7    HA   SER   2           HA       SER   2 -12.237  -0.697   5.176
    8   1HB   SER   2          2HB       SER   2 -10.530   0.846   6.079
    9   2HB   SER   2          1HB       SER   2 -12.035   0.930   6.994
   10    HG   SER   2           HG       SER   2 -10.441   0.789   8.493
   11    H    GLY   3           H        GLY   3  -9.868  -0.404   4.373
   12   1HA   GLY   3          2HA       GLY   3  -7.802  -1.325   3.855
   13   2HA   GLY   3          1HA       GLY   3  -8.060  -2.538   5.095
   14    H    GLU   4           H        GLU   4  -7.101  -2.713   2.254
   15    HA   GLU   4           HA       GLU   4  -7.423  -3.978   0.382
   16   1HB   GLU   4          2HB       GLU   4  -7.284  -6.140   1.012
   17   2HB   GLU   4          1HB       GLU   4  -7.452  -5.536   2.645
   18   1HG   GLU   4          2HG       GLU   4  -9.947  -5.863   2.378
   19   2HG   GLU   4          1HG       GLU   4  -9.569  -6.747   0.898
   20    H    VAL   5           H        VAL   5  -9.529  -2.064   1.081
   21    HA   VAL   5           HA       VAL   5 -11.936  -3.285  -0.067
   22    HB   VAL   5           HB       VAL   5 -11.709  -0.534   1.094
   23   1HG1  VAL   5          1HG1      VAL   5 -14.128  -0.869   1.530
   24   2HG1  VAL   5          2HG1      VAL   5 -14.028  -2.445   0.744
   25   3HG1  VAL   5          3HG1      VAL   5 -13.722  -0.977  -0.183
   26   1HG2  VAL   5          1HG2      VAL   5 -12.699  -1.653   3.196
   27   2HG2  VAL   5          2HG2      VAL   5 -10.966  -1.791   2.909
   28   3HG2  VAL   5          3HG2      VAL   5 -12.030  -3.147   2.538
   29    H    ASN   6           H        ASN   6  -9.310  -1.424  -1.020
   30    HA   ASN   6           HA       ASN   6  -8.928   0.193  -2.607
   31   1HB   ASN   6          2HB       ASN   6  -9.996  -0.532  -4.838
   32   2HB   ASN   6          1HB       ASN   6  -8.904  -1.638  -4.020
   33   1HD2  ASN   6          1HD2      ASN   6  -9.569  -3.524  -3.307
   34   2HD2  ASN   6          2HD2      ASN   6 -11.164  -4.154  -3.553
   35    H    LYS   7           H        LYS   7 -10.136   1.845  -1.353
   36    HA   LYS   7           HA       LYS   7 -12.235   2.998  -2.991
   37   1HB   LYS   7          2HB       LYS   7 -13.623   3.323  -0.813
   38   2HB   LYS   7          1HB       LYS   7 -13.693   1.783  -1.660
   39   1HG   LYS   7          2HG       LYS   7 -12.711   0.669   0.005
   40   2HG   LYS   7          1HG       LYS   7 -11.558   1.964   0.354
   41   1HD   LYS   7          2HD       LYS   7 -13.391   3.196   1.496
   42   2HD   LYS   7          1HD       LYS   7 -14.462   1.826   1.205
   43   1HE   LYS   7          2HE       LYS   7 -13.535   1.789   3.472
   44   2HE   LYS   7          1HE       LYS   7 -13.022   0.390   2.530
   45   1HZ   LYS   7          1HZ       LYS   7 -10.904   1.471   2.130
   46   2HZ   LYS   7          2HZ       LYS   7 -11.193   1.343   3.793
   47   3HZ   LYS   7          3HZ       LYS   7 -11.398   2.829   3.011
   48    H    ILE   8           H        ILE   8 -12.242   4.136   0.267
   49    HA   ILE   8           HA       ILE   8 -11.053   6.635  -0.553
   50    HB   ILE   8           HB       ILE   8 -13.079   6.553   0.874
   51   1HG1  ILE   8          2HG1      ILE   8 -11.455   8.489   0.866
   52   2HG1  ILE   8          1HG1      ILE   8 -12.475   8.368   2.295
   53   1HG2  ILE   8          1HG2      ILE   8 -12.173   4.541   2.190
   54   2HG2  ILE   8          2HG2      ILE   8 -13.114   5.757   3.053
   55   3HG2  ILE   8          3HG2      ILE   8 -11.357   5.748   3.182
   56   1HD1  ILE   8          1HD1      ILE   8 -10.479   7.113   3.333
   57   2HD1  ILE   8          2HD1      ILE   8 -10.392   8.865   3.159
   58   3HD1  ILE   8          3HD1      ILE   8  -9.551   7.825   2.011
   59    H    ILE   9           H        ILE   9  -8.882   6.523  -0.719
   60    HA   ILE   9           HA       ILE   9  -7.418   5.976   1.688
   61    HB   ILE   9           HB       ILE   9  -7.897   3.818   0.544
   62   1HG1  ILE   9          2HG1      ILE   9  -5.855   2.821   1.186
   63   2HG1  ILE   9          1HG1      ILE   9  -4.949   4.290   0.883
   64   1HG2  ILE   9          1HG2      ILE   9  -6.033   4.951  -1.467
   65   2HG2  ILE   9          2HG2      ILE   9  -7.636   4.254  -1.698
   66   3HG2  ILE   9          3HG2      ILE   9  -6.284   3.215  -1.269
   67   1HD1  ILE   9          1HD1      ILE   9  -5.625   5.257   2.850
   68   2HD1  ILE   9          2HD1      ILE   9  -5.546   3.554   3.307
   69   3HD1  ILE   9          3HD1      ILE   9  -7.101   4.297   2.935
   70    H    GLY  10           H        GLY  10  -4.913   6.084   1.137
   71   1HA   GLY  10          2HA       GLY  10  -4.488   8.333  -0.683
   72   2HA   GLY  10          1HA       GLY  10  -4.032   8.509   1.006
   73    H    SER  11           H        SER  11  -2.053   8.863  -0.770
   74    HA   SER  11           HA       SER  11  -0.405   6.543  -0.300
   75   1HB   SER  11          2HB       SER  11   0.298   6.727  -2.830
   76   2HB   SER  11          1HB       SER  11  -1.129   5.791  -2.383
   77    HG   SER  11           HG       SER  11  -1.104   7.649  -4.112
   78    H    ARG  12           H        ARG  12   1.146   7.589   0.831
   79    HA   ARG  12           HA       ARG  12   2.960   9.271  -0.668
   80   1HB   ARG  12          2HB       ARG  12   1.443  10.977   0.130
   81   2HB   ARG  12          1HB       ARG  12   1.528  10.345   1.768
   82   1HG   ARG  12          2HG       ARG  12   2.864  12.389   1.445
   83   2HG   ARG  12          1HG       ARG  12   3.833  11.005   1.958
   84   1HD   ARG  12          2HD       ARG  12   4.652  10.667  -0.260
   85   2HD   ARG  12          1HD       ARG  12   3.530  11.857  -0.916
   86    HE   ARG  12           HE       ARG  12   6.031  12.373   0.443
   87   1HH1  ARG  12          1HH1      ARG  12   2.983  13.685  -0.630
   88   2HH1  ARG  12          2HH1      ARG  12   3.551  15.321  -0.653
   89   1HH2  ARG  12          1HH2      ARG  12   6.782  14.525   0.418
   90   2HH2  ARG  12          2HH2      ARG  12   5.707  15.798  -0.059
   91    H    THR  13           H        THR  13   4.735   7.887  -0.261
   92    HA   THR  13           HA       THR  13   5.251   7.428   2.586
   93    HB   THR  13           HB       THR  13   6.518   5.614   0.636
   94    HG1  THR  13           1HG      THR  13   4.657   4.298   0.683
   95   1HG2  THR  13          1HG2      THR  13   5.452   5.345   3.431
   96   2HG2  THR  13          2HG2      THR  13   7.143   5.399   2.938
   97   3HG2  THR  13          3HG2      THR  13   6.141   4.016   2.499
   98    H    ALA  14           H        ALA  14   7.510   6.936  -0.115
   99    HA   ALA  14           HA       ALA  14   9.144   9.124   0.890
  100   1HB   ALA  14          1HB       ALA  14   9.779   7.337   2.387
  101   2HB   ALA  14          2HB       ALA  14  11.112   7.709   1.294
  102   3HB   ALA  14          3HB       ALA  14  10.118   6.277   1.020
  103    H    GLY  15           H        GLY  15   9.380   6.201  -1.164
  104   1HA   GLY  15          2HA       GLY  15   9.370   6.636  -3.609
  105   2HA   GLY  15          1HA       GLY  15  10.449   7.983  -3.279
  106    H    GLU  16           H        GLU  16  11.960   6.426  -1.277
  107    HA   GLU  16           HA       GLU  16  13.986   5.432  -2.930
  108   1HB   GLU  16          2HB       GLU  16  14.088   6.131  -0.458
  109   2HB   GLU  16          1HB       GLU  16  13.516   4.509  -0.098
  110   1HG   GLU  16          2HG       GLU  16  15.903   4.579   0.118
  111   2HG   GLU  16          1HG       GLU  16  15.471   3.583  -1.271
  112    H    GLY  17           H        GLY  17  11.215   3.961  -1.439
  113   1HA   GLY  17          2HA       GLY  17  11.473   1.642  -3.179
  114   2HA   GLY  17          1HA       GLY  17  11.471   1.325  -1.449
  115    H    ALA  18           H        ALA  18   9.652   3.159  -0.533
  116    HA   ALA  18           HA       ALA  18   7.172   2.356  -1.863
  117   1HB   ALA  18          1HB       ALA  18   6.079   2.435   0.314
  118   2HB   ALA  18          2HB       ALA  18   7.607   2.914   1.059
  119   3HB   ALA  18          3HB       ALA  18   7.440   1.308   0.339
  120    H    MET  19           H        MET  19   5.454   3.905  -1.948
  121    HA   MET  19           HA       MET  19   5.896   6.569  -0.970
  122   1HB   MET  19          2HB       MET  19   7.066   5.996  -3.410
  123   2HB   MET  19          1HB       MET  19   5.542   6.747  -3.863
  124   1HG   MET  19          2HG       MET  19   6.113   8.623  -2.320
  125   2HG   MET  19          1HG       MET  19   7.696   7.883  -2.134
  126   1HE   MET  19          1HE       MET  19   6.054   9.656  -6.058
  127   2HE   MET  19          2HE       MET  19   5.250   9.785  -4.493
  128   3HE   MET  19          3HE       MET  19   5.365   8.221  -5.299
  129    H    GLU  20           H        GLU  20   3.811   4.414  -1.043
  130    HA   GLU  20           HA       GLU  20   1.601   6.196  -1.578
  131   1HB   GLU  20          2HB       GLU  20   1.448   3.485  -2.809
  132   2HB   GLU  20          1HB       GLU  20   0.534   4.901  -3.211
  133   1HG   GLU  20          2HG       GLU  20   2.675   5.880  -4.108
  134   2HG   GLU  20          1HG       GLU  20   3.390   4.272  -3.900
  135    H    TYR  21           H        TYR  21  -0.565   4.739  -1.039
  136    HA   TYR  21           HA       TYR  21  -0.055   2.843   1.032
  137   1HB   TYR  21          2HB       TYR  21   0.203   4.447   2.541
  138   2HB   TYR  21          1HB       TYR  21  -0.590   5.647   1.572
  139    HD1  TYR  21           1HD      TYR  21  -2.389   6.705   2.737
  140    HD2  TYR  21           2HD      TYR  21  -1.581   2.557   3.336
  141    HE1  TYR  21           1HE      TYR  21  -4.353   6.520   4.207
  142    HE2  TYR  21           2HE      TYR  21  -3.500   2.384   4.823
  143    HH   TYR  21           HH       TYR  21  -5.891   4.779   5.044
  144    H    LEU  22           H        LEU  22  -1.823   3.399  -1.473
  145    HA   LEU  22           HA       LEU  22  -4.338   2.934  -0.293
  146   1HB   LEU  22          2HB       LEU  22  -5.095   2.841  -2.735
  147   2HB   LEU  22          1HB       LEU  22  -4.448   4.354  -2.138
  148    HG   LEU  22           HG       LEU  22  -2.344   3.973  -3.251
  149   1HD1  LEU  22          1HD1      LEU  22  -3.521   1.292  -3.898
  150   2HD1  LEU  22          2HD1      LEU  22  -1.978   1.664  -3.127
  151   3HD1  LEU  22          3HD1      LEU  22  -2.210   1.994  -4.844
  152   1HD2  LEU  22          1HD2      LEU  22  -3.099   4.057  -5.567
  153   2HD2  LEU  22          2HD2      LEU  22  -4.143   5.021  -4.522
  154   3HD2  LEU  22          3HD2      LEU  22  -4.677   3.436  -5.082
  155    H    ILE  23           H        ILE  23  -5.565   1.457  -0.094
  156    HA   ILE  23           HA       ILE  23  -4.705  -1.210  -0.296
  157    HB   ILE  23           HB       ILE  23  -6.830  -1.793   0.637
  158   1HG1  ILE  23          2HG1      ILE  23  -8.050  -0.028  -0.848
  159   2HG1  ILE  23          1HG1      ILE  23  -8.716  -0.435   0.719
  160   1HG2  ILE  23          1HG2      ILE  23  -6.842  -0.231   2.626
  161   2HG2  ILE  23          2HG2      ILE  23  -5.591   0.687   1.796
  162   3HG2  ILE  23          3HG2      ILE  23  -5.298  -0.991   2.246
  163   1HD1  ILE  23          1HD1      ILE  23  -7.372   2.050  -0.178
  164   2HD1  ILE  23          2HD1      ILE  23  -7.402   1.634   1.533
  165   3HD1  ILE  23          3HD1      ILE  23  -8.910   1.839   0.647
  166    H    GLU  24           H        GLU  24  -5.280   0.573  -2.790
  167    HA   GLU  24           HA       GLU  24  -7.264  -0.850  -4.199
  168   1HB   GLU  24          2HB       GLU  24  -7.039   1.446  -4.652
  169   2HB   GLU  24          1HB       GLU  24  -5.300   1.322  -4.863
  170   1HG   GLU  24          2HG       GLU  24  -5.550   0.248  -6.971
  171   2HG   GLU  24          1HG       GLU  24  -7.279   0.013  -6.718
  172    H    TRP  25           H        TRP  25  -4.638  -2.148  -3.158
  173    HA   TRP  25           HA       TRP  25  -3.556  -3.202  -5.627
  174   1HB   TRP  25          2HB       TRP  25  -2.306  -4.640  -3.677
  175   2HB   TRP  25          1HB       TRP  25  -1.709  -3.116  -4.311
  176    HD1  TRP  25           HD       TRP  25  -3.957  -4.285  -1.313
  177    HE1  TRP  25           1HE      TRP  25  -3.388  -2.715   0.706
  178    HE3  TRP  25           3HE      TRP  25  -0.605  -1.094  -3.524
  179    HZ2  TRP  25           2HZ      TRP  25  -1.911  -0.541   1.193
  180    HZ3  TRP  25           3HZ      TRP  25   0.374   0.672  -2.111
  181    HH2  TRP  25           HH       TRP  25  -0.281   0.982   0.171
  182    H    LYS  26           H        LYS  26  -6.312  -3.746  -4.925
  183    HA   LYS  26           HA       LYS  26  -7.823  -5.415  -4.697
  184   1HB   LYS  26          2HB       LYS  26  -7.382  -7.386  -6.070
  185   2HB   LYS  26          1HB       LYS  26  -6.903  -5.918  -6.910
  186   1HG   LYS  26          2HG       LYS  26  -4.579  -6.344  -6.409
  187   2HG   LYS  26          1HG       LYS  26  -5.019  -7.761  -5.452
  188   1HD   LYS  26          2HD       LYS  26  -5.939  -8.826  -7.454
  189   2HD   LYS  26          1HD       LYS  26  -5.511  -7.405  -8.410
  190   1HE   LYS  26          2HE       LYS  26  -3.150  -7.769  -7.904
  191   2HE   LYS  26          1HE       LYS  26  -3.570  -9.176  -6.927
  192   1HZ   LYS  26          1HZ       LYS  26  -4.071  -8.894  -9.842
  193   2HZ   LYS  26          2HZ       LYS  26  -4.447 -10.249  -8.902
  194   3HZ   LYS  26          3HZ       LYS  26  -2.831  -9.809  -9.142
  195    H    ASP  27           H        ASP  27  -6.074  -5.092  -2.437
  196    HA   ASP  27           HA       ASP  27  -5.702  -6.153  -0.450
  197   1HB   ASP  27          2HB       ASP  27  -7.049  -8.644  -1.436
  198   2HB   ASP  27          1HB       ASP  27  -7.083  -7.924   0.169
  199    H    GLY  28           H        GLY  28  -3.989  -6.516  -2.899
  200   1HA   GLY  28          2HA       GLY  28  -2.894  -8.984  -3.256
  201   2HA   GLY  28          1HA       GLY  28  -1.937  -7.508  -3.257
  202    H    HIS  29           H        HIS  29  -1.392  -6.677  -0.987
  203    HA   HIS  29           HA       HIS  29  -1.005  -8.895   0.854
  204   1HB   HIS  29          2HB       HIS  29   1.037  -7.532  -0.641
  205   2HB   HIS  29          1HB       HIS  29   1.276  -7.214   1.073
  206    HD1  HIS  29           1HD      HIS  29   2.261  -9.506  -1.423
  207    HD2  HIS  29           2HD      HIS  29   1.096  -9.898   2.546
  208    HE1  HIS  29           1HE      HIS  29   3.152 -11.736  -0.679
  209    HE2  HIS  29           2HE      HIS  29   2.327 -12.004   1.686
  210    H    SER  30           H        SER  30  -2.456  -8.241   2.295
  211    HA   SER  30           HA       SER  30  -3.553  -6.947   3.849
  212   1HB   SER  30          2HB       SER  30  -1.572  -7.917   4.927
  213   2HB   SER  30          1HB       SER  30  -0.666  -6.443   4.535
  214    HG   SER  30           HG       SER  30  -2.452  -6.921   6.554
  215    HA   PRO  31           HA       PRO  31  -4.126  -2.507   2.380
  216   1HB   PRO  31          2HB       PRO  31  -5.083  -2.352   5.155
  217   2HB   PRO  31          1HB       PRO  31  -5.983  -2.100   3.662
  218   1HG   PRO  31          2HG       PRO  31  -5.765  -4.519   5.315
  219   2HG   PRO  31          1HG       PRO  31  -6.952  -4.134   4.069
  220   1HD   PRO  31          2HD       PRO  31  -5.151  -6.049   3.661
  221   2HD   PRO  31          1HD       PRO  31  -5.583  -4.942   2.341
  222    H    SER  32           H        SER  32  -2.356  -1.233   2.476
  223    HA   SER  32           HA       SER  32  -1.034  -0.782   5.002
  224   1HB   SER  32          2HB       SER  32  -0.014  -2.834   4.166
  225   2HB   SER  32          1HB       SER  32   0.509  -1.962   2.714
  226    HG   SER  32           HG       SER  32   2.089  -1.130   3.828
  227    H    TRP  33           H        TRP  33   1.145   0.430   4.552
  228    HA   TRP  33           HA       TRP  33   0.460   2.595   2.708
  229   1HB   TRP  33          2HB       TRP  33   0.802   2.983   5.224
  230   2HB   TRP  33          1HB       TRP  33   2.495   2.593   4.967
  231    HD1  TRP  33           HD       TRP  33   3.816   4.325   3.220
  232    HE1  TRP  33           1HE      TRP  33   3.518   6.860   2.987
  233    HE3  TRP  33           3HE      TRP  33  -0.749   4.851   5.464
  234    HZ2  TRP  33           2HZ      TRP  33   1.609   8.841   3.642
  235    HZ3  TRP  33           3HZ      TRP  33  -1.741   7.099   5.610
  236    HH2  TRP  33           HH       TRP  33  -0.585   9.051   4.703
  237    H    VAL  34           H        VAL  34   1.312   1.676   0.817
  238    HA   VAL  34           HA       VAL  34   4.126   1.940   0.437
  239    HB   VAL  34           HB       VAL  34   3.233  -0.541   1.231
  240   1HG1  VAL  34          1HG1      VAL  34   3.295  -0.616  -1.741
  241   2HG1  VAL  34          2HG1      VAL  34   2.193  -1.361  -0.616
  242   3HG1  VAL  34          3HG1      VAL  34   3.818  -1.986  -0.806
  243   1HG2  VAL  34          1HG2      VAL  34   5.739  -0.411  -0.296
  244   2HG2  VAL  34          2HG2      VAL  34   5.401  -1.006   1.317
  245   3HG2  VAL  34          3HG2      VAL  34   5.520   0.722   1.028
  246    HA   PRO  35           HA       PRO  35   2.677   2.479  -3.777
  247   1HB   PRO  35          2HB       PRO  35   4.756   2.013  -5.258
  248   2HB   PRO  35          1HB       PRO  35   4.916   3.158  -3.921
  249   1HG   PRO  35          2HG       PRO  35   5.749   0.301  -4.079
  250   2HG   PRO  35          1HG       PRO  35   6.637   1.679  -3.428
  251   1HD   PRO  35          2HD       PRO  35   5.100  -0.133  -1.977
  252   2HD   PRO  35          1HD       PRO  35   5.620   1.448  -1.381
  253    H    SER  36           H        SER  36   1.117   1.259  -4.660
  254    HA   SER  36           HA       SER  36   0.206  -0.128  -6.203
  255   1HB   SER  36          2HB       SER  36   2.172   0.278  -7.561
  256   2HB   SER  36          1HB       SER  36   3.046  -0.998  -6.714
  257    HG   SER  36           HG       SER  36   2.204  -2.321  -8.093
  258    H    SER  37           H        SER  37   1.828  -1.405  -3.469
  259    HA   SER  37           HA       SER  37   0.086  -3.674  -3.623
  260   1HB   SER  37          2HB       SER  37   3.055  -4.184  -3.800
  261   2HB   SER  37          1HB       SER  37   1.826  -5.418  -3.538
  262    HG   SER  37           HG       SER  37   0.892  -4.547  -5.579
  263    H    TYR  38           H        TYR  38   3.178  -3.761  -1.954
  264    HA   TYR  38           HA       TYR  38   2.410  -2.879   0.556
  265   1HB   TYR  38          2HB       TYR  38   0.681  -4.490   0.562
  266   2HB   TYR  38          1HB       TYR  38   1.811  -5.759   0.091
  267    HD1  TYR  38           1HD      TYR  38   0.291  -4.008   2.692
  268    HD2  TYR  38           2HD      TYR  38   3.674  -6.321   1.785
  269    HE1  TYR  38           1HE      TYR  38   0.571  -4.426   5.073
  270    HE2  TYR  38           2HE      TYR  38   4.033  -6.786   4.167
  271    HH   TYR  38           HH       TYR  38   3.439  -5.775   6.354
  272    H    ILE  39           H        ILE  39   4.129  -2.987   1.921
  273    HA   ILE  39           HA       ILE  39   6.083  -5.013   1.801
  274    HB   ILE  39           HB       ILE  39   7.460  -4.347   0.217
  275   1HG1  ILE  39          2HG1      ILE  39   8.715  -3.101   1.941
  276   2HG1  ILE  39          1HG1      ILE  39   8.886  -2.419   0.340
  277   1HG2  ILE  39          1HG2      ILE  39   6.029  -3.490  -1.243
  278   2HG2  ILE  39          2HG2      ILE  39   6.942  -2.017  -0.954
  279   3HG2  ILE  39          3HG2      ILE  39   5.417  -2.287  -0.137
  280   1HD1  ILE  39          1HD1      ILE  39   7.564  -0.561   0.860
  281   2HD1  ILE  39          2HD1      ILE  39   8.633  -0.791   2.237
  282   3HD1  ILE  39          3HD1      ILE  39   6.954  -1.295   2.338
  283    H    ALA  40           H        ALA  40   4.350  -3.833   3.630
  284    HA   ALA  40           HA       ALA  40   5.682  -1.931   5.280
  285   1HB   ALA  40          1HB       ALA  40   3.483  -3.857   5.988
  286   2HB   ALA  40          2HB       ALA  40   3.273  -2.236   5.329
  287   3HB   ALA  40          3HB       ALA  40   3.975  -2.451   6.931
  288    H    ALA  41           H        ALA  41   7.733  -2.604   5.693
  289    HA   ALA  41           HA       ALA  41   8.431  -3.820   7.985
  290   1HB   ALA  41          1HB       ALA  41   7.484  -5.920   7.509
  291   2HB   ALA  41          2HB       ALA  41   9.207  -6.130   7.200
  292   3HB   ALA  41          3HB       ALA  41   8.090  -5.915   5.853
  293    H    ASP  42           H        ASP  42   9.149  -3.322   4.619
  294    HA   ASP  42           HA       ASP  42  11.995  -3.100   5.322
  295   1HB   ASP  42          2HB       ASP  42  10.771  -4.006   2.715
  296   2HB   ASP  42          1HB       ASP  42  12.482  -3.651   2.929
  297    H    VAL  43           H        VAL  43  10.541  -2.134   2.255
  298    HA   VAL  43           HA       VAL  43  10.207   0.556   2.637
  299    HB   VAL  43           HB       VAL  43  12.520   0.708   3.378
  300   1HG1  VAL  43          1HG1      VAL  43  13.405  -1.231   2.181
  301   2HG1  VAL  43          2HG1      VAL  43  14.378   0.209   1.884
  302   3HG1  VAL  43          3HG1      VAL  43  13.249  -0.361   0.655
  303   1HG2  VAL  43          1HG2      VAL  43  11.584   2.612   2.184
  304   2HG2  VAL  43          2HG2      VAL  43  12.116   1.926   0.649
  305   3HG2  VAL  43          3HG2      VAL  43  13.306   2.448   1.841
  306    H    VAL  44           H        VAL  44  11.391  -1.949   0.484
  307    HA   VAL  44           HA       VAL  44  11.393  -0.680  -1.957
  308    HB   VAL  44           HB       VAL  44  11.097  -2.922  -2.932
  309   1HG1  VAL  44          1HG1      VAL  44  12.981  -4.012  -1.839
  310   2HG1  VAL  44          2HG1      VAL  44  12.823  -2.915  -0.467
  311   3HG1  VAL  44          3HG1      VAL  44  13.274  -2.286  -2.051
  312   1HG2  VAL  44          1HG2      VAL  44  10.693  -4.000  -0.165
  313   2HG2  VAL  44          2HG2      VAL  44  10.442  -4.804  -1.714
  314   3HG2  VAL  44          3HG2      VAL  44   9.325  -3.550  -1.178
  315    H    SER  45           H        SER  45   9.675  -1.859  -3.705
  316    HA   SER  45           HA       SER  45   7.110  -0.600  -3.024
  317   1HB   SER  45          2HB       SER  45   8.085   0.477  -4.875
  318   2HB   SER  45          1HB       SER  45   8.601  -1.040  -5.604
  319    HG   SER  45           HG       SER  45   6.787  -1.040  -6.639
  320    H    GLU  46           H        GLU  46   7.954  -3.546  -2.517
  321    HA   GLU  46           HA       GLU  46   5.435  -4.678  -3.124
  322   1HB   GLU  46          2HB       GLU  46   6.268  -4.764  -5.397
  323   2HB   GLU  46          1HB       GLU  46   7.725  -5.592  -4.864
  324   1HG   GLU  46          2HG       GLU  46   6.405  -7.517  -4.187
  325   2HG   GLU  46          1HG       GLU  46   4.927  -6.686  -4.669
  326    H    TYR  47           H        TYR  47   5.018  -6.468  -1.930
  327    HA   TYR  47           HA       TYR  47   7.225  -7.545  -0.331
  328   1HB   TYR  47          2HB       TYR  47   5.400  -6.604   0.965
  329   2HB   TYR  47          1HB       TYR  47   4.218  -7.620   0.138
  330    HD1  TYR  47           1HD      TYR  47   7.510  -8.921   1.133
  331    HD2  TYR  47           2HD      TYR  47   3.407  -8.579   2.211
  332    HE1  TYR  47           1HE      TYR  47   7.824 -10.649   2.854
  333    HE2  TYR  47           2HE      TYR  47   3.711 -10.306   3.935
  334    HH   TYR  47           HH       TYR  47   5.217 -12.160   4.441
  Start of MODEL    6
    1   1H    GLY   1          1HT       GLY   1 -13.377  -3.165   7.719
    2   2H    GLY   1          2HT       GLY   1 -14.300  -1.982   8.500
    3   3H    GLY   1          3HT       GLY   1 -14.272  -3.564   9.099
    4   1HA   GLY   1          1HA       GLY   1 -12.894  -2.136  10.461
    5   2HA   GLY   1          2HA       GLY   1 -11.935  -3.362   9.645
    6    H    SER   2           H        SER   2 -10.227  -2.719   8.488
    7    HA   SER   2           HA       SER   2 -10.142  -0.090   7.283
    8   1HB   SER   2          2HB       SER   2  -8.175  -0.859   9.454
    9   2HB   SER   2          1HB       SER   2  -8.051   0.569   8.428
   10    HG   SER   2           HG       SER   2  -9.649   0.102  10.611
   11    H    GLY   3           H        GLY   3  -8.658   0.070   5.619
   12   1HA   GLY   3          2HA       GLY   3  -7.132  -0.628   4.044
   13   2HA   GLY   3          1HA       GLY   3  -6.543  -1.791   5.221
   14    H    GLU   4           H        GLU   4  -6.705  -2.390   2.514
   15    HA   GLU   4           HA       GLU   4  -7.412  -4.006   1.094
   16   1HB   GLU   4          2HB       GLU   4  -6.963  -5.636   2.646
   17   2HB   GLU   4          1HB       GLU   4  -8.172  -5.054   3.783
   18   1HG   GLU   4          2HG       GLU   4  -9.939  -6.028   2.468
   19   2HG   GLU   4          1HG       GLU   4  -8.795  -6.505   1.216
   20    H    VAL   5           H        VAL   5  -9.277  -1.692   2.012
   21    HA   VAL   5           HA       VAL   5 -11.914  -2.718   1.483
   22    HB   VAL   5           HB       VAL   5 -11.129   0.189   1.471
   23   1HG1  VAL   5          1HG1      VAL   5 -13.675  -1.219   2.275
   24   2HG1  VAL   5          2HG1      VAL   5 -13.399  -0.410   0.733
   25   3HG1  VAL   5          3HG1      VAL   5 -13.412   0.524   2.229
   26   1HG2  VAL   5          1HG2      VAL   5 -11.737  -1.535   3.874
   27   2HG2  VAL   5          2HG2      VAL   5 -11.562   0.219   3.889
   28   3HG2  VAL   5          3HG2      VAL   5 -10.182  -0.802   3.485
   29    H    ASN   6           H        ASN   6  -9.426  -1.003  -0.305
   30    HA   ASN   6           HA       ASN   6  -9.170  -0.484  -2.502
   31   1HB   ASN   6          2HB       ASN   6  -9.512  -2.932  -2.737
   32   2HB   ASN   6          1HB       ASN   6 -11.241  -2.651  -2.923
   33   1HD2  ASN   6          1HD2      ASN   6  -9.150  -3.790  -4.717
   34   2HD2  ASN   6          2HD2      ASN   6  -9.304  -2.903  -6.192
   35    H    LYS   7           H        LYS   7 -10.023   1.605  -2.342
   36    HA   LYS   7           HA       LYS   7 -12.510   1.977  -3.770
   37   1HB   LYS   7          2HB       LYS   7 -13.227   3.660  -1.933
   38   2HB   LYS   7          1HB       LYS   7 -13.530   1.947  -1.691
   39   1HG   LYS   7          2HG       LYS   7 -11.177   2.047  -0.473
   40   2HG   LYS   7          1HG       LYS   7 -11.615   3.750  -0.310
   41   1HD   LYS   7          2HD       LYS   7 -13.522   1.570   0.458
   42   2HD   LYS   7          1HD       LYS   7 -12.301   2.173   1.581
   43   1HE   LYS   7          2HE       LYS   7 -14.444   3.812   0.226
   44   2HE   LYS   7          1HE       LYS   7 -14.447   3.293   1.911
   45   1HZ   LYS   7          1HZ       LYS   7 -12.378   4.582   2.214
   46   2HZ   LYS   7          2HZ       LYS   7 -13.702   5.546   1.792
   47   3HZ   LYS   7          3HZ       LYS   7 -12.531   5.168   0.633
   48    H    ILE   8           H        ILE   8 -10.384   3.958  -1.729
   49    HA   ILE   8           HA       ILE   8  -9.662   5.591  -4.045
   50    HB   ILE   8           HB       ILE   8 -11.558   6.700  -2.899
   51   1HG1  ILE   8          2HG1      ILE   8  -9.657   7.969  -4.015
   52   2HG1  ILE   8          1HG1      ILE   8 -10.618   8.878  -2.856
   53   1HG2  ILE   8          1HG2      ILE   8 -11.394   7.492  -0.652
   54   2HG2  ILE   8          2HG2      ILE   8  -9.720   6.952  -0.529
   55   3HG2  ILE   8          3HG2      ILE   8 -11.020   5.767  -0.650
   56   1HD1  ILE   8          1HD1      ILE   8  -7.794   7.997  -2.707
   57   2HD1  ILE   8          2HD1      ILE   8  -8.706   8.104  -1.205
   58   3HD1  ILE   8          3HD1      ILE   8  -8.534   9.523  -2.234
   59    H    ILE   9           H        ILE   9  -7.483   5.973  -4.048
   60    HA   ILE   9           HA       ILE   9  -6.123   5.634  -1.483
   61    HB   ILE   9           HB       ILE   9  -4.313   4.510  -2.488
   62   1HG1  ILE   9          2HG1      ILE   9  -5.587   4.988  -5.194
   63   2HG1  ILE   9          1HG1      ILE   9  -4.231   5.917  -4.562
   64   1HG2  ILE   9          1HG2      ILE   9  -5.341   2.516  -3.247
   65   2HG2  ILE   9          2HG2      ILE   9  -6.738   3.391  -3.869
   66   3HG2  ILE   9          3HG2      ILE   9  -6.486   3.261  -2.132
   67   1HD1  ILE   9          1HD1      ILE   9  -2.910   3.843  -4.447
   68   2HD1  ILE   9          2HD1      ILE   9  -3.430   4.246  -6.083
   69   3HD1  ILE   9          3HD1      ILE   9  -4.258   2.979  -5.181
   70    H    GLY  10           H        GLY  10  -4.817   7.085  -0.783
   71   1HA   GLY  10          2HA       GLY  10  -3.422   8.940  -2.550
   72   2HA   GLY  10          1HA       GLY  10  -4.544   9.650  -1.387
   73    H    SER  11           H        SER  11  -1.416   8.319  -1.837
   74    HA   SER  11           HA       SER  11  -0.794   8.804   0.958
   75   1HB   SER  11          2HB       SER  11  -0.050   6.282  -0.412
   76   2HB   SER  11          1HB       SER  11   0.168   6.679   1.286
   77    HG   SER  11           HG       SER  11  -2.279   6.253  -0.084
   78    H    ARG  12           H        ARG  12   1.524   8.267   1.394
   79    HA   ARG  12           HA       ARG  12   3.438   8.700  -0.638
   80   1HB   ARG  12          2HB       ARG  12   4.257  10.922   0.283
   81   2HB   ARG  12          1HB       ARG  12   2.784  10.983  -0.675
   82   1HG   ARG  12          2HG       ARG  12   1.453  11.428   1.153
   83   2HG   ARG  12          1HG       ARG  12   2.608  10.741   2.295
   84   1HD   ARG  12          2HD       ARG  12   2.588  13.137   2.531
   85   2HD   ARG  12          1HD       ARG  12   4.129  12.632   1.839
   86    HE   ARG  12           HE       ARG  12   2.361  13.283  -0.243
   87   1HH1  ARG  12          1HH1      ARG  12   4.149  14.794   2.336
   88   2HH1  ARG  12          2HH1      ARG  12   4.299  16.314   1.518
   89   1HH2  ARG  12          1HH2      ARG  12   2.552  15.284  -1.331
   90   2HH2  ARG  12          2HH2      ARG  12   3.392  16.593  -0.566
   91    H    THR  13           H        THR  13   4.680   7.063   0.292
   92    HA   THR  13           HA       THR  13   5.197   7.156   3.100
   93    HB   THR  13           HB       THR  13   6.820   5.284   1.599
   94    HG1  THR  13           1HG      THR  13   5.134   4.068   0.829
   95   1HG2  THR  13          1HG2      THR  13   5.111   5.296   4.026
   96   2HG2  THR  13          2HG2      THR  13   6.803   4.835   3.841
   97   3HG2  THR  13          3HG2      THR  13   5.527   3.755   3.277
   98    H    ALA  14           H        ALA  14   7.554   6.613   0.518
   99    HA   ALA  14           HA       ALA  14   9.143   8.864   1.508
  100   1HB   ALA  14          1HB       ALA  14   9.794   7.104   3.031
  101   2HB   ALA  14          2HB       ALA  14  11.132   7.505   1.954
  102   3HB   ALA  14          3HB       ALA  14  10.183   6.046   1.675
  103    H    GLY  15           H        GLY  15   9.659   5.916  -0.417
  104   1HA   GLY  15          2HA       GLY  15   9.687   6.289  -2.902
  105   2HA   GLY  15          1HA       GLY  15  10.734   7.663  -2.558
  106    H    GLU  16           H        GLU  16  12.331   6.571  -0.584
  107    HA   GLU  16           HA       GLU  16  14.287   5.219  -2.058
  108   1HB   GLU  16          2HB       GLU  16  15.511   5.096  -0.047
  109   2HB   GLU  16          1HB       GLU  16  14.514   6.533   0.145
  110   1HG   GLU  16          2HG       GLU  16  14.356   5.480   2.198
  111   2HG   GLU  16          1HG       GLU  16  12.874   4.999   1.373
  112    H    GLY  17           H        GLY  17  11.531   4.167  -0.249
  113   1HA   GLY  17          2HA       GLY  17  11.949   1.433  -1.209
  114   2HA   GLY  17          1HA       GLY  17  11.632   1.693   0.503
  115    H    ALA  18           H        ALA  18   9.658   3.207   0.871
  116    HA   ALA  18           HA       ALA  18   7.514   2.224  -0.827
  117   1HB   ALA  18          1HB       ALA  18   7.069   3.255   1.933
  118   2HB   ALA  18          2HB       ALA  18   7.568   1.591   1.646
  119   3HB   ALA  18          3HB       ALA  18   6.032   2.170   0.992
  120    H    MET  19           H        MET  19   5.699   3.663  -1.353
  121    HA   MET  19           HA       MET  19   6.031   6.456  -0.651
  122   1HB   MET  19          2HB       MET  19   7.277   5.556  -2.977
  123   2HB   MET  19          1HB       MET  19   5.821   6.364  -3.542
  124   1HG   MET  19          2HG       MET  19   6.590   8.223  -1.863
  125   2HG   MET  19          1HG       MET  19   8.158   7.463  -2.091
  126   1HE   MET  19          1HE       MET  19   7.845   6.407  -5.065
  127   2HE   MET  19          2HE       MET  19   9.329   7.221  -4.572
  128   3HE   MET  19          3HE       MET  19   8.492   7.726  -6.039
  129    H    GLU  20           H        GLU  20   3.856   4.412  -0.511
  130    HA   GLU  20           HA       GLU  20   1.685   6.056  -1.230
  131   1HB   GLU  20          2HB       GLU  20   2.025   3.476  -2.713
  132   2HB   GLU  20          1HB       GLU  20   0.511   4.341  -2.635
  133   1HG   GLU  20          2HG       GLU  20   1.990   6.303  -3.547
  134   2HG   GLU  20          1HG       GLU  20   3.037   4.976  -4.064
  135    H    TYR  21           H        TYR  21  -0.508   4.584  -0.543
  136    HA   TYR  21           HA       TYR  21   0.223   2.706   1.394
  137   1HB   TYR  21          2HB       TYR  21   0.249   3.752   3.316
  138   2HB   TYR  21          1HB       TYR  21   0.425   5.201   2.371
  139    HD1  TYR  21           1HD      TYR  21  -0.920   6.949   2.971
  140    HD2  TYR  21           2HD      TYR  21  -2.320   2.975   3.695
  141    HE1  TYR  21           1HE      TYR  21  -2.888   7.862   4.113
  142    HE2  TYR  21           2HE      TYR  21  -4.293   3.897   4.848
  143    HH   TYR  21           HH       TYR  21  -5.177   7.169   4.687
  144    H    LEU  22           H        LEU  22  -2.346   4.281  -0.203
  145    HA   LEU  22           HA       LEU  22  -4.238   2.688   1.312
  146   1HB   LEU  22          2HB       LEU  22  -4.474   4.948  -0.607
  147   2HB   LEU  22          1HB       LEU  22  -5.836   3.869  -0.457
  148    HG   LEU  22           HG       LEU  22  -6.321   5.633   0.979
  149   1HD1  LEU  22          1HD1      LEU  22  -5.039   3.599   2.790
  150   2HD1  LEU  22          2HD1      LEU  22  -6.598   3.386   1.998
  151   3HD1  LEU  22          3HD1      LEU  22  -6.374   4.684   3.170
  152   1HD2  LEU  22          1HD2      LEU  22  -4.033   6.588   0.906
  153   2HD2  LEU  22          2HD2      LEU  22  -3.564   5.434   2.150
  154   3HD2  LEU  22          3HD2      LEU  22  -4.788   6.653   2.498
  155    H    ILE  23           H        ILE  23  -5.351   1.181   0.799
  156    HA   ILE  23           HA       ILE  23  -5.142  -0.957  -0.358
  157    HB   ILE  23           HB       ILE  23  -7.507  -1.049  -1.197
  158   1HG1  ILE  23          2HG1      ILE  23  -7.471   1.487  -1.725
  159   2HG1  ILE  23          1HG1      ILE  23  -8.921   0.801  -1.007
  160   1HG2  ILE  23          1HG2      ILE  23  -8.115  -0.101   1.340
  161   2HG2  ILE  23          2HG2      ILE  23  -6.437  -0.644   1.440
  162   3HG2  ILE  23          3HG2      ILE  23  -7.691  -1.748   0.878
  163   1HD1  ILE  23          1HD1      ILE  23  -8.787   2.165   0.728
  164   2HD1  ILE  23          2HD1      ILE  23  -7.490   3.003  -0.117
  165   3HD1  ILE  23          3HD1      ILE  23  -7.110   1.722   1.032
  166    H    GLU  24           H        GLU  24  -7.262  -0.169  -2.857
  167    HA   GLU  24           HA       GLU  24  -7.079  -0.609  -5.078
  168   1HB   GLU  24          2HB       GLU  24  -6.263   1.762  -4.854
  169   2HB   GLU  24          1HB       GLU  24  -4.622   1.130  -4.872
  170   1HG   GLU  24          2HG       GLU  24  -4.910   0.298  -7.103
  171   2HG   GLU  24          1HG       GLU  24  -6.623   0.714  -7.082
  172    H    TRP  25           H        TRP  25  -5.612  -2.402  -3.192
  173    HA   TRP  25           HA       TRP  25  -3.878  -3.579  -5.209
  174   1HB   TRP  25          2HB       TRP  25  -2.270  -4.192  -3.296
  175   2HB   TRP  25          1HB       TRP  25  -2.192  -2.594  -4.005
  176    HD1  TRP  25           HD       TRP  25  -4.436  -3.846  -1.002
  177    HE1  TRP  25           1HE      TRP  25  -3.902  -2.278   0.999
  178    HE3  TRP  25           3HE      TRP  25  -0.857  -0.849  -3.115
  179    HZ2  TRP  25           2HZ      TRP  25  -2.219  -0.168   1.601
  180    HZ3  TRP  25           3HZ      TRP  25   0.173   0.910  -1.725
  181    HH2  TRP  25           HH       TRP  25  -0.463   1.212   0.556
  182    H    LYS  26           H        LYS  26  -6.525  -4.266  -4.248
  183    HA   LYS  26           HA       LYS  26  -7.748  -6.048  -3.473
  184   1HB   LYS  26          2HB       LYS  26  -6.767  -6.667  -5.737
  185   2HB   LYS  26          1HB       LYS  26  -5.596  -7.640  -4.858
  186   1HG   LYS  26          2HG       LYS  26  -7.272  -9.132  -5.519
  187   2HG   LYS  26          1HG       LYS  26  -7.584  -8.822  -3.812
  188   1HD   LYS  26          2HD       LYS  26  -9.327  -7.236  -4.389
  189   2HD   LYS  26          1HD       LYS  26  -8.976  -7.447  -6.106
  190   1HE   LYS  26          2HE       LYS  26  -9.572  -9.840  -5.889
  191   2HE   LYS  26          1HE       LYS  26 -10.021  -9.546  -4.210
  192   1HZ   LYS  26          1HZ       LYS  26 -11.275  -8.284  -6.588
  193   2HZ   LYS  26          2HZ       LYS  26 -11.700  -7.978  -4.981
  194   3HZ   LYS  26          3HZ       LYS  26 -11.954  -9.512  -5.644
  195    H    ASP  27           H        ASP  27  -5.683  -5.210  -1.573
  196    HA   ASP  27           HA       ASP  27  -4.535  -5.934   0.267
  197   1HB   ASP  27          2HB       ASP  27  -5.859  -7.314   1.719
  198   2HB   ASP  27          1HB       ASP  27  -6.940  -6.260   0.814
  199    H    GLY  28           H        GLY  28  -3.528  -7.158  -2.156
  200   1HA   GLY  28          2HA       GLY  28  -3.183  -9.881  -2.157
  201   2HA   GLY  28          1HA       GLY  28  -1.917  -8.758  -2.629
  202    H    HIS  29           H        HIS  29  -1.120  -7.578  -0.410
  203    HA   HIS  29           HA       HIS  29  -0.555  -9.663   1.548
  204   1HB   HIS  29          2HB       HIS  29   1.353  -9.156  -0.154
  205   2HB   HIS  29          1HB       HIS  29   1.541  -7.643   0.740
  206    HD1  HIS  29           1HD      HIS  29   2.143 -11.312   0.976
  207    HD2  HIS  29           2HD      HIS  29   2.569  -7.930   3.353
  208    HE1  HIS  29           1HE      HIS  29   3.578 -12.028   2.913
  209    HE2  HIS  29           2HE      HIS  29   3.767  -9.984   4.373
  210    H    SER  30           H        SER  30  -1.965  -8.798   3.004
  211    HA   SER  30           HA       SER  30  -2.863  -7.350   4.541
  212   1HB   SER  30          2HB       SER  30  -0.733  -8.238   5.502
  213   2HB   SER  30          1HB       SER  30   0.062  -6.748   4.953
  214    HG   SER  30           HG       SER  30  -0.570  -6.019   6.826
  215    HA   PRO  31           HA       PRO  31  -3.350  -3.158   2.526
  216   1HB   PRO  31          2HB       PRO  31  -4.308  -2.570   5.242
  217   2HB   PRO  31          1HB       PRO  31  -5.163  -2.422   3.707
  218   1HG   PRO  31          2HG       PRO  31  -5.293  -4.564   5.654
  219   2HG   PRO  31          1HG       PRO  31  -6.272  -4.331   4.201
  220   1HD   PRO  31          2HD       PRO  31  -4.478  -6.368   4.495
  221   2HD   PRO  31          1HD       PRO  31  -4.908  -5.674   2.913
  222    H    SER  32           H        SER  32  -1.636  -1.768   2.493
  223    HA   SER  32           HA       SER  32  -0.106  -1.494   4.980
  224   1HB   SER  32          2HB       SER  32   0.978  -2.624   2.426
  225   2HB   SER  32          1HB       SER  32   2.020  -1.940   3.675
  226    HG   SER  32           HG       SER  32   0.111  -3.903   4.330
  227    H    TRP  33           H        TRP  33   1.826  -0.033   4.675
  228    HA   TRP  33           HA       TRP  33   1.031   2.160   2.939
  229   1HB   TRP  33          2HB       TRP  33   1.596   2.469   5.448
  230   2HB   TRP  33          1HB       TRP  33   3.281   2.257   4.966
  231    HD1  TRP  33           HD       TRP  33   3.509   3.920   2.450
  232    HE1  TRP  33           1HE      TRP  33   3.191   6.473   2.431
  233    HE3  TRP  33           3HE      TRP  33   0.762   4.410   6.719
  234    HZ2  TRP  33           2HZ      TRP  33   1.927   8.432   4.012
  235    HZ3  TRP  33           3HZ      TRP  33   0.024   6.661   7.393
  236    HH2  TRP  33           HH       TRP  33   0.596   8.628   6.061
  237    H    VAL  34           H        VAL  34   1.734   1.767   1.010
  238    HA   VAL  34           HA       VAL  34   4.497   1.040   0.419
  239    HB   VAL  34           HB       VAL  34   3.743  -1.205   0.567
  240   1HG1  VAL  34          1HG1      VAL  34   1.237  -1.518  -0.357
  241   2HG1  VAL  34          2HG1      VAL  34   1.181   0.105   0.263
  242   3HG1  VAL  34          3HG1      VAL  34   1.650  -1.203   1.319
  243   1HG2  VAL  34          1HG2      VAL  34   3.816  -2.027  -1.522
  244   2HG2  VAL  34          2HG2      VAL  34   3.913  -0.375  -2.068
  245   3HG2  VAL  34          3HG2      VAL  34   2.369  -1.155  -1.979
  246    HA   PRO  35           HA       PRO  35   4.083   3.602  -3.191
  247   1HB   PRO  35          2HB       PRO  35   5.396   1.401  -4.656
  248   2HB   PRO  35          1HB       PRO  35   5.870   3.092  -4.504
  249   1HG   PRO  35          2HG       PRO  35   7.131   1.117  -3.201
  250   2HG   PRO  35          1HG       PRO  35   6.929   2.740  -2.511
  251   1HD   PRO  35          2HD       PRO  35   5.568   0.201  -1.855
  252   2HD   PRO  35          1HD       PRO  35   5.907   1.572  -0.814
  253    H    SER  36           H        SER  36   2.647   0.435  -3.283
  254    HA   SER  36           HA       SER  36   0.648   1.127  -5.066
  255   1HB   SER  36          2HB       SER  36   2.245   1.375  -6.826
  256   2HB   SER  36          1HB       SER  36   3.004  -0.170  -6.440
  257    HG   SER  36           HG       SER  36   0.405   0.255  -7.496
  258    H    SER  37           H        SER  37   2.646  -1.482  -3.813
  259    HA   SER  37           HA       SER  37   0.282  -3.228  -3.986
  260   1HB   SER  37          2HB       SER  37   3.189  -4.052  -3.794
  261   2HB   SER  37          1HB       SER  37   1.816  -5.152  -3.842
  262    HG   SER  37           HG       SER  37   2.994  -3.694  -5.870
  263    H    TYR  38           H        TYR  38   3.075  -3.845  -1.935
  264    HA   TYR  38           HA       TYR  38   2.267  -2.898   0.552
  265   1HB   TYR  38          2HB       TYR  38   1.927  -5.625   1.064
  266   2HB   TYR  38          1HB       TYR  38   0.773  -4.340   1.338
  267    HD1  TYR  38           1HD      TYR  38  -1.233  -4.635   0.482
  268    HD2  TYR  38           2HD      TYR  38   2.095  -6.280  -1.554
  269    HE1  TYR  38           1HE      TYR  38  -2.766  -5.611  -1.216
  270    HE2  TYR  38           2HE      TYR  38   0.615  -7.281  -3.249
  271    HH   TYR  38           HH       TYR  38  -1.766  -7.973  -3.432
  272    H    ILE  39           H        ILE  39   4.094  -2.797   1.619
  273    HA   ILE  39           HA       ILE  39   6.110  -4.858   1.087
  274    HB   ILE  39           HB       ILE  39   7.695  -3.400   0.259
  275   1HG1  ILE  39          2HG1      ILE  39   6.367  -1.164   1.814
  276   2HG1  ILE  39          1HG1      ILE  39   7.930  -1.897   2.147
  277   1HG2  ILE  39          1HG2      ILE  39   5.327  -1.713  -0.386
  278   2HG2  ILE  39          2HG2      ILE  39   5.541  -3.318  -1.088
  279   3HG2  ILE  39          3HG2      ILE  39   6.736  -2.037  -1.385
  280   1HD1  ILE  39          1HD1      ILE  39   7.174   0.064   0.055
  281   2HD1  ILE  39          2HD1      ILE  39   8.498  -1.058  -0.259
  282   3HD1  ILE  39          3HD1      ILE  39   8.574   0.031   1.127
  283    H    ALA  40           H        ALA  40   4.316  -4.303   3.292
  284    HA   ALA  40           HA       ALA  40   5.560  -2.959   5.408
  285   1HB   ALA  40          1HB       ALA  40   3.934  -3.994   6.801
  286   2HB   ALA  40          2HB       ALA  40   3.687  -5.296   5.633
  287   3HB   ALA  40          3HB       ALA  40   3.175  -3.653   5.244
  288    H    ALA  41           H        ALA  41   7.694  -3.475   5.566
  289    HA   ALA  41           HA       ALA  41   8.622  -5.227   7.383
  290   1HB   ALA  41          1HB       ALA  41   7.905  -7.183   6.285
  291   2HB   ALA  41          2HB       ALA  41   9.628  -7.076   5.927
  292   3HB   ALA  41          3HB       ALA  41   8.445  -6.598   4.711
  293    H    ASP  42           H        ASP  42   9.503  -4.702   3.985
  294    HA   ASP  42           HA       ASP  42  11.274  -2.671   4.126
  295   1HB   ASP  42          2HB       ASP  42  12.637  -3.756   5.788
  296   2HB   ASP  42          1HB       ASP  42  12.677  -5.253   4.863
  297    H    VAL  43           H        VAL  43  10.199  -2.692   2.033
  298    HA   VAL  43           HA       VAL  43  11.850  -4.038   0.042
  299    HB   VAL  43           HB       VAL  43   9.065  -4.265  -0.768
  300   1HG1  VAL  43          1HG1      VAL  43  11.280  -6.292  -0.546
  301   2HG1  VAL  43          2HG1      VAL  43  10.975  -5.248  -1.935
  302   3HG1  VAL  43          3HG1      VAL  43   9.790  -6.468  -1.472
  303   1HG2  VAL  43          1HG2      VAL  43   8.503  -6.218   0.626
  304   2HG2  VAL  43          2HG2      VAL  43   8.630  -4.739   1.576
  305   3HG2  VAL  43          3HG2      VAL  43   9.940  -5.919   1.603
  306    H    VAL  44           H        VAL  44  10.232  -3.435  -2.203
  307    HA   VAL  44           HA       VAL  44   9.802  -0.563  -1.969
  308    HB   VAL  44           HB       VAL  44  11.145  -0.004  -3.880
  309   1HG1  VAL  44          1HG1      VAL  44  13.142   0.030  -2.786
  310   2HG1  VAL  44          2HG1      VAL  44  13.051  -1.671  -2.335
  311   3HG1  VAL  44          3HG1      VAL  44  12.105  -0.476  -1.451
  312   1HG2  VAL  44          1HG2      VAL  44  11.096  -1.816  -5.333
  313   2HG2  VAL  44          2HG2      VAL  44  11.540  -2.966  -4.072
  314   3HG2  VAL  44          3HG2      VAL  44  12.748  -1.857  -4.720
  315    H    SER  45           H        SER  45   7.708  -0.538  -2.413
  316    HA   SER  45           HA       SER  45   5.810  -0.440  -3.659
  317   1HB   SER  45          2HB       SER  45   7.189   0.622  -5.358
  318   2HB   SER  45          1HB       SER  45   7.709  -0.953  -5.956
  319    HG   SER  45           HG       SER  45   6.006  -0.907  -7.165
  320    H    GLU  46           H        GLU  46   7.168  -3.142  -2.825
  321    HA   GLU  46           HA       GLU  46   4.996  -4.772  -3.527
  322   1HB   GLU  46          2HB       GLU  46   6.778  -4.399  -5.608
  323   2HB   GLU  46          1HB       GLU  46   7.229  -5.974  -4.953
  324   1HG   GLU  46          2HG       GLU  46   4.927  -6.749  -5.208
  325   2HG   GLU  46          1HG       GLU  46   4.466  -5.173  -5.850
  326    H    TYR  47           H        TYR  47   4.906  -6.472  -2.186
  327    HA   TYR  47           HA       TYR  47   6.817  -6.820  -0.147
  328   1HB   TYR  47          2HB       TYR  47   4.454  -7.384   0.158
  329   2HB   TYR  47          1HB       TYR  47   4.596  -8.677  -1.026
  330    HD1  TYR  47           1HD      TYR  47   5.823  -7.554   2.296
  331    HD2  TYR  47           2HD      TYR  47   5.278 -10.826  -0.368
  332    HE1  TYR  47           1HE      TYR  47   6.441  -9.113   4.094
  333    HE2  TYR  47           2HE      TYR  47   5.895 -12.394   1.422
  334    HH   TYR  47           HH       TYR  47   7.178 -12.369   3.531
  Start of MODEL    7
    1   1H    GLY   1          1HT       GLY   1  -5.961   3.409   8.199
    2   2H    GLY   1          2HT       GLY   1  -6.440   4.150   9.641
    3   3H    GLY   1          3HT       GLY   1  -7.328   4.406   8.224
    4   1HA   GLY   1          1HA       GLY   1  -7.053   1.825   9.666
    5   2HA   GLY   1          2HA       GLY   1  -8.474   2.857   9.681
    6    H    SER   2           H        SER   2  -9.285   0.618   8.965
    7    HA   SER   2           HA       SER   2 -10.130  -0.752   7.352
    8   1HB   SER   2          2HB       SER   2 -11.007   0.393   5.350
    9   2HB   SER   2          1HB       SER   2 -11.371   1.293   6.823
   10    HG   SER   2           HG       SER   2 -10.424   2.422   4.860
   11    H    GLY   3           H        GLY   3  -9.885  -1.085   4.714
   12   1HA   GLY   3          2HA       GLY   3  -7.769  -0.785   3.182
   13   2HA   GLY   3          1HA       GLY   3  -7.057  -1.787   4.439
   14    H    GLU   4           H        GLU   4  -7.230  -2.514   1.704
   15    HA   GLU   4           HA       GLU   4  -7.689  -4.344   0.450
   16   1HB   GLU   4          2HB       GLU   4  -7.150  -5.870   2.060
   17   2HB   GLU   4          1HB       GLU   4  -8.335  -5.253   3.203
   18   1HG   GLU   4          2HG       GLU   4 -10.114  -6.411   2.095
   19   2HG   GLU   4          1HG       GLU   4  -9.045  -6.909   0.789
   20    H    VAL   5           H        VAL   5  -9.911  -2.221   1.366
   21    HA   VAL   5           HA       VAL   5 -12.319  -3.625   0.594
   22    HB   VAL   5           HB       VAL   5 -11.887  -0.665   1.030
   23   1HG1  VAL   5          1HG1      VAL   5 -14.402  -2.316   0.840
   24   2HG1  VAL   5          2HG1      VAL   5 -13.854  -1.085  -0.298
   25   3HG1  VAL   5          3HG1      VAL   5 -14.343  -0.624   1.334
   26   1HG2  VAL   5          1HG2      VAL   5 -12.935  -1.080   3.239
   27   2HG2  VAL   5          2HG2      VAL   5 -11.369  -1.869   3.054
   28   3HG2  VAL   5          3HG2      VAL   5 -12.853  -2.812   2.917
   29    H    ASN   6           H        ASN   6 -10.210  -1.147  -0.711
   30    HA   ASN   6           HA       ASN   6  -9.583  -0.696  -2.846
   31   1HB   ASN   6          2HB       ASN   6  -9.967  -2.986  -3.514
   32   2HB   ASN   6          1HB       ASN   6 -11.692  -2.665  -3.725
   33   1HD2  ASN   6          1HD2      ASN   6  -8.502  -2.171  -4.991
   34   2HD2  ASN   6          2HD2      ASN   6  -8.987  -1.582  -6.542
   35    H    LYS   7           H        LYS   7 -10.343   1.228  -2.030
   36    HA   LYS   7           HA       LYS   7 -12.353   2.453  -3.716
   37   1HB   LYS   7          2HB       LYS   7 -13.586   3.381  -1.815
   38   2HB   LYS   7          1HB       LYS   7 -13.590   1.625  -1.723
   39   1HG   LYS   7          2HG       LYS   7 -11.478   1.992  -0.208
   40   2HG   LYS   7          1HG       LYS   7 -12.170   3.607  -0.013
   41   1HD   LYS   7          2HD       LYS   7 -14.242   2.672   0.809
   42   2HD   LYS   7          1HD       LYS   7 -13.658   1.034   0.504
   43   1HE   LYS   7          2HE       LYS   7 -11.888   1.349   2.152
   44   2HE   LYS   7          1HE       LYS   7 -12.437   3.000   2.440
   45   1HZ   LYS   7          1HZ       LYS   7 -14.052   0.555   2.935
   46   2HZ   LYS   7          2HZ       LYS   7 -14.521   2.145   3.270
   47   3HZ   LYS   7          3HZ       LYS   7 -13.242   1.444   4.125
   48    H    ILE   8           H        ILE   8 -12.232   4.738  -1.618
   49    HA   ILE   8           HA       ILE   8 -10.445   6.485  -2.582
   50    HB   ILE   8           HB       ILE   8 -12.031   6.827  -0.680
   51   1HG1  ILE   8          2HG1      ILE   8 -10.237   8.501  -1.247
   52   2HG1  ILE   8          1HG1      ILE   8 -10.793   8.558   0.420
   53   1HG2  ILE   8          1HG2      ILE   8 -10.089   6.136   1.384
   54   2HG2  ILE   8          2HG2      ILE   8 -10.663   4.742   0.466
   55   3HG2  ILE   8          3HG2      ILE   8 -11.818   5.795   1.291
   56   1HD1  ILE   8          1HD1      ILE   8  -8.150   8.040  -0.641
   57   2HD1  ILE   8          2HD1      ILE   8  -8.660   6.828   0.534
   58   3HD1  ILE   8          3HD1      ILE   8  -8.649   8.535   0.976
   59    H    ILE   9           H        ILE   9  -8.171   6.907  -2.400
   60    HA   ILE   9           HA       ILE   9  -6.691   5.209  -0.607
   61    HB   ILE   9           HB       ILE   9  -4.972   4.810  -2.496
   62   1HG1  ILE   9          2HG1      ILE   9  -6.407   6.238  -4.090
   63   2HG1  ILE   9          1HG1      ILE   9  -5.727   4.738  -4.705
   64   1HG2  ILE   9          1HG2      ILE   9  -5.777   2.650  -2.819
   65   2HG2  ILE   9          2HG2      ILE   9  -7.458   3.147  -2.606
   66   3HG2  ILE   9          3HG2      ILE   9  -6.360   3.135  -1.227
   67   1HD1  ILE   9          1HD1      ILE   9  -7.961   4.909  -5.482
   68   2HD1  ILE   9          2HD1      ILE   9  -8.565   5.247  -3.863
   69   3HD1  ILE   9          3HD1      ILE   9  -7.923   3.652  -4.246
   70    H    GLY  10           H        GLY  10  -5.199   6.239   0.427
   71   1HA   GLY  10          2HA       GLY  10  -4.035   8.698  -0.680
   72   2HA   GLY  10          1HA       GLY  10  -4.013   8.218   1.022
   73    H    SER  11           H        SER  11  -1.671   8.861  -0.732
   74    HA   SER  11           HA       SER  11  -0.196   6.463  -0.218
   75   1HB   SER  11          2HB       SER  11  -0.579   5.521  -2.225
   76   2HB   SER  11          1HB       SER  11  -1.285   7.000  -2.856
   77    HG   SER  11           HG       SER  11   0.548   6.559  -4.037
   78    H    ARG  12           H        ARG  12   1.374   7.432   0.902
   79    HA   ARG  12           HA       ARG  12   3.331   8.968  -0.549
   80   1HB   ARG  12          2HB       ARG  12   3.365  10.848   1.076
   81   2HB   ARG  12          1HB       ARG  12   1.890  10.792   0.122
   82   1HG   ARG  12          2HG       ARG  12   0.867   9.538   2.095
   83   2HG   ARG  12          1HG       ARG  12   2.281  10.076   3.004
   84   1HD   ARG  12          2HD       ARG  12   1.741  12.392   2.526
   85   2HD   ARG  12          1HD       ARG  12   0.369  11.890   1.539
   86    HE   ARG  12           HE       ARG  12   0.040  10.798   4.085
   87   1HH1  ARG  12          1HH1      ARG  12   0.109  13.922   2.548
   88   2HH1  ARG  12          2HH1      ARG  12  -0.958  14.656   3.699
   89   1HH2  ARG  12          1HH2      ARG  12  -1.364  11.754   5.608
   90   2HH2  ARG  12          2HH2      ARG  12  -1.794  13.423   5.439
   91    H    THR  13           H        THR  13   4.995   7.534  -0.031
   92    HA   THR  13           HA       THR  13   5.275   6.979   2.838
   93    HB   THR  13           HB       THR  13   6.608   5.198   0.886
   94    HG1  THR  13           1HG      THR  13   4.761   3.932   0.792
   95   1HG2  THR  13          1HG2      THR  13   7.137   4.995   3.255
   96   2HG2  THR  13          2HG2      THR  13   6.292   3.564   2.664
   97   3HG2  THR  13          3HG2      THR  13   5.424   4.771   3.613
   98    H    ALA  14           H        ALA  14   7.712   6.521   0.292
   99    HA   ALA  14           HA       ALA  14   9.357   8.564   1.579
  100   1HB   ALA  14          1HB       ALA  14  10.300   5.712   1.340
  101   2HB   ALA  14          2HB       ALA  14   9.840   6.523   2.837
  102   3HB   ALA  14          3HB       ALA  14  11.247   7.079   1.929
  103    H    GLY  15           H        GLY  15   9.513   5.934  -0.850
  104   1HA   GLY  15          2HA       GLY  15   9.639   6.671  -3.207
  105   2HA   GLY  15          1HA       GLY  15  10.723   7.944  -2.667
  106    H    GLU  16           H        GLU  16  12.309   6.317  -0.913
  107    HA   GLU  16           HA       GLU  16  14.244   5.384  -2.704
  108   1HB   GLU  16          2HB       GLU  16  14.873   5.958  -0.451
  109   2HB   GLU  16          1HB       GLU  16  13.784   4.749   0.216
  110   1HG   GLU  16          2HG       GLU  16  15.153   2.976  -0.743
  111   2HG   GLU  16          1HG       GLU  16  16.240   4.183  -1.430
  112    H    GLY  17           H        GLY  17  11.460   3.887  -1.304
  113   1HA   GLY  17          2HA       GLY  17  11.804   1.585  -3.056
  114   2HA   GLY  17          1HA       GLY  17  11.683   1.258  -1.331
  115    H    ALA  18           H        ALA  18   9.803   2.861  -0.390
  116    HA   ALA  18           HA       ALA  18   7.435   2.244  -1.995
  117   1HB   ALA  18          1HB       ALA  18   7.412   0.888  -0.013
  118   2HB   ALA  18          2HB       ALA  18   6.239   2.189   0.233
  119   3HB   ALA  18          3HB       ALA  18   7.830   2.284   0.989
  120    H    MET  19           H        MET  19   5.816   3.858  -2.184
  121    HA   MET  19           HA       MET  19   6.122   6.314  -0.712
  122   1HB   MET  19          2HB       MET  19   7.371   6.089  -3.184
  123   2HB   MET  19          1HB       MET  19   5.877   6.949  -3.539
  124   1HG   MET  19          2HG       MET  19   6.406   8.623  -1.894
  125   2HG   MET  19          1HG       MET  19   7.847   7.729  -1.426
  126   1HE   MET  19          1HE       MET  19   7.296   9.795  -5.515
  127   2HE   MET  19          2HE       MET  19   6.094   9.821  -4.223
  128   3HE   MET  19          3HE       MET  19   6.447   8.314  -5.070
  129    H    GLU  20           H        GLU  20   4.073   4.261  -0.949
  130    HA   GLU  20           HA       GLU  20   1.842   6.002  -1.527
  131   1HB   GLU  20          2HB       GLU  20   1.834   3.276  -2.726
  132   2HB   GLU  20          1HB       GLU  20   0.798   4.621  -3.126
  133   1HG   GLU  20          2HG       GLU  20   2.889   5.783  -3.991
  134   2HG   GLU  20          1HG       GLU  20   3.699   4.204  -3.852
  135    H    TYR  21           H        TYR  21  -0.335   4.294  -1.063
  136    HA   TYR  21           HA       TYR  21   0.383   2.902   1.271
  137   1HB   TYR  21          2HB       TYR  21   0.468   4.667   2.492
  138   2HB   TYR  21          1HB       TYR  21  -0.483   5.622   1.409
  139    HD1  TYR  21           1HD      TYR  21  -2.020   6.763   2.885
  140    HD2  TYR  21           2HD      TYR  21  -1.434   2.547   3.213
  141    HE1  TYR  21           1HE      TYR  21  -3.918   6.608   4.441
  142    HE2  TYR  21           2HE      TYR  21  -3.301   2.402   4.782
  143    HH   TYR  21           HH       TYR  21  -5.516   4.936   5.259
  144    H    LEU  22           H        LEU  22  -2.543   4.351   0.142
  145    HA   LEU  22           HA       LEU  22  -3.913   2.231   1.501
  146   1HB   LEU  22          2HB       LEU  22  -4.560   4.705   1.427
  147   2HB   LEU  22          1HB       LEU  22  -5.280   4.307  -0.113
  148    HG   LEU  22           HG       LEU  22  -6.838   2.798   0.910
  149   1HD1  LEU  22          1HD1      LEU  22  -5.447   1.761   2.569
  150   2HD1  LEU  22          2HD1      LEU  22  -6.842   2.473   3.377
  151   3HD1  LEU  22          3HD1      LEU  22  -5.279   3.284   3.441
  152   1HD2  LEU  22          1HD2      LEU  22  -7.879   4.362   2.658
  153   2HD2  LEU  22          2HD2      LEU  22  -7.693   4.970   1.015
  154   3HD2  LEU  22          3HD2      LEU  22  -6.553   5.457   2.268
  155    H    ILE  23           H        ILE  23  -5.608   1.061   0.747
  156    HA   ILE  23           HA       ILE  23  -5.326  -0.934  -0.696
  157    HB   ILE  23           HB       ILE  23  -7.808   0.619  -1.300
  158   1HG1  ILE  23          2HG1      ILE  23  -8.386  -1.189   0.682
  159   2HG1  ILE  23          1HG1      ILE  23  -6.776  -0.654   1.150
  160   1HG2  ILE  23          1HG2      ILE  23  -6.893  -2.212  -1.553
  161   2HG2  ILE  23          2HG2      ILE  23  -7.795  -1.226  -2.698
  162   3HG2  ILE  23          3HG2      ILE  23  -8.588  -1.867  -1.266
  163   1HD1  ILE  23          1HD1      ILE  23  -9.251   0.628   1.569
  164   2HD1  ILE  23          2HD1      ILE  23  -8.308   1.629   0.467
  165   3HD1  ILE  23          3HD1      ILE  23  -7.638   1.168   2.031
  166    H    GLU  24           H        GLU  24  -7.248   0.577  -3.117
  167    HA   GLU  24           HA       GLU  24  -6.868   0.791  -5.357
  168   1HB   GLU  24          2HB       GLU  24  -4.658   1.973  -4.257
  169   2HB   GLU  24          1HB       GLU  24  -3.918   0.671  -5.176
  170   1HG   GLU  24          2HG       GLU  24  -5.003   1.457  -7.200
  171   2HG   GLU  24          1HG       GLU  24  -5.801   2.737  -6.288
  172    H    TRP  25           H        TRP  25  -4.156  -1.075  -4.035
  173    HA   TRP  25           HA       TRP  25  -4.091  -3.120  -5.862
  174   1HB   TRP  25          2HB       TRP  25  -3.098  -4.419  -3.842
  175   2HB   TRP  25          1HB       TRP  25  -2.256  -3.007  -4.446
  176    HD1  TRP  25           HD       TRP  25  -4.834  -3.724  -1.536
  177    HE1  TRP  25           1HE      TRP  25  -4.022  -2.362   0.519
  178    HE3  TRP  25           3HE      TRP  25  -0.856  -1.227  -3.608
  179    HZ2  TRP  25           2HZ      TRP  25  -2.048  -0.618   1.161
  180    HZ3  TRP  25           3HZ      TRP  25   0.419   0.295  -2.134
  181    HH2  TRP  25           HH       TRP  25  -0.168   0.642   0.150
  182    H    LYS  26           H        LYS  26  -4.368  -5.531  -4.723
  183    HA   LYS  26           HA       LYS  26  -7.231  -5.699  -4.061
  184   1HB   LYS  26          2HB       LYS  26  -5.509  -7.627  -5.633
  185   2HB   LYS  26          1HB       LYS  26  -7.158  -7.964  -5.124
  186   1HG   LYS  26          2HG       LYS  26  -7.340  -7.291  -7.351
  187   2HG   LYS  26          1HG       LYS  26  -7.812  -5.871  -6.416
  188   1HD   LYS  26          2HD       LYS  26  -5.619  -4.894  -6.733
  189   2HD   LYS  26          1HD       LYS  26  -5.064  -6.345  -7.568
  190   1HE   LYS  26          2HE       LYS  26  -5.596  -4.633  -9.184
  191   2HE   LYS  26          1HE       LYS  26  -6.761  -5.949  -9.313
  192   1HZ   LYS  26          1HZ       LYS  26  -8.309  -4.625  -7.976
  193   2HZ   LYS  26          2HZ       LYS  26  -7.881  -3.834  -9.409
  194   3HZ   LYS  26          3HZ       LYS  26  -7.195  -3.351  -7.940
  195    H    ASP  27           H        ASP  27  -5.812  -5.288  -1.950
  196    HA   ASP  27           HA       ASP  27  -4.894  -6.076  -0.002
  197   1HB   ASP  27          2HB       ASP  27  -6.272  -7.777   1.067
  198   2HB   ASP  27          1HB       ASP  27  -7.270  -6.609   0.211
  199    H    GLY  28           H        GLY  28  -3.457  -7.003  -2.329
  200   1HA   GLY  28          2HA       GLY  28  -2.852  -9.680  -2.425
  201   2HA   GLY  28          1HA       GLY  28  -1.675  -8.418  -2.723
  202    H    HIS  29           H        HIS  29  -1.096  -7.298  -0.363
  203    HA   HIS  29           HA       HIS  29  -0.568  -9.537   1.448
  204   1HB   HIS  29          2HB       HIS  29   1.464  -9.110   0.059
  205   2HB   HIS  29          1HB       HIS  29   1.525  -7.458   0.682
  206    HD1  HIS  29           1HD      HIS  29   2.571  -7.117   2.947
  207    HD2  HIS  29           2HD      HIS  29   2.027 -11.132   2.022
  208    HE1  HIS  29           1HE      HIS  29   3.789  -8.391   4.739
  209    HE2  HIS  29           2HE      HIS  29   3.453 -10.819   4.157
  210    H    SER  30           H        SER  30  -2.022  -8.877   2.955
  211    HA   SER  30           HA       SER  30  -2.987  -7.575   4.597
  212   1HB   SER  30          2HB       SER  30  -0.839  -8.392   5.552
  213   2HB   SER  30          1HB       SER  30  -0.076  -6.880   5.019
  214    HG   SER  30           HG       SER  30  -1.532  -7.364   7.238
  215    HA   PRO  31           HA       PRO  31  -3.578  -3.448   2.480
  216   1HB   PRO  31          2HB       PRO  31  -4.900  -2.921   5.049
  217   2HB   PRO  31          1HB       PRO  31  -5.576  -2.869   3.420
  218   1HG   PRO  31          2HG       PRO  31  -5.699  -5.013   5.384
  219   2HG   PRO  31          1HG       PRO  31  -6.580  -4.849   3.861
  220   1HD   PRO  31          2HD       PRO  31  -4.686  -6.745   4.253
  221   2HD   PRO  31          1HD       PRO  31  -4.983  -6.016   2.662
  222    H    SER  32           H        SER  32  -1.863  -2.123   2.578
  223    HA   SER  32           HA       SER  32  -0.646  -1.618   5.217
  224   1HB   SER  32          2HB       SER  32   0.541  -3.443   3.921
  225   2HB   SER  32          1HB       SER  32   0.942  -2.209   2.713
  226    HG   SER  32           HG       SER  32   1.629  -2.090   5.473
  227    H    TRP  33           H        TRP  33   1.509  -0.191   4.434
  228    HA   TRP  33           HA       TRP  33   0.455   2.073   2.852
  229   1HB   TRP  33          2HB       TRP  33   0.779   2.540   5.340
  230   2HB   TRP  33          1HB       TRP  33   2.480   2.145   5.141
  231    HD1  TRP  33           HD       TRP  33   3.730   3.788   3.141
  232    HE1  TRP  33           1HE      TRP  33   3.470   6.327   2.869
  233    HE3  TRP  33           3HE      TRP  33  -0.582   4.492   5.826
  234    HZ2  TRP  33           2HZ      TRP  33   1.683   8.362   3.663
  235    HZ3  TRP  33           3HZ      TRP  33  -1.493   6.775   6.005
  236    HH2  TRP  33           HH       TRP  33  -0.381   8.668   4.918
  237    H    VAL  34           H        VAL  34   1.279   1.302   0.973
  238    HA   VAL  34           HA       VAL  34   4.075   1.643   0.549
  239    HB   VAL  34           HB       VAL  34   3.017  -1.010   1.020
  240   1HG1  VAL  34          1HG1      VAL  34   3.789  -2.278  -0.722
  241   2HG1  VAL  34          2HG1      VAL  34   4.576  -0.952  -1.518
  242   3HG1  VAL  34          3HG1      VAL  34   2.818  -1.028  -1.474
  243   1HG2  VAL  34          1HG2      VAL  34   5.184   0.443   1.652
  244   2HG2  VAL  34          2HG2      VAL  34   5.855  -0.613   0.415
  245   3HG2  VAL  34          3HG2      VAL  34   5.072  -1.301   1.836
  246    HA   PRO  35           HA       PRO  35   3.075   2.476  -3.726
  247   1HB   PRO  35          2HB       PRO  35   5.013   1.180  -5.041
  248   2HB   PRO  35          1HB       PRO  35   5.328   2.635  -4.071
  249   1HG   PRO  35          2HG       PRO  35   5.477  -0.251  -3.215
  250   2HG   PRO  35          1HG       PRO  35   6.772   0.973  -3.160
  251   1HD   PRO  35          2HD       PRO  35   5.409   0.578  -0.995
  252   2HD   PRO  35          1HD       PRO  35   5.566   2.237  -1.546
  253    H    SER  36           H        SER  36   1.193   1.595  -4.383
  254    HA   SER  36           HA       SER  36  -0.255   0.064  -5.318
  255   1HB   SER  36          2HB       SER  36   0.819   0.962  -7.272
  256   2HB   SER  36          1HB       SER  36   2.215  -0.098  -7.055
  257    HG   SER  36           HG       SER  36   0.889  -0.987  -8.617
  258    H    SER  37           H        SER  37   1.363  -1.076  -3.171
  259    HA   SER  37           HA       SER  37   0.797  -3.809  -3.679
  260   1HB   SER  37          2HB       SER  37   3.706  -3.326  -3.128
  261   2HB   SER  37          1HB       SER  37   2.925  -4.735  -3.837
  262    HG   SER  37           HG       SER  37   4.086  -2.785  -5.122
  263    H    TYR  38           H        TYR  38   3.153  -4.267  -1.603
  264    HA   TYR  38           HA       TYR  38   2.425  -3.022   0.809
  265   1HB   TYR  38          2HB       TYR  38   1.593  -5.658   1.371
  266   2HB   TYR  38          1HB       TYR  38   0.640  -4.193   1.496
  267    HD1  TYR  38           1HD      TYR  38  -1.395  -4.353   0.518
  268    HD2  TYR  38           2HD      TYR  38   1.889  -6.340  -1.302
  269    HE1  TYR  38           1HE      TYR  38  -2.900  -5.200  -1.250
  270    HE2  TYR  38           2HE      TYR  38   0.397  -7.178  -3.084
  271    HH   TYR  38           HH       TYR  38  -3.038  -6.330  -3.186
  272    H    ILE  39           H        ILE  39   4.468  -2.970   1.274
  273    HA   ILE  39           HA       ILE  39   5.981  -5.458   1.366
  274    HB   ILE  39           HB       ILE  39   7.349  -4.740  -0.239
  275   1HG1  ILE  39          2HG1      ILE  39   8.758  -3.658   1.495
  276   2HG1  ILE  39          1HG1      ILE  39   8.833  -2.844  -0.052
  277   1HG2  ILE  39          1HG2      ILE  39   5.561  -3.721  -1.308
  278   2HG2  ILE  39          2HG2      ILE  39   6.882  -2.541  -1.391
  279   3HG2  ILE  39          3HG2      ILE  39   5.596  -2.351  -0.208
  280   1HD1  ILE  39          1HD1      ILE  39   6.911  -1.843   1.981
  281   2HD1  ILE  39          2HD1      ILE  39   7.756  -0.981   0.704
  282   3HD1  ILE  39          3HD1      ILE  39   8.624  -1.481   2.153
  283    H    ALA  40           H        ALA  40   4.472  -4.202   3.389
  284    HA   ALA  40           HA       ALA  40   6.023  -2.584   5.103
  285   1HB   ALA  40          1HB       ALA  40   3.704  -4.406   5.649
  286   2HB   ALA  40          2HB       ALA  40   3.695  -2.654   5.446
  287   3HB   ALA  40          3HB       ALA  40   4.437  -3.371   6.873
  288    H    ALA  41           H        ALA  41   8.059  -3.351   5.348
  289    HA   ALA  41           HA       ALA  41   8.788  -4.860   7.473
  290   1HB   ALA  41          1HB       ALA  41   8.415  -6.620   5.060
  291   2HB   ALA  41          2HB       ALA  41   7.798  -6.857   6.696
  292   3HB   ALA  41          3HB       ALA  41   9.521  -7.036   6.369
  293    H    ASP  42           H        ASP  42   9.427  -3.994   4.159
  294    HA   ASP  42           HA       ASP  42  12.264  -3.702   4.856
  295   1HB   ASP  42          2HB       ASP  42  12.052  -5.527   3.292
  296   2HB   ASP  42          1HB       ASP  42  11.088  -4.537   2.202
  297    H    VAL  43           H        VAL  43  10.745  -2.674   1.838
  298    HA   VAL  43           HA       VAL  43  10.240  -0.037   2.372
  299    HB   VAL  43           HB       VAL  43  12.594   0.162   3.073
  300   1HG1  VAL  43          1HG1      VAL  43  14.313   0.151   1.202
  301   2HG1  VAL  43          2HG1      VAL  43  13.121  -0.746   0.261
  302   3HG1  VAL  43          3HG1      VAL  43  13.742  -1.417   1.770
  303   1HG2  VAL  43          1HG2      VAL  43  13.130   2.148   1.775
  304   2HG2  VAL  43          2HG2      VAL  43  11.408   2.097   2.155
  305   3HG2  VAL  43          3HG2      VAL  43  11.967   1.668   0.539
  306    H    VAL  44           H        VAL  44  11.514  -2.350   0.044
  307    HA   VAL  44           HA       VAL  44  11.359  -0.888  -2.301
  308    HB   VAL  44           HB       VAL  44  11.249  -3.002  -3.476
  309   1HG1  VAL  44          1HG1      VAL  44  13.160  -4.117  -2.523
  310   2HG1  VAL  44          2HG1      VAL  44  12.891  -3.313  -0.978
  311   3HG1  VAL  44          3HG1      VAL  44  13.358  -2.369  -2.391
  312   1HG2  VAL  44          1HG2      VAL  44   9.634  -4.332  -2.534
  313   2HG2  VAL  44          2HG2      VAL  44  10.157  -3.984  -0.888
  314   3HG2  VAL  44          3HG2      VAL  44  11.089  -5.092  -1.892
  315    H    SER  45           H        SER  45   9.622  -2.104  -4.067
  316    HA   SER  45           HA       SER  45   7.083  -1.021  -3.124
  317   1HB   SER  45          2HB       SER  45   7.857   0.233  -4.983
  318   2HB   SER  45          1HB       SER  45   8.246  -1.226  -5.894
  319    HG   SER  45           HG       SER  45   5.602  -0.824  -5.068
  320    H    GLU  46           H        GLU  46   7.802  -3.754  -2.547
  321    HA   GLU  46           HA       GLU  46   5.399  -5.026  -3.203
  322   1HB   GLU  46          2HB       GLU  46   6.435  -5.101  -5.476
  323   2HB   GLU  46          1HB       GLU  46   7.746  -6.061  -4.807
  324   1HG   GLU  46          2HG       GLU  46   6.126  -7.795  -4.171
  325   2HG   GLU  46          1HG       GLU  46   4.841  -6.840  -4.908
  326    H    TYR  47           H        TYR  47   5.171  -7.041  -2.190
  327    HA   TYR  47           HA       TYR  47   6.895  -7.434   0.034
  328   1HB   TYR  47          2HB       TYR  47   4.405  -7.932  -0.048
  329   2HB   TYR  47          1HB       TYR  47   4.817  -9.384  -0.957
  330    HD1  TYR  47           1HD      TYR  47   6.475  -7.801   1.989
  331    HD2  TYR  47           2HD      TYR  47   4.422 -11.184   0.428
  332    HE1  TYR  47           1HE      TYR  47   6.871  -9.004   4.098
  333    HE2  TYR  47           2HE      TYR  47   4.814 -12.400   2.532
  334    HH   TYR  47           HH       TYR  47   5.913 -10.866   5.362
  Start of MODEL    8
    1   1H    GLY   1          1HT       GLY   1  -6.279  -2.023  11.706
    2   2H    GLY   1          2HT       GLY   1  -5.639  -0.497  12.058
    3   3H    GLY   1          3HT       GLY   1  -5.274  -1.247  10.587
    4   1HA   GLY   1          1HA       GLY   1  -7.956  -0.301  11.439
    5   2HA   GLY   1          2HA       GLY   1  -6.913   0.500  10.274
    6    H    SER   2           H        SER   2  -9.338  -0.026   9.382
    7    HA   SER   2           HA       SER   2  -9.645  -2.618   8.231
    8   1HB   SER   2          2HB       SER   2 -11.543  -1.625   7.021
    9   2HB   SER   2          1HB       SER   2 -11.581  -1.185   8.729
   10    HG   SER   2           HG       SER   2 -11.399   0.408   6.550
   11    H    GLY   3           H        GLY   3 -10.241  -2.479   5.669
   12   1HA   GLY   3          2HA       GLY   3  -9.095  -1.034   3.770
   13   2HA   GLY   3          1HA       GLY   3  -7.682  -1.805   4.455
   14    H    GLU   4           H        GLU   4  -7.329  -2.764   2.328
   15    HA   GLU   4           HA       GLU   4  -7.410  -4.461   0.847
   16   1HB   GLU   4          2HB       GLU   4  -7.169  -6.296   2.028
   17   2HB   GLU   4          1HB       GLU   4  -7.963  -5.544   3.397
   18   1HG   GLU   4          2HG       GLU   4  -9.334  -7.128   1.227
   19   2HG   GLU   4          1HG       GLU   4  -8.951  -7.701   2.844
   20    H    VAL   5           H        VAL   5  -9.975  -2.643   1.378
   21    HA   VAL   5           HA       VAL   5 -12.009  -4.147   0.007
   22    HB   VAL   5           HB       VAL   5 -11.991  -1.186   0.605
   23   1HG1  VAL   5          1HG1      VAL   5 -13.754  -1.811  -0.875
   24   2HG1  VAL   5          2HG1      VAL   5 -14.479  -1.610   0.721
   25   3HG1  VAL   5          3HG1      VAL   5 -14.161  -3.227   0.092
   26   1HG2  VAL   5          1HG2      VAL   5 -11.488  -2.429   2.663
   27   2HG2  VAL   5          2HG2      VAL   5 -12.917  -3.432   2.412
   28   3HG2  VAL   5          3HG2      VAL   5 -13.095  -1.705   2.726
   29    H    ASN   6           H        ASN   6 -10.101  -1.253  -0.551
   30    HA   ASN   6           HA       ASN   6  -9.050  -0.511  -2.477
   31   1HB   ASN   6          2HB       ASN   6  -9.279  -2.696  -3.604
   32   2HB   ASN   6          1HB       ASN   6 -10.949  -2.305  -4.018
   33   1HD2  ASN   6          1HD2      ASN   6  -8.151  -2.648  -5.396
   34   2HD2  ASN   6          2HD2      ASN   6  -8.191  -1.396  -6.588
   35    H    LYS   7           H        LYS   7 -10.220   1.214  -1.357
   36    HA   LYS   7           HA       LYS   7 -12.121   2.508  -3.123
   37   1HB   LYS   7          2HB       LYS   7 -13.746   2.789  -1.333
   38   2HB   LYS   7          1HB       LYS   7 -13.392   1.074  -1.512
   39   1HG   LYS   7          2HG       LYS   7 -11.605   1.492   0.331
   40   2HG   LYS   7          1HG       LYS   7 -12.555   2.947   0.657
   41   1HD   LYS   7          2HD       LYS   7 -14.551   1.620   1.025
   42   2HD   LYS   7          1HD       LYS   7 -13.665   0.150   0.625
   43   1HE   LYS   7          2HE       LYS   7 -13.935   0.493   3.062
   44   2HE   LYS   7          1HE       LYS   7 -12.249   0.414   2.552
   45   1HZ   LYS   7          1HZ       LYS   7 -13.706   2.964   2.961
   46   2HZ   LYS   7          2HZ       LYS   7 -12.042   2.752   2.743
   47   3HZ   LYS   7          3HZ       LYS   7 -12.783   2.217   4.166
   48    H    ILE   8           H        ILE   8 -12.727   4.287  -0.719
   49    HA   ILE   8           HA       ILE   8 -11.063   6.389  -1.083
   50    HB   ILE   8           HB       ILE   8 -13.203   6.233   0.189
   51   1HG1  ILE   8          2HG1      ILE   8 -11.813   8.288   0.114
   52   2HG1  ILE   8          1HG1      ILE   8 -12.726   8.145   1.613
   53   1HG2  ILE   8          1HG2      ILE   8 -13.408   5.373   2.256
   54   2HG2  ILE   8          2HG2      ILE   8 -11.788   5.872   2.740
   55   3HG2  ILE   8          3HG2      ILE   8 -12.005   4.426   1.754
   56   1HD1  ILE   8          1HD1      ILE   8 -10.621   7.168   2.628
   57   2HD1  ILE   8          2HD1      ILE   8 -10.593   8.885   2.230
   58   3HD1  ILE   8          3HD1      ILE   8  -9.789   7.725   1.175
   59    H    ILE   9           H        ILE   9  -8.869   6.172  -1.095
   60    HA   ILE   9           HA       ILE   9  -7.635   5.759   1.457
   61    HB   ILE   9           HB       ILE   9  -7.973   3.493   0.567
   62   1HG1  ILE   9          2HG1      ILE   9  -5.847   2.667   1.241
   63   2HG1  ILE   9          1HG1      ILE   9  -5.061   4.179   0.866
   64   1HG2  ILE   9          1HG2      ILE   9  -7.748   3.527  -1.684
   65   2HG2  ILE   9          2HG2      ILE   9  -6.240   2.787  -1.173
   66   3HG2  ILE   9          3HG2      ILE   9  -6.270   4.487  -1.641
   67   1HD1  ILE   9          1HD1      ILE   9  -7.265   4.234   2.833
   68   2HD1  ILE   9          2HD1      ILE   9  -5.766   5.161   2.787
   69   3HD1  ILE   9          3HD1      ILE   9  -5.750   3.481   3.322
   70    H    GLY  10           H        GLY  10  -5.072   5.929   1.161
   71   1HA   GLY  10          2HA       GLY  10  -4.583   8.076  -0.770
   72   2HA   GLY  10          1HA       GLY  10  -4.190   8.304   0.927
   73    H    SER  11           H        SER  11  -2.161   8.657  -0.776
   74    HA   SER  11           HA       SER  11  -0.479   6.382  -0.212
   75   1HB   SER  11          2HB       SER  11   0.287   6.504  -2.713
   76   2HB   SER  11          1HB       SER  11  -1.162   5.588  -2.301
   77    HG   SER  11           HG       SER  11  -1.117   7.329  -4.089
   78    H    ARG  12           H        ARG  12   1.034   7.485   0.941
   79    HA   ARG  12           HA       ARG  12   2.838   9.179  -0.550
   80   1HB   ARG  12          2HB       ARG  12   0.949  10.307   1.415
   81   2HB   ARG  12          1HB       ARG  12   2.621  10.823   1.599
   82   1HG   ARG  12          2HG       ARG  12   1.021  11.036  -0.944
   83   2HG   ARG  12          1HG       ARG  12   1.289  12.349   0.202
   84   1HD   ARG  12          2HD       ARG  12   3.705  12.164  -0.159
   85   2HD   ARG  12          1HD       ARG  12   3.431  10.862  -1.315
   86    HE   ARG  12           HE       ARG  12   1.947  13.002  -2.217
   87   1HH1  ARG  12          1HH1      ARG  12   5.298  12.333  -1.553
   88   2HH1  ARG  12          2HH1      ARG  12   5.891  13.424  -2.761
   89   1HH2  ARG  12          1HH2      ARG  12   2.717  14.443  -3.813
   90   2HH2  ARG  12          2HH2      ARG  12   4.423  14.627  -4.043
   91    H    THR  13           H        THR  13   4.675   7.911  -0.060
   92    HA   THR  13           HA       THR  13   5.203   7.699   2.817
   93    HB   THR  13           HB       THR  13   6.429   5.594   1.180
   94    HG1  THR  13           1HG      THR  13   4.575   4.445   0.955
   95   1HG2  THR  13          1HG2      THR  13   6.846   5.637   3.532
   96   2HG2  THR  13          2HG2      THR  13   5.792   4.266   3.184
   97   3HG2  THR  13          3HG2      THR  13   5.120   5.741   3.878
   98    H    ALA  14           H        ALA  14   7.391   6.751   0.172
   99    HA   ALA  14           HA       ALA  14   9.116   9.011   0.831
  100   1HB   ALA  14          1HB       ALA  14  11.062   7.601   1.203
  101   2HB   ALA  14          2HB       ALA  14  10.067   6.159   1.012
  102   3HB   ALA  14          3HB       ALA  14   9.792   7.246   2.373
  103    H    GLY  15           H        GLY  15   9.244   5.945  -1.025
  104   1HA   GLY  15          2HA       GLY  15   9.012   6.248  -3.507
  105   2HA   GLY  15          1HA       GLY  15  10.152   7.570  -3.331
  106    H    GLU  16           H        GLU  16  12.043   6.502  -1.672
  107    HA   GLU  16           HA       GLU  16  13.643   5.020  -3.421
  108   1HB   GLU  16          2HB       GLU  16  14.670   6.310  -1.690
  109   2HB   GLU  16          1HB       GLU  16  13.788   5.447  -0.435
  110   1HG   GLU  16          2HG       GLU  16  15.040   3.405  -0.993
  111   2HG   GLU  16          1HG       GLU  16  15.940   4.308  -2.211
  112    H    GLY  17           H        GLY  17  11.240   4.041  -1.141
  113   1HA   GLY  17          2HA       GLY  17  11.634   1.251  -1.940
  114   2HA   GLY  17          1HA       GLY  17  11.555   1.637  -0.224
  115    H    ALA  18           H        ALA  18   9.618   3.388   0.069
  116    HA   ALA  18           HA       ALA  18   7.274   2.277  -1.261
  117   1HB   ALA  18          1HB       ALA  18   6.009   2.402   0.843
  118   2HB   ALA  18          2HB       ALA  18   7.493   2.875   1.675
  119   3HB   ALA  18          3HB       ALA  18   7.361   1.268   0.950
  120    H    MET  19           H        MET  19   5.488   3.775  -1.498
  121    HA   MET  19           HA       MET  19   5.802   6.473  -0.574
  122   1HB   MET  19          2HB       MET  19   7.250   5.924  -2.803
  123   2HB   MET  19          1HB       MET  19   5.743   6.480  -3.514
  124   1HG   MET  19          2HG       MET  19   7.087   8.058  -1.371
  125   2HG   MET  19          1HG       MET  19   7.621   8.175  -3.043
  126   1HE   MET  19          1HE       MET  19   5.180   7.979  -4.796
  127   2HE   MET  19          2HE       MET  19   6.256   9.365  -4.963
  128   3HE   MET  19          3HE       MET  19   4.513   9.609  -4.861
  129    H    GLU  20           H        GLU  20   3.768   4.276  -0.801
  130    HA   GLU  20           HA       GLU  20   1.577   6.040  -1.452
  131   1HB   GLU  20          2HB       GLU  20   1.499   3.306  -2.624
  132   2HB   GLU  20          1HB       GLU  20   0.540   4.679  -3.061
  133   1HG   GLU  20          2HG       GLU  20   3.498   4.509  -3.548
  134   2HG   GLU  20          1HG       GLU  20   2.296   3.956  -4.713
  135    H    TYR  21           H        TYR  21  -0.578   4.580  -0.943
  136    HA   TYR  21           HA       TYR  21  -0.108   2.718   1.166
  137   1HB   TYR  21          2HB       TYR  21   0.109   4.358   2.649
  138   2HB   TYR  21          1HB       TYR  21  -0.683   5.531   1.645
  139    HD1  TYR  21           1HD      TYR  21  -2.521   6.564   2.728
  140    HD2  TYR  21           2HD      TYR  21  -1.657   2.454   3.456
  141    HE1  TYR  21           1HE      TYR  21  -4.511   6.389   4.164
  142    HE2  TYR  21           2HE      TYR  21  -3.606   2.285   4.909
  143    HH   TYR  21           HH       TYR  21  -5.047   3.775   6.255
  144    H    LEU  22           H        LEU  22  -1.842   3.310  -1.387
  145    HA   LEU  22           HA       LEU  22  -4.348   2.831  -0.246
  146   1HB   LEU  22          2HB       LEU  22  -5.085   2.810  -2.701
  147   2HB   LEU  22          1HB       LEU  22  -4.447   4.301  -2.034
  148    HG   LEU  22           HG       LEU  22  -2.351   4.001  -3.143
  149   1HD1  LEU  22          1HD1      LEU  22  -1.955   1.679  -2.961
  150   2HD1  LEU  22          2HD1      LEU  22  -2.049   2.032  -4.687
  151   3HD1  LEU  22          3HD1      LEU  22  -3.417   1.286  -3.864
  152   1HD2  LEU  22          1HD2      LEU  22  -4.134   4.985  -4.467
  153   2HD2  LEU  22          2HD2      LEU  22  -4.643   3.383  -5.003
  154   3HD2  LEU  22          3HD2      LEU  22  -3.070   4.016  -5.488
  155    H    ILE  23           H        ILE  23  -5.583   1.412  -0.064
  156    HA   ILE  23           HA       ILE  23  -4.944  -1.285  -0.157
  157    HB   ILE  23           HB       ILE  23  -7.354   0.404   0.326
  158   1HG1  ILE  23          2HG1      ILE  23  -7.207  -0.848   2.537
  159   2HG1  ILE  23          1HG1      ILE  23  -5.669  -1.473   1.959
  160   1HG2  ILE  23          1HG2      ILE  23  -7.466  -2.586   0.368
  161   2HG2  ILE  23          2HG2      ILE  23  -8.203  -1.560  -0.860
  162   3HG2  ILE  23          3HG2      ILE  23  -8.740  -1.454   0.811
  163   1HD1  ILE  23          1HD1      ILE  23  -6.405   1.371   2.544
  164   2HD1  ILE  23          2HD1      ILE  23  -4.928   0.908   1.698
  165   3HD1  ILE  23          3HD1      ILE  23  -5.205   0.367   3.353
  166    H    GLU  24           H        GLU  24  -5.764   0.830  -2.637
  167    HA   GLU  24           HA       GLU  24  -7.385  -0.411  -4.355
  168   1HB   GLU  24          2HB       GLU  24  -6.175   1.790  -4.573
  169   2HB   GLU  24          1HB       GLU  24  -4.790   0.878  -5.157
  170   1HG   GLU  24          2HG       GLU  24  -6.135   0.025  -7.018
  171   2HG   GLU  24          1HG       GLU  24  -7.511   0.965  -6.443
  172    H    TRP  25           H        TRP  25  -4.401  -1.724  -3.249
  173    HA   TRP  25           HA       TRP  25  -3.787  -3.321  -5.493
  174   1HB   TRP  25          2HB       TRP  25  -2.600  -4.730  -3.557
  175   2HB   TRP  25          1HB       TRP  25  -1.944  -3.230  -4.187
  176    HD1  TRP  25           HD       TRP  25  -4.224  -4.308  -1.166
  177    HE1  TRP  25           1HE      TRP  25  -3.580  -2.767   0.840
  178    HE3  TRP  25           3HE      TRP  25  -0.693  -1.280  -3.386
  179    HZ2  TRP  25           2HZ      TRP  25  -2.016  -0.636   1.333
  180    HZ3  TRP  25           3HZ      TRP  25   0.347   0.462  -1.971
  181    HH2  TRP  25           HH       TRP  25  -0.306   0.803   0.310
  182    H    LYS  26           H        LYS  26  -6.640  -3.629  -4.605
  183    HA   LYS  26           HA       LYS  26  -8.201  -5.241  -4.338
  184   1HB   LYS  26          2HB       LYS  26  -6.170  -6.965  -5.753
  185   2HB   LYS  26          1HB       LYS  26  -7.917  -7.166  -5.748
  186   1HG   LYS  26          2HG       LYS  26  -8.216  -5.190  -7.057
  187   2HG   LYS  26          1HG       LYS  26  -6.507  -4.776  -6.912
  188   1HD   LYS  26          2HD       LYS  26  -5.954  -6.874  -8.125
  189   2HD   LYS  26          1HD       LYS  26  -7.682  -7.151  -8.358
  190   1HE   LYS  26          2HE       LYS  26  -6.151  -4.740  -9.331
  191   2HE   LYS  26          1HE       LYS  26  -6.612  -6.122 -10.325
  192   1HZ   LYS  26          1HZ       LYS  26  -8.148  -4.253 -10.563
  193   2HZ   LYS  26          2HZ       LYS  26  -8.512  -4.328  -8.912
  194   3HZ   LYS  26          3HZ       LYS  26  -8.926  -5.616  -9.928
  195    H    ASP  27           H        ASP  27  -6.394  -4.990  -2.100
  196    HA   ASP  27           HA       ASP  27  -5.940  -6.080  -0.147
  197   1HB   ASP  27          2HB       ASP  27  -8.271  -6.865  -0.353
  198   2HB   ASP  27          1HB       ASP  27  -7.719  -8.231  -1.313
  199    H    GLY  28           H        GLY  28  -4.360  -6.514  -2.655
  200   1HA   GLY  28          2HA       GLY  28  -3.437  -9.060  -3.044
  201   2HA   GLY  28          1HA       GLY  28  -2.397  -7.643  -3.116
  202    H    HIS  29           H        HIS  29  -1.815  -6.782  -0.839
  203    HA   HIS  29           HA       HIS  29  -1.419  -9.007   1.004
  204   1HB   HIS  29          2HB       HIS  29   0.950  -7.246   0.855
  205   2HB   HIS  29          1HB       HIS  29   0.835  -8.988   1.034
  206    HD1  HIS  29           1HD      HIS  29   0.998  -6.320  -1.601
  207    HD2  HIS  29           2HD      HIS  29   1.088 -10.463  -1.294
  208    HE1  HIS  29           1HE      HIS  29   1.707  -7.148  -3.869
  209    HE2  HIS  29           2HE      HIS  29   1.748  -9.659  -3.661
  210    H    SER  30           H        SER  30  -2.750  -8.263   2.521
  211    HA   SER  30           HA       SER  30  -3.637  -6.910   4.155
  212   1HB   SER  30          2HB       SER  30  -0.696  -6.463   4.589
  213   2HB   SER  30          1HB       SER  30  -1.973  -6.321   5.808
  214    HG   SER  30           HG       SER  30  -0.752  -8.568   4.789
  215    HA   PRO  31           HA       PRO  31  -4.165  -2.551   2.544
  216   1HB   PRO  31          2HB       PRO  31  -5.134  -2.209   5.271
  217   2HB   PRO  31          1HB       PRO  31  -6.024  -2.106   3.758
  218   1HG   PRO  31          2HG       PRO  31  -5.786  -4.365   5.622
  219   2HG   PRO  31          1HG       PRO  31  -7.014  -4.064   4.389
  220   1HD   PRO  31          2HD       PRO  31  -5.232  -6.019   4.083
  221   2HD   PRO  31          1HD       PRO  31  -5.722  -5.030   2.687
  222    H    SER  32           H        SER  32  -2.394  -1.309   2.622
  223    HA   SER  32           HA       SER  32  -1.009  -0.969   5.125
  224   1HB   SER  32          2HB       SER  32  -0.096  -3.021   4.151
  225   2HB   SER  32          1HB       SER  32   0.450  -2.088   2.752
  226    HG   SER  32           HG       SER  32   2.170  -1.763   3.921
  227    H    TRP  33           H        TRP  33   1.080   0.392   4.761
  228    HA   TRP  33           HA       TRP  33   0.354   2.501   2.864
  229   1HB   TRP  33          2HB       TRP  33   0.603   2.976   5.357
  230   2HB   TRP  33          1HB       TRP  33   2.310   2.597   5.197
  231    HD1  TRP  33           HD       TRP  33   3.685   4.314   3.445
  232    HE1  TRP  33           1HE      TRP  33   3.390   6.851   3.164
  233    HE3  TRP  33           3HE      TRP  33  -0.951   4.828   5.527
  234    HZ2  TRP  33           2HZ      TRP  33   1.424   8.822   3.738
  235    HZ3  TRP  33           3HZ      TRP  33  -1.971   7.065   5.612
  236    HH2  TRP  33           HH       TRP  33  -0.806   9.018   4.720
  237    H    VAL  34           H        VAL  34   1.253   1.568   1.020
  238    HA   VAL  34           HA       VAL  34   4.063   1.970   0.652
  239    HB   VAL  34           HB       VAL  34   3.185  -0.589   1.389
  240   1HG1  VAL  34          1HG1      VAL  34   3.871  -1.985  -0.547
  241   2HG1  VAL  34          2HG1      VAL  34   3.698  -0.595  -1.555
  242   3HG1  VAL  34          3HG1      VAL  34   2.313  -1.210  -0.680
  243   1HG2  VAL  34          1HG2      VAL  34   5.387   0.717   1.559
  244   2HG2  VAL  34          2HG2      VAL  34   5.795  -0.116   0.064
  245   3HG2  VAL  34          3HG2      VAL  34   5.410  -1.041   1.512
  246    HA   PRO  35           HA       PRO  35   2.631   2.330  -3.605
  247   1HB   PRO  35          2HB       PRO  35   4.892   1.707  -4.982
  248   2HB   PRO  35          1HB       PRO  35   4.643   3.245  -4.171
  249   1HG   PRO  35          2HG       PRO  35   6.451   1.109  -3.504
  250   2HG   PRO  35          1HG       PRO  35   6.356   2.734  -2.828
  251   1HD   PRO  35          2HD       PRO  35   5.379   0.222  -1.741
  252   2HD   PRO  35          1HD       PRO  35   5.504   1.795  -0.937
  253    H    SER  36           H        SER  36   1.680   1.251  -5.152
  254    HA   SER  36           HA       SER  36   1.129  -0.380  -6.633
  255   1HB   SER  36          2HB       SER  36   3.544  -0.659  -7.021
  256   2HB   SER  36          1HB       SER  36   3.615  -1.815  -5.692
  257    HG   SER  36           HG       SER  36   2.068  -2.086  -8.056
  258    H    SER  37           H        SER  37   2.405  -2.043  -3.676
  259    HA   SER  37           HA       SER  37  -0.245  -3.203  -3.395
  260   1HB   SER  37          2HB       SER  37   2.187  -4.946  -3.731
  261   2HB   SER  37          1HB       SER  37   0.563  -5.509  -3.337
  262    HG   SER  37           HG       SER  37   1.442  -4.255  -5.720
  263    H    TYR  38           H        TYR  38   3.021  -3.758  -1.999
  264    HA   TYR  38           HA       TYR  38   2.389  -2.898   0.567
  265   1HB   TYR  38          2HB       TYR  38   0.687  -4.591   0.604
  266   2HB   TYR  38          1HB       TYR  38   1.866  -5.820   0.125
  267    HD1  TYR  38           1HD      TYR  38   0.204  -4.252   2.681
  268    HD2  TYR  38           2HD      TYR  38   3.889  -6.103   1.817
  269    HE1  TYR  38           1HE      TYR  38   0.480  -4.647   5.048
  270    HE2  TYR  38           2HE      TYR  38   4.243  -6.539   4.217
  271    HH   TYR  38           HH       TYR  38   1.756  -6.178   6.535
  272    H    ILE  39           H        ILE  39   4.115  -3.237   2.005
  273    HA   ILE  39           HA       ILE  39   6.073  -5.151   1.806
  274    HB   ILE  39           HB       ILE  39   6.778  -4.487  -0.292
  275   1HG1  ILE  39          2HG1      ILE  39   9.017  -3.730  -0.036
  276   2HG1  ILE  39          1HG1      ILE  39   8.639  -2.863   1.441
  277   1HG2  ILE  39          1HG2      ILE  39   6.783  -2.387  -1.170
  278   2HG2  ILE  39          2HG2      ILE  39   7.037  -1.621   0.397
  279   3HG2  ILE  39          3HG2      ILE  39   5.464  -2.284  -0.010
  280   1HD1  ILE  39          1HD1      ILE  39   9.875  -4.876   1.928
  281   2HD1  ILE  39          2HD1      ILE  39   8.672  -5.849   1.082
  282   3HD1  ILE  39          3HD1      ILE  39   8.238  -5.007   2.568
  283    H    ALA  40           H        ALA  40   5.388  -4.727   3.986
  284    HA   ALA  40           HA       ALA  40   6.036  -2.351   5.323
  285   1HB   ALA  40          1HB       ALA  40   5.791  -3.662   7.378
  286   2HB   ALA  40          2HB       ALA  40   5.773  -5.140   6.414
  287   3HB   ALA  40          3HB       ALA  40   4.479  -3.955   6.236
  288    H    ALA  41           H        ALA  41   8.064  -1.663   4.852
  289    HA   ALA  41           HA       ALA  41  10.178  -2.452   6.483
  290   1HB   ALA  41          1HB       ALA  41  11.708  -3.499   4.875
  291   2HB   ALA  41          2HB       ALA  41  10.419  -3.517   3.671
  292   3HB   ALA  41          3HB       ALA  41  10.266  -4.478   5.142
  293    H    ASP  42           H        ASP  42   9.144  -0.990   3.474
  294    HA   ASP  42           HA       ASP  42   9.531   1.093   2.635
  295   1HB   ASP  42          2HB       ASP  42  11.560   1.527   4.834
  296   2HB   ASP  42          1HB       ASP  42  10.765   2.750   3.852
  297    H    VAL  43           H        VAL  43  11.045  -1.394   2.079
  298    HA   VAL  43           HA       VAL  43  13.430  -0.144   0.877
  299    HB   VAL  43           HB       VAL  43  14.538  -2.341   0.973
  300   1HG1  VAL  43          1HG1      VAL  43  14.995  -2.335   3.370
  301   2HG1  VAL  43          2HG1      VAL  43  13.562  -1.345   3.647
  302   3HG1  VAL  43          3HG1      VAL  43  14.922  -0.692   2.732
  303   1HG2  VAL  43          1HG2      VAL  43  12.929  -3.982   1.017
  304   2HG2  VAL  43          2HG2      VAL  43  11.933  -3.126   2.193
  305   3HG2  VAL  43          3HG2      VAL  43  13.408  -3.939   2.714
  306    H    VAL  44           H        VAL  44  10.453  -1.308   0.104
  307    HA   VAL  44           HA       VAL  44  11.178  -1.626  -2.661
  308    HB   VAL  44           HB       VAL  44   9.570  -3.952  -1.869
  309   1HG1  VAL  44          1HG1      VAL  44  10.241  -3.724  -4.128
  310   2HG1  VAL  44          2HG1      VAL  44  11.172  -5.059  -3.451
  311   3HG1  VAL  44          3HG1      VAL  44  11.928  -3.481  -3.672
  312   1HG2  VAL  44          1HG2      VAL  44  11.160  -3.941   0.012
  313   2HG2  VAL  44          2HG2      VAL  44  12.498  -3.927  -1.136
  314   3HG2  VAL  44          3HG2      VAL  44  11.413  -5.314  -1.064
  315    H    SER  45           H        SER  45   9.197  -2.107  -4.002
  316    HA   SER  45           HA       SER  45   6.877  -0.649  -2.905
  317   1HB   SER  45          2HB       SER  45   7.905   0.318  -4.907
  318   2HB   SER  45          1HB       SER  45   7.706  -1.208  -5.770
  319    HG   SER  45           HG       SER  45   5.479  -0.950  -5.643
  320    H    GLU  46           H        GLU  46   7.444  -3.620  -2.518
  321    HA   GLU  46           HA       GLU  46   4.835  -4.581  -2.864
  322   1HB   GLU  46          2HB       GLU  46   5.387  -4.536  -5.254
  323   2HB   GLU  46          1HB       GLU  46   6.772  -5.579  -4.958
  324   1HG   GLU  46          2HG       GLU  46   5.291  -7.366  -4.233
  325   2HG   GLU  46          1HG       GLU  46   3.893  -6.323  -4.488
  326    H    TYR  47           H        TYR  47   4.501  -6.634  -1.975
  327    HA   TYR  47           HA       TYR  47   6.522  -7.523  -0.173
  328   1HB   TYR  47          2HB       TYR  47   3.912  -7.573   0.091
  329   2HB   TYR  47          1HB       TYR  47   4.039  -9.101  -0.779
  330    HD1  TYR  47           1HD      TYR  47   5.698  -7.375   2.095
  331    HD2  TYR  47           2HD      TYR  47   4.189 -11.017   0.493
  332    HE1  TYR  47           1HE      TYR  47   6.258  -8.523   4.195
  333    HE2  TYR  47           2HE      TYR  47   4.742 -12.175   2.591
  334    HH   TYR  47           HH       TYR  47   6.354 -11.857   4.498
  Start of MODEL    9
    1   1H    GLY   1          1HT       GLY   1  -8.114  -8.625   8.749
    2   2H    GLY   1          2HT       GLY   1  -9.379  -7.588   9.178
    3   3H    GLY   1          3HT       GLY   1  -7.893  -7.486   9.981
    4   1HA   GLY   1          1HA       GLY   1  -6.807  -6.776   7.938
    5   2HA   GLY   1          2HA       GLY   1  -8.354  -6.872   7.112
    6    H    SER   2           H        SER   2  -7.050  -4.537   6.972
    7    HA   SER   2           HA       SER   2  -8.512  -2.803   8.853
    8   1HB   SER   2          2HB       SER   2  -5.831  -2.265   7.551
    9   2HB   SER   2          1HB       SER   2  -6.696  -1.158   8.619
   10    HG   SER   2           HG       SER   2  -5.172  -3.349   9.226
   11    H    GLY   3           H        GLY   3  -6.939  -2.728   5.648
   12   1HA   GLY   3          2HA       GLY   3  -9.230  -1.117   4.706
   13   2HA   GLY   3          1HA       GLY   3  -7.585  -0.849   4.153
   14    H    GLU   4           H        GLU   4  -6.819  -1.982   2.459
   15    HA   GLU   4           HA       GLU   4  -6.992  -3.111   0.479
   16   1HB   GLU   4          2HB       GLU   4  -7.054  -5.461   0.718
   17   2HB   GLU   4          1HB       GLU   4  -6.341  -4.855   2.201
   18   1HG   GLU   4          2HG       GLU   4  -8.411  -5.174   3.387
   19   2HG   GLU   4          1HG       GLU   4  -9.234  -5.626   1.895
   20    H    VAL   5           H        VAL   5  -9.397  -1.631   1.303
   21    HA   VAL   5           HA       VAL   5 -11.593  -3.275   0.358
   22    HB   VAL   5           HB       VAL   5 -11.637  -0.383   1.215
   23   1HG1  VAL   5          1HG1      VAL   5 -13.544  -0.868  -0.126
   24   2HG1  VAL   5          2HG1      VAL   5 -14.072  -0.872   1.556
   25   3HG1  VAL   5          3HG1      VAL   5 -13.817  -2.397   0.709
   26   1HG2  VAL   5          1HG2      VAL   5 -12.625  -1.325   3.325
   27   2HG2  VAL   5          2HG2      VAL   5 -10.910  -1.656   3.086
   28   3HG2  VAL   5          3HG2      VAL   5 -12.103  -2.918   2.774
   29    H    ASN   6           H        ASN   6  -9.267  -1.281  -1.049
   30    HA   ASN   6           HA       ASN   6  -9.088  -0.210  -3.054
   31   1HB   ASN   6          2HB       ASN   6  -9.321  -2.483  -3.876
   32   2HB   ASN   6          1HB       ASN   6 -11.075  -2.373  -3.781
   33   1HD2  ASN   6          1HD2      ASN   6  -8.957   0.176  -4.933
   34   2HD2  ASN   6          2HD2      ASN   6  -9.493   0.135  -6.573
   35    H    LYS   7           H        LYS   7 -10.237   1.676  -1.991
   36    HA   LYS   7           HA       LYS   7 -12.664   2.313  -3.476
   37   1HB   LYS   7          2HB       LYS   7 -13.374   3.410  -1.137
   38   2HB   LYS   7          1HB       LYS   7 -13.826   1.778  -1.604
   39   1HG   LYS   7          2HG       LYS   7 -12.278   0.797  -0.187
   40   2HG   LYS   7          1HG       LYS   7 -11.286   2.254  -0.074
   41   1HD   LYS   7          2HD       LYS   7 -14.085   2.024   1.038
   42   2HD   LYS   7          1HD       LYS   7 -12.628   1.706   1.980
   43   1HE   LYS   7          2HE       LYS   7 -13.239   4.306   0.580
   44   2HE   LYS   7          1HE       LYS   7 -13.533   3.994   2.291
   45   1HZ   LYS   7          1HZ       LYS   7 -11.432   5.160   1.890
   46   2HZ   LYS   7          2HZ       LYS   7 -10.875   3.853   0.973
   47   3HZ   LYS   7          3HZ       LYS   7 -11.186   3.656   2.625
   48    H    ILE   8           H        ILE   8 -11.698   4.308  -0.764
   49    HA   ILE   8           HA       ILE   8 -10.306   6.156  -2.557
   50    HB   ILE   8           HB       ILE   8 -12.534   7.006  -2.599
   51   1HG1  ILE   8          2HG1      ILE   8 -12.236   9.220  -1.756
   52   2HG1  ILE   8          1HG1      ILE   8 -11.136   8.668  -0.499
   53   1HG2  ILE   8          1HG2      ILE   8 -12.527   6.884   0.412
   54   2HG2  ILE   8          2HG2      ILE   8 -13.399   5.793  -0.664
   55   3HG2  ILE   8          3HG2      ILE   8 -13.831   7.501  -0.603
   56   1HD1  ILE   8          1HD1      ILE   8 -10.555   8.580  -3.449
   57   2HD1  ILE   8          2HD1      ILE   8  -9.446   8.172  -2.139
   58   3HD1  ILE   8          3HD1      ILE   8 -10.001   9.834  -2.340
   59    H    ILE   9           H        ILE   9  -8.365   6.193  -1.654
   60    HA   ILE   9           HA       ILE   9  -8.083   7.219   1.023
   61    HB   ILE   9           HB       ILE   9  -8.253   4.671   1.161
   62   1HG1  ILE   9          2HG1      ILE   9  -5.686   5.550   2.382
   63   2HG1  ILE   9          1HG1      ILE   9  -7.136   6.464   2.782
   64   1HG2  ILE   9          1HG2      ILE   9  -5.373   4.477   0.617
   65   2HG2  ILE   9          2HG2      ILE   9  -6.420   4.648  -0.794
   66   3HG2  ILE   9          3HG2      ILE   9  -6.685   3.330   0.342
   67   1HD1  ILE   9          1HD1      ILE   9  -8.199   4.485   3.637
   68   2HD1  ILE   9          2HD1      ILE   9  -6.623   4.687   4.402
   69   3HD1  ILE   9          3HD1      ILE   9  -6.837   3.492   3.125
   70    H    GLY  10           H        GLY  10  -5.534   7.303   1.499
   71   1HA   GLY  10          2HA       GLY  10  -4.469   8.706  -0.840
   72   2HA   GLY  10          1HA       GLY  10  -4.042   9.048   0.827
   73    H    SER  11           H        SER  11  -2.057   8.821  -0.884
   74    HA   SER  11           HA       SER  11  -0.623   6.494  -0.072
   75   1HB   SER  11          2HB       SER  11  -0.040   5.889  -2.465
   76   2HB   SER  11          1HB       SER  11  -1.662   5.469  -1.938
   77    HG   SER  11           HG       SER  11  -1.185   7.951  -3.171
   78    H    ARG  12           H        ARG  12   1.018   7.555   0.797
   79    HA   ARG  12           HA       ARG  12   2.910   8.847  -0.945
   80   1HB   ARG  12          2HB       ARG  12   1.415  10.731  -0.453
   81   2HB   ARG  12          1HB       ARG  12   1.598  10.438   1.270
   82   1HG   ARG  12          2HG       ARG  12   3.988  10.961   1.093
   83   2HG   ARG  12          1HG       ARG  12   3.774  11.292  -0.628
   84   1HD   ARG  12          2HD       ARG  12   2.171  13.067  -0.072
   85   2HD   ARG  12          1HD       ARG  12   2.426  12.749   1.644
   86    HE   ARG  12           HE       ARG  12   4.922  13.253   0.592
   87   1HH1  ARG  12          1HH1      ARG  12   1.894  14.950   0.869
   88   2HH1  ARG  12          2HH1      ARG  12   2.629  16.518   0.929
   89   1HH2  ARG  12          1HH2      ARG  12   5.902  15.312   0.671
   90   2HH2  ARG  12          2HH2      ARG  12   4.909  16.724   0.816
   91    H    THR  13           H        THR  13   4.607   7.491  -0.250
   92    HA   THR  13           HA       THR  13   4.913   7.333   2.661
   93    HB   THR  13           HB       THR  13   6.347   5.410   0.929
   94    HG1  THR  13           1HG      THR  13   4.564   4.078   0.920
   95   1HG2  THR  13          1HG2      THR  13   6.106   3.972   2.867
   96   2HG2  THR  13          2HG2      THR  13   5.141   5.210   3.672
   97   3HG2  THR  13          3HG2      THR  13   6.845   5.507   3.323
   98    H    ALA  14           H        ALA  14   7.457   6.682   0.261
   99    HA   ALA  14           HA       ALA  14   8.941   8.985   1.264
  100   1HB   ALA  14          1HB       ALA  14   9.486   7.173   2.817
  101   2HB   ALA  14          2HB       ALA  14  10.890   7.685   1.881
  102   3HB   ALA  14          3HB       ALA  14  10.048   6.192   1.463
  103    H    GLY  15           H        GLY  15   9.302   6.049  -0.746
  104   1HA   GLY  15          2HA       GLY  15   9.483   6.390  -3.176
  105   2HA   GLY  15          1HA       GLY  15  10.455   7.813  -2.828
  106    H    GLU  16           H        GLU  16  12.018   6.574  -0.736
  107    HA   GLU  16           HA       GLU  16  14.136   5.532  -2.242
  108   1HB   GLU  16          2HB       GLU  16  15.191   5.031  -0.143
  109   2HB   GLU  16          1HB       GLU  16  14.288   6.527   0.065
  110   1HG   GLU  16          2HG       GLU  16  12.508   5.338   1.188
  111   2HG   GLU  16          1HG       GLU  16  13.332   3.803   0.917
  112    H    GLY  17           H        GLY  17  11.433   4.066  -0.634
  113   1HA   GLY  17          2HA       GLY  17  12.013   1.522  -1.974
  114   2HA   GLY  17          1HA       GLY  17  11.692   1.520  -0.242
  115    H    ALA  18           H        ALA  18   9.682   3.100   0.197
  116    HA   ALA  18           HA       ALA  18   7.537   2.252  -1.618
  117   1HB   ALA  18          1HB       ALA  18   7.529   2.525   1.381
  118   2HB   ALA  18          2HB       ALA  18   7.295   1.048   0.441
  119   3HB   ALA  18          3HB       ALA  18   6.060   2.310   0.428
  120    H    MET  19           H        MET  19   5.836   3.775  -2.060
  121    HA   MET  19           HA       MET  19   5.923   6.347  -0.764
  122   1HB   MET  19          2HB       MET  19   7.363   5.965  -3.101
  123   2HB   MET  19          1HB       MET  19   5.881   6.743  -3.642
  124   1HG   MET  19          2HG       MET  19   7.377   7.830  -1.315
  125   2HG   MET  19          1HG       MET  19   7.924   8.176  -2.952
  126   1HE   MET  19          1HE       MET  19   6.160  11.511  -1.820
  127   2HE   MET  19          2HE       MET  19   7.631  10.819  -2.502
  128   3HE   MET  19          3HE       MET  19   7.148  10.416  -0.854
  129    H    GLU  20           H        GLU  20   3.878   4.327  -0.836
  130    HA   GLU  20           HA       GLU  20   1.698   5.980  -1.725
  131   1HB   GLU  20          2HB       GLU  20   2.006   3.203  -2.801
  132   2HB   GLU  20          1HB       GLU  20   0.582   4.190  -3.010
  133   1HG   GLU  20          2HG       GLU  20   2.188   5.863  -4.128
  134   2HG   GLU  20          1HG       GLU  20   3.315   4.503  -4.214
  135    H    TYR  21           H        TYR  21  -0.454   4.130  -1.344
  136    HA   TYR  21           HA       TYR  21   0.073   2.924   1.132
  137   1HB   TYR  21          2HB       TYR  21   0.113   4.892   2.102
  138   2HB   TYR  21          1HB       TYR  21  -1.138   5.579   1.129
  139    HD1  TYR  21           1HD      TYR  21  -2.361   6.621   2.672
  140    HD2  TYR  21           2HD      TYR  21  -1.498   2.494   3.250
  141    HE1  TYR  21           1HE      TYR  21  -3.944   6.575   4.511
  142    HE2  TYR  21           2HE      TYR  21  -3.070   2.438   5.143
  143    HH   TYR  21           HH       TYR  21  -4.103   3.998   6.739
  144    H    LEU  22           H        LEU  22  -3.157   3.780   1.436
  145    HA   LEU  22           HA       LEU  22  -3.606   0.962   1.253
  146   1HB   LEU  22          2HB       LEU  22  -4.761   3.195   2.689
  147   2HB   LEU  22          1HB       LEU  22  -5.986   2.134   2.023
  148    HG   LEU  22           HG       LEU  22  -3.711   1.208   3.779
  149   1HD1  LEU  22          1HD1      LEU  22  -5.375   1.016   5.542
  150   2HD1  LEU  22          2HD1      LEU  22  -6.606   1.690   4.473
  151   3HD1  LEU  22          3HD1      LEU  22  -5.247   2.687   4.990
  152   1HD2  LEU  22          1HD2      LEU  22  -6.197  -0.175   2.780
  153   2HD2  LEU  22          2HD2      LEU  22  -5.057  -0.843   3.948
  154   3HD2  LEU  22          3HD2      LEU  22  -4.538  -0.521   2.295
  155    H    ILE  23           H        ILE  23  -5.668   0.187   0.595
  156    HA   ILE  23           HA       ILE  23  -6.829  -0.513  -1.198
  157    HB   ILE  23           HB       ILE  23  -8.628   0.823  -1.689
  158   1HG1  ILE  23          2HG1      ILE  23  -8.230   3.466  -1.064
  159   2HG1  ILE  23          1HG1      ILE  23  -6.703   3.018  -1.802
  160   1HG2  ILE  23          1HG2      ILE  23  -8.967   2.264   0.463
  161   2HG2  ILE  23          2HG2      ILE  23  -7.477   1.460   0.967
  162   3HG2  ILE  23          3HG2      ILE  23  -8.892   0.505   0.539
  163   1HD1  ILE  23          1HD1      ILE  23  -7.570   3.055  -3.830
  164   2HD1  ILE  23          2HD1      ILE  23  -8.993   3.805  -3.108
  165   3HD1  ILE  23          3HD1      ILE  23  -8.940   2.060  -3.345
  166    H    GLU  24           H        GLU  24  -7.547   0.744  -3.605
  167    HA   GLU  24           HA       GLU  24  -6.707   1.195  -5.675
  168   1HB   GLU  24          2HB       GLU  24  -5.256   2.856  -4.089
  169   2HB   GLU  24          1HB       GLU  24  -3.969   1.815  -4.692
  170   1HG   GLU  24          2HG       GLU  24  -5.911   3.373  -6.378
  171   2HG   GLU  24          1HG       GLU  24  -4.227   3.801  -6.069
  172    H    TRP  25           H        TRP  25  -6.106  -1.269  -3.777
  173    HA   TRP  25           HA       TRP  25  -4.698  -2.775  -5.791
  174   1HB   TRP  25          2HB       TRP  25  -3.385  -3.964  -3.925
  175   2HB   TRP  25          1HB       TRP  25  -2.807  -2.403  -4.471
  176    HD1  TRP  25           HD       TRP  25  -5.356  -3.292  -1.616
  177    HE1  TRP  25           1HE      TRP  25  -4.458  -2.163   0.553
  178    HE3  TRP  25           3HE      TRP  25  -1.133  -1.106  -3.447
  179    HZ2  TRP  25           2HZ      TRP  25  -2.292  -0.676   1.338
  180    HZ3  TRP  25           3HZ      TRP  25   0.315   0.169  -1.903
  181    HH2  TRP  25           HH       TRP  25  -0.274   0.440   0.441
  182    H    LYS  26           H        LYS  26  -4.658  -5.253  -4.563
  183    HA   LYS  26           HA       LYS  26  -7.495  -5.603  -3.852
  184   1HB   LYS  26          2HB       LYS  26  -5.800  -7.276  -5.699
  185   2HB   LYS  26          1HB       LYS  26  -7.329  -7.835  -5.038
  186   1HG   LYS  26          2HG       LYS  26  -7.914  -7.028  -7.123
  187   2HG   LYS  26          1HG       LYS  26  -8.313  -5.686  -6.049
  188   1HD   LYS  26          2HD       LYS  26  -7.194  -4.795  -7.966
  189   2HD   LYS  26          1HD       LYS  26  -6.091  -4.688  -6.597
  190   1HE   LYS  26          2HE       LYS  26  -4.950  -6.710  -7.350
  191   2HE   LYS  26          1HE       LYS  26  -6.063  -6.837  -8.711
  192   1HZ   LYS  26          1HZ       LYS  26  -4.168  -4.600  -8.227
  193   2HZ   LYS  26          2HZ       LYS  26  -5.239  -4.717  -9.532
  194   3HZ   LYS  26          3HZ       LYS  26  -3.975  -5.829  -9.375
  195    H    ASP  27           H        ASP  27  -6.305  -5.369  -1.680
  196    HA   ASP  27           HA       ASP  27  -5.383  -6.319   0.216
  197   1HB   ASP  27          2HB       ASP  27  -6.627  -8.259   0.978
  198   2HB   ASP  27          1HB       ASP  27  -7.724  -7.156   0.151
  199    H    GLY  28           H        GLY  28  -3.806  -6.872  -2.235
  200   1HA   GLY  28          2HA       GLY  28  -2.932  -9.441  -2.561
  201   2HA   GLY  28          1HA       GLY  28  -1.872  -8.057  -2.698
  202    H    HIS  29           H        HIS  29  -1.299  -7.154  -0.287
  203    HA   HIS  29           HA       HIS  29  -0.730  -9.525   1.355
  204   1HB   HIS  29          2HB       HIS  29   1.310  -9.032  -0.022
  205   2HB   HIS  29          1HB       HIS  29   1.439  -7.450   0.757
  206    HD1  HIS  29           1HD      HIS  29   1.558 -11.143   1.624
  207    HD2  HIS  29           2HD      HIS  29   2.721  -7.461   3.160
  208    HE1  HIS  29           1HE      HIS  29   2.958 -11.669   3.646
  209    HE2  HIS  29           2HE      HIS  29   3.704  -9.428   4.522
  210    H    SER  30           H        SER  30  -2.141  -8.959   2.960
  211    HA   SER  30           HA       SER  30  -3.043  -7.730   4.700
  212   1HB   SER  30          2HB       SER  30  -0.133  -7.019   5.096
  213   2HB   SER  30          1HB       SER  30  -1.387  -7.136   6.344
  214    HG   SER  30           HG       SER  30  -0.109  -9.017   6.304
  215    HA   PRO  31           HA       PRO  31  -3.699  -3.583   2.620
  216   1HB   PRO  31          2HB       PRO  31  -4.882  -3.085   5.273
  217   2HB   PRO  31          1HB       PRO  31  -5.631  -2.981   3.679
  218   1HG   PRO  31          2HG       PRO  31  -5.693  -5.177   5.582
  219   2HG   PRO  31          1HG       PRO  31  -6.623  -4.978   4.091
  220   1HD   PRO  31          2HD       PRO  31  -4.714  -6.882   4.383
  221   2HD   PRO  31          1HD       PRO  31  -5.052  -6.122   2.816
  222    H    SER  32           H        SER  32  -2.174  -2.000   2.669
  223    HA   SER  32           HA       SER  32  -0.852  -1.405   5.202
  224   1HB   SER  32          2HB       SER  32   0.338  -3.356   4.132
  225   2HB   SER  32          1HB       SER  32   0.793  -2.249   2.827
  226    HG   SER  32           HG       SER  32   1.966  -2.581   5.193
  227    H    TRP  33           H        TRP  33   1.274  -0.020   4.470
  228    HA   TRP  33           HA       TRP  33   0.280   2.107   2.685
  229   1HB   TRP  33          2HB       TRP  33   0.542   2.707   5.129
  230   2HB   TRP  33          1HB       TRP  33   2.261   2.365   4.974
  231    HD1  TRP  33           HD       TRP  33   3.360   3.891   2.744
  232    HE1  TRP  33           1HE      TRP  33   3.076   6.415   2.388
  233    HE3  TRP  33           3HE      TRP  33  -0.748   4.683   5.689
  234    HZ2  TRP  33           2HZ      TRP  33   1.337   8.479   3.231
  235    HZ3  TRP  33           3HZ      TRP  33  -1.653   6.968   5.855
  236    HH2  TRP  33           HH       TRP  33  -0.630   8.823   4.633
  237    H    VAL  34           H        VAL  34   1.200   1.398   0.800
  238    HA   VAL  34           HA       VAL  34   4.017   1.656   0.531
  239    HB   VAL  34           HB       VAL  34   2.902  -0.998   0.895
  240   1HG1  VAL  34          1HG1      VAL  34   3.798  -2.248  -0.815
  241   2HG1  VAL  34          2HG1      VAL  34   4.782  -0.954  -1.429
  242   3HG1  VAL  34          3HG1      VAL  34   3.039  -0.920  -1.668
  243   1HG2  VAL  34          1HG2      VAL  34   5.106   0.490   1.621
  244   2HG2  VAL  34          2HG2      VAL  34   5.778  -0.736   0.556
  245   3HG2  VAL  34          3HG2      VAL  34   4.854  -1.210   1.978
  246    HA   PRO  35           HA       PRO  35   3.512   2.752  -3.689
  247   1HB   PRO  35          2HB       PRO  35   5.223   0.968  -4.914
  248   2HB   PRO  35          1HB       PRO  35   5.658   2.504  -4.162
  249   1HG   PRO  35          2HG       PRO  35   5.727  -0.250  -2.995
  250   2HG   PRO  35          1HG       PRO  35   6.960   1.023  -2.924
  251   1HD   PRO  35          2HD       PRO  35   5.413   0.659  -0.855
  252   2HD   PRO  35          1HD       PRO  35   5.661   2.286  -1.430
  253    H    SER  36           H        SER  36   1.247   1.532  -3.378
  254    HA   SER  36           HA       SER  36  -0.388   0.442  -4.541
  255   1HB   SER  36          2HB       SER  36   1.743   0.425  -6.685
  256   2HB   SER  36          1HB       SER  36   0.101  -0.165  -6.942
  257    HG   SER  36           HG       SER  36  -0.661   1.912  -6.441
  258    H    SER  37           H        SER  37   1.487  -0.928  -2.844
  259    HA   SER  37           HA       SER  37   0.743  -3.612  -3.581
  260   1HB   SER  37          2HB       SER  37   3.617  -3.125  -2.821
  261   2HB   SER  37          1HB       SER  37   2.904  -4.537  -3.597
  262    HG   SER  37           HG       SER  37   2.457  -3.049  -5.404
  263    H    TYR  38           H        TYR  38   3.012  -4.109  -1.321
  264    HA   TYR  38           HA       TYR  38   2.067  -2.918   1.034
  265   1HB   TYR  38          2HB       TYR  38   1.314  -5.631   1.484
  266   2HB   TYR  38          1HB       TYR  38   0.372  -4.184   1.749
  267    HD1  TYR  38           1HD      TYR  38  -1.698  -4.203   0.776
  268    HD2  TYR  38           2HD      TYR  38   1.516  -6.158  -1.204
  269    HE1  TYR  38           1HE      TYR  38  -3.244  -4.923  -1.007
  270    HE2  TYR  38           2HE      TYR  38  -0.011  -6.876  -2.995
  271    HH   TYR  38           HH       TYR  38  -3.443  -5.979  -2.974
  272    H    ILE  39           H        ILE  39   4.038  -2.773   1.626
  273    HA   ILE  39           HA       ILE  39   5.565  -5.074   2.340
  274    HB   ILE  39           HB       ILE  39   6.574  -5.201   0.312
  275   1HG1  ILE  39          2HG1      ILE  39   8.209  -3.832   1.998
  276   2HG1  ILE  39          1HG1      ILE  39   8.699  -4.407   0.419
  277   1HG2  ILE  39          1HG2      ILE  39   5.488  -2.497  -0.015
  278   2HG2  ILE  39          2HG2      ILE  39   5.225  -3.938  -0.997
  279   3HG2  ILE  39          3HG2      ILE  39   6.734  -3.024  -1.142
  280   1HD1  ILE  39          1HD1      ILE  39   8.868  -2.324  -0.431
  281   2HD1  ILE  39          2HD1      ILE  39   9.027  -1.866   1.263
  282   3HD1  ILE  39          3HD1      ILE  39   7.472  -1.726   0.461
  283    H    ALA  40           H        ALA  40   5.153  -4.157   4.317
  284    HA   ALA  40           HA       ALA  40   5.726  -1.520   4.999
  285   1HB   ALA  40          1HB       ALA  40   4.397  -3.082   6.329
  286   2HB   ALA  40          2HB       ALA  40   5.635  -2.262   7.283
  287   3HB   ALA  40          3HB       ALA  40   5.874  -3.934   6.771
  288    H    ALA  41           H        ALA  41   7.628  -0.858   4.114
  289    HA   ALA  41           HA       ALA  41   9.873  -0.517   3.912
  290   1HB   ALA  41          1HB       ALA  41   9.799  -1.178   6.846
  291   2HB   ALA  41          2HB       ALA  41   9.362   0.379   6.142
  292   3HB   ALA  41          3HB       ALA  41  11.018  -0.213   6.010
  293    H    ASP  42           H        ASP  42   9.568  -2.806   2.795
  294    HA   ASP  42           HA       ASP  42  11.600  -4.574   3.976
  295   1HB   ASP  42          2HB       ASP  42   9.341  -5.573   4.028
  296   2HB   ASP  42          1HB       ASP  42   9.255  -5.429   2.274
  297    H    VAL  43           H        VAL  43  10.670  -2.795   1.135
  298    HA   VAL  43           HA       VAL  43  13.126  -3.137  -0.112
  299    HB   VAL  43           HB       VAL  43  12.065  -4.442  -2.194
  300   1HG1  VAL  43          1HG1      VAL  43  13.020  -6.490  -0.500
  301   2HG1  VAL  43          2HG1      VAL  43  13.906  -5.018  -0.100
  302   3HG1  VAL  43          3HG1      VAL  43  13.891  -5.615  -1.760
  303   1HG2  VAL  43          1HG2      VAL  43  10.749  -6.328  -1.519
  304   2HG2  VAL  43          2HG2      VAL  43   9.939  -4.863  -0.972
  305   3HG2  VAL  43          3HG2      VAL  43  10.840  -5.852   0.173
  306    H    VAL  44           H        VAL  44  10.310  -3.457  -2.226
  307    HA   VAL  44           HA       VAL  44   9.625  -0.755  -2.401
  308    HB   VAL  44           HB       VAL  44  11.867  -0.312  -3.123
  309   1HG1  VAL  44          1HG1      VAL  44  11.421  -2.400  -5.253
  310   2HG1  VAL  44          2HG1      VAL  44  12.474  -2.556  -3.847
  311   3HG1  VAL  44          3HG1      VAL  44  12.846  -1.372  -5.100
  312   1HG2  VAL  44          1HG2      VAL  44  10.478  -0.264  -5.752
  313   2HG2  VAL  44          2HG2      VAL  44  11.384   1.005  -4.929
  314   3HG2  VAL  44          3HG2      VAL  44   9.745   0.613  -4.413
  315    H    SER  45           H        SER  45   7.736  -0.710  -3.296
  316    HA   SER  45           HA       SER  45   5.977  -1.011  -4.687
  317   1HB   SER  45          2HB       SER  45   7.629  -0.592  -6.461
  318   2HB   SER  45          1HB       SER  45   7.988  -2.317  -6.526
  319    HG   SER  45           HG       SER  45   6.249  -1.177  -7.967
  320    H    GLU  46           H        GLU  46   7.205  -3.396  -2.964
  321    HA   GLU  46           HA       GLU  46   4.983  -5.047  -3.150
  322   1HB   GLU  46          2HB       GLU  46   6.881  -5.530  -5.247
  323   2HB   GLU  46          1HB       GLU  46   6.782  -6.946  -4.209
  324   1HG   GLU  46          2HG       GLU  46   4.316  -6.905  -4.482
  325   2HG   GLU  46          1HG       GLU  46   4.510  -5.591  -5.642
  326    H    TYR  47           H        TYR  47   5.226  -7.172  -2.078
  327    HA   TYR  47           HA       TYR  47   7.441  -7.173  -0.139
  328   1HB   TYR  47          2HB       TYR  47   5.516  -6.569   1.107
  329   2HB   TYR  47          1HB       TYR  47   4.502  -7.788   0.330
  330    HD1  TYR  47           1HD      TYR  47   7.017  -7.106   2.893
  331    HD2  TYR  47           2HD      TYR  47   4.689 -10.137   1.028
  332    HE1  TYR  47           1HE      TYR  47   7.543  -8.638   4.743
  333    HE2  TYR  47           2HE      TYR  47   5.207 -11.679   2.873
  334    HH   TYR  47           HH       TYR  47   6.948 -11.970   4.597
  Start of MODEL   10
    1   1H    GLY   1          1HT       GLY   1 -11.531  -1.545  11.387
    2   2H    GLY   1          2HT       GLY   1 -13.153  -1.855  11.745
    3   3H    GLY   1          3HT       GLY   1 -12.715  -0.401  11.001
    4   1HA   GLY   1          1HA       GLY   1 -12.504  -3.111   9.808
    5   2HA   GLY   1          2HA       GLY   1 -13.699  -1.892   9.389
    6    H    SER   2           H        SER   2 -13.167  -1.561   7.284
    7    HA   SER   2           HA       SER   2 -12.047  -0.725   5.489
    8   1HB   SER   2          2HB       SER   2 -10.347   0.596   7.620
    9   2HB   SER   2          1HB       SER   2 -10.341   1.016   5.907
   10    HG   SER   2           HG       SER   2 -11.739   2.277   7.429
   11    H    GLY   3           H        GLY   3  -9.801  -0.639   4.427
   12   1HA   GLY   3          2HA       GLY   3  -7.561  -1.528   4.365
   13   2HA   GLY   3          1HA       GLY   3  -8.082  -2.797   5.463
   14    H    GLU   4           H        GLU   4  -6.910  -2.567   2.595
   15    HA   GLU   4           HA       GLU   4  -7.046  -3.663   0.612
   16   1HB   GLU   4          2HB       GLU   4  -7.483  -5.980   0.727
   17   2HB   GLU   4          1HB       GLU   4  -6.791  -5.542   2.281
   18   1HG   GLU   4          2HG       GLU   4  -8.863  -5.712   3.370
   19   2HG   GLU   4          1HG       GLU   4  -9.755  -5.731   1.848
   20    H    VAL   5           H        VAL   5  -9.395  -1.974   1.498
   21    HA   VAL   5           HA       VAL   5 -11.717  -3.085   0.291
   22    HB   VAL   5           HB       VAL   5 -11.174  -0.188   0.954
   23   1HG1  VAL   5          1HG1      VAL   5 -13.689  -1.820   0.592
   24   2HG1  VAL   5          2HG1      VAL   5 -13.160  -0.415  -0.335
   25   3HG1  VAL   5          3HG1      VAL   5 -13.671  -0.225   1.342
   26   1HG2  VAL   5          1HG2      VAL   5 -10.669  -1.539   2.907
   27   2HG2  VAL   5          2HG2      VAL   5 -12.203  -2.395   2.750
   28   3HG2  VAL   5          3HG2      VAL   5 -12.189  -0.679   3.151
   29    H    ASN   6           H        ASN   6  -8.953  -1.810  -1.149
   30    HA   ASN   6           HA       ASN   6  -8.512  -0.570  -3.068
   31   1HB   ASN   6          2HB       ASN   6  -8.937  -2.895  -3.819
   32   2HB   ASN   6          1HB       ASN   6 -10.631  -2.496  -4.052
   33   1HD2  ASN   6          1HD2      ASN   6  -7.407  -2.124  -5.252
   34   2HD2  ASN   6          2HD2      ASN   6  -7.833  -1.436  -6.781
   35    H    LYS   7           H        LYS   7  -9.351   1.531  -2.537
   36    HA   LYS   7           HA       LYS   7 -11.688   2.249  -4.050
   37   1HB   LYS   7          2HB       LYS   7 -12.841   3.246  -2.121
   38   2HB   LYS   7          1HB       LYS   7 -12.620   1.517  -1.908
   39   1HG   LYS   7          2HG       LYS   7 -10.604   2.025  -0.514
   40   2HG   LYS   7          1HG       LYS   7 -11.053   3.725  -0.592
   41   1HD   LYS   7          2HD       LYS   7 -13.199   3.227   0.451
   42   2HD   LYS   7          1HD       LYS   7 -12.786   1.513   0.501
   43   1HE   LYS   7          2HE       LYS   7 -12.400   2.499   2.670
   44   2HE   LYS   7          1HE       LYS   7 -10.858   2.049   1.942
   45   1HZ   LYS   7          1HZ       LYS   7 -10.526   4.350   1.298
   46   2HZ   LYS   7          2HZ       LYS   7 -10.756   4.233   2.969
   47   3HZ   LYS   7          3HZ       LYS   7 -12.012   4.785   1.980
   48    H    ILE   8           H        ILE   8 -11.628   4.718  -2.078
   49    HA   ILE   8           HA       ILE   8  -9.572   6.147  -3.574
   50    HB   ILE   8           HB       ILE   8 -11.813   6.902  -3.809
   51   1HG1  ILE   8          2HG1      ILE   8 -11.491   9.220  -3.421
   52   2HG1  ILE   8          1HG1      ILE   8 -10.552   8.927  -1.962
   53   1HG2  ILE   8          1HG2      ILE   8 -12.450   7.970  -1.270
   54   2HG2  ILE   8          2HG2      ILE   8 -11.955   6.290  -1.032
   55   3HG2  ILE   8          3HG2      ILE   8 -13.265   6.675  -2.149
   56   1HD1  ILE   8          1HD1      ILE   8  -9.219   9.749  -3.877
   57   2HD1  ILE   8          2HD1      ILE   8  -9.614   8.263  -4.743
   58   3HD1  ILE   8          3HD1      ILE   8  -8.673   8.192  -3.251
   59    H    ILE   9           H        ILE   9  -7.727   5.836  -2.326
   60    HA   ILE   9           HA       ILE   9  -7.792   7.174   0.283
   61    HB   ILE   9           HB       ILE   9  -7.766   4.655   0.242
   62   1HG1  ILE   9          2HG1      ILE   9  -6.696   6.513   1.995
   63   2HG1  ILE   9          1HG1      ILE   9  -7.071   4.838   2.354
   64   1HG2  ILE   9          1HG2      ILE   9  -6.303   4.075  -1.433
   65   2HG2  ILE   9          2HG2      ILE   9  -5.417   3.717   0.048
   66   3HG2  ILE   9          3HG2      ILE   9  -5.038   5.169  -0.859
   67   1HD1  ILE   9          1HD1      ILE   9  -4.444   6.122   1.840
   68   2HD1  ILE   9          2HD1      ILE   9  -4.643   4.407   1.508
   69   3HD1  ILE   9          3HD1      ILE   9  -4.935   5.027   3.127
   70    H    GLY  10           H        GLY  10  -5.395   7.574   1.035
   71   1HA   GLY  10          2HA       GLY  10  -4.072   8.970  -1.195
   72   2HA   GLY  10          1HA       GLY  10  -3.882   9.366   0.513
   73    H    SER  11           H        SER  11  -1.586   9.030  -0.942
   74    HA   SER  11           HA       SER  11  -0.428   6.713   0.216
   75   1HB   SER  11          2HB       SER  11   0.364   6.311  -2.434
   76   2HB   SER  11          1HB       SER  11  -0.720   5.292  -1.479
   77    HG   SER  11           HG       SER  11  -2.079   5.840  -2.999
   78    H    ARG  12           H        ARG  12   1.344   7.535   1.094
   79    HA   ARG  12           HA       ARG  12   3.354   8.776  -0.580
   80   1HB   ARG  12          2HB       ARG  12   2.162  10.330   1.726
   81   2HB   ARG  12          1HB       ARG  12   3.614  10.783   0.850
   82   1HG   ARG  12          2HG       ARG  12   2.185  12.087  -0.281
   83   2HG   ARG  12          1HG       ARG  12   1.879  10.611  -1.195
   84   1HD   ARG  12          2HD       ARG  12  -0.104  10.165  -0.001
   85   2HD   ARG  12          1HD       ARG  12   0.300  11.326   1.259
   86    HE   ARG  12           HE       ARG  12  -0.909  11.880  -1.306
   87   1HH1  ARG  12          1HH1      ARG  12   0.807  13.187   1.434
   88   2HH1  ARG  12          2HH1      ARG  12   0.234  14.802   1.183
   89   1HH2  ARG  12          1HH2      ARG  12  -1.665  14.005  -1.639
   90   2HH2  ARG  12          2HH2      ARG  12  -1.167  15.266  -0.562
   91    H    THR  13           H        THR  13   4.969   7.320   0.040
   92    HA   THR  13           HA       THR  13   5.317   6.985   2.924
   93    HB   THR  13           HB       THR  13   6.915   5.157   1.306
   94    HG1  THR  13           1HG      THR  13   5.189   3.827   0.780
   95   1HG2  THR  13          1HG2      THR  13   5.809   3.586   3.027
   96   2HG2  THR  13          2HG2      THR  13   5.290   5.085   3.799
   97   3HG2  THR  13          3HG2      THR  13   7.006   4.759   3.574
   98    H    ALA  14           H        ALA  14   7.777   6.527   0.397
   99    HA   ALA  14           HA       ALA  14   9.327   8.711   1.560
  100   1HB   ALA  14          1HB       ALA  14   9.909   6.767   2.930
  101   2HB   ALA  14          2HB       ALA  14  11.285   7.344   1.990
  102   3HB   ALA  14          3HB       ALA  14  10.409   5.901   1.478
  103    H    GLY  15           H        GLY  15   9.568   5.962  -0.717
  104   1HA   GLY  15          2HA       GLY  15   9.645   6.556  -3.113
  105   2HA   GLY  15          1HA       GLY  15  10.698   7.888  -2.665
  106    H    GLU  16           H        GLU  16  12.319   6.380  -0.813
  107    HA   GLU  16           HA       GLU  16  14.292   5.422  -2.551
  108   1HB   GLU  16          2HB       GLU  16  14.891   6.125  -0.329
  109   2HB   GLU  16          1HB       GLU  16  13.833   4.921   0.395
  110   1HG   GLU  16          2HG       GLU  16  15.262   3.141  -0.473
  111   2HG   GLU  16          1HG       GLU  16  16.320   4.348  -1.203
  112    H    GLY  17           H        GLY  17  11.584   3.887  -1.027
  113   1HA   GLY  17          2HA       GLY  17  11.957   1.530  -2.688
  114   2HA   GLY  17          1HA       GLY  17  11.911   1.271  -0.953
  115    H    ALA  18           H        ALA  18  10.028   3.069  -0.131
  116    HA   ALA  18           HA       ALA  18   7.667   2.224  -1.609
  117   1HB   ALA  18          1HB       ALA  18   7.996   2.386   1.379
  118   2HB   ALA  18          2HB       ALA  18   7.635   0.944   0.422
  119   3HB   ALA  18          3HB       ALA  18   6.420   2.217   0.597
  120    H    MET  19           H        MET  19   6.040   3.742  -2.003
  121    HA   MET  19           HA       MET  19   6.179   6.273  -0.629
  122   1HB   MET  19          2HB       MET  19   7.510   5.983  -3.035
  123   2HB   MET  19          1HB       MET  19   5.981   6.719  -3.502
  124   1HG   MET  19          2HG       MET  19   6.341   8.525  -1.937
  125   2HG   MET  19          1HG       MET  19   7.832   7.764  -1.393
  126   1HE   MET  19          1HE       MET  19   8.806  10.289  -1.822
  127   2HE   MET  19          2HE       MET  19   7.332  10.847  -2.613
  128   3HE   MET  19          3HE       MET  19   8.888  11.028  -3.421
  129    H    GLU  20           H        GLU  20   4.114   4.277  -0.605
  130    HA   GLU  20           HA       GLU  20   1.940   5.919  -1.496
  131   1HB   GLU  20          2HB       GLU  20   2.256   3.117  -2.453
  132   2HB   GLU  20          1HB       GLU  20   0.766   4.015  -2.600
  133   1HG   GLU  20          2HG       GLU  20   2.215   5.747  -3.838
  134   2HG   GLU  20          1HG       GLU  20   3.396   4.435  -3.980
  135    H    TYR  21           H        TYR  21  -0.055   3.589  -0.914
  136    HA   TYR  21           HA       TYR  21   0.441   3.450   1.929
  137   1HB   TYR  21          2HB       TYR  21  -0.256   5.609   1.656
  138   2HB   TYR  21          1HB       TYR  21  -1.617   5.044   0.724
  139    HD1  TYR  21           1HD      TYR  21  -2.446   6.964   2.727
  140    HD2  TYR  21           2HD      TYR  21  -1.430   2.832   3.216
  141    HE1  TYR  21           1HE      TYR  21  -3.846   6.823   4.752
  142    HE2  TYR  21           2HE      TYR  21  -2.784   2.716   5.243
  143    HH   TYR  21           HH       TYR  21  -3.664   4.298   6.970
  144    H    LEU  22           H        LEU  22  -2.860   3.549   0.976
  145    HA   LEU  22           HA       LEU  22  -3.100   0.719   1.622
  146   1HB   LEU  22          2HB       LEU  22  -3.832   2.326   3.412
  147   2HB   LEU  22          1HB       LEU  22  -5.154   2.764   2.379
  148    HG   LEU  22           HG       LEU  22  -6.066   0.530   2.550
  149   1HD1  LEU  22          1HD1      LEU  22  -3.498  -0.055   3.990
  150   2HD1  LEU  22          2HD1      LEU  22  -4.162  -0.856   2.564
  151   3HD1  LEU  22          3HD1      LEU  22  -4.926  -1.078   4.138
  152   1HD2  LEU  22          1HD2      LEU  22  -6.568   0.464   4.923
  153   2HD2  LEU  22          2HD2      LEU  22  -6.605   2.123   4.327
  154   3HD2  LEU  22          3HD2      LEU  22  -5.218   1.549   5.254
  155    H    ILE  23           H        ILE  23  -5.249  -0.198   1.062
  156    HA   ILE  23           HA       ILE  23  -6.312  -1.141  -0.686
  157    HB   ILE  23           HB       ILE  23  -8.105   0.442  -1.562
  158   1HG1  ILE  23          2HG1      ILE  23  -6.494   2.362  -0.782
  159   2HG1  ILE  23          1HG1      ILE  23  -8.220   2.597  -0.879
  160   1HG2  ILE  23          1HG2      ILE  23  -8.100  -1.176   0.410
  161   2HG2  ILE  23          2HG2      ILE  23  -9.408  -0.001   0.250
  162   3HG2  ILE  23          3HG2      ILE  23  -8.104   0.270   1.401
  163   1HD1  ILE  23          1HD1      ILE  23  -8.367   2.998   1.312
  164   2HD1  ILE  23          2HD1      ILE  23  -6.619   3.119   1.306
  165   3HD1  ILE  23          3HD1      ILE  23  -7.380   1.605   1.723
  166    H    GLU  24           H        GLU  24  -7.217   0.805  -3.041
  167    HA   GLU  24           HA       GLU  24  -6.477   0.953  -5.195
  168   1HB   GLU  24          2HB       GLU  24  -5.144   2.739  -3.960
  169   2HB   GLU  24          1HB       GLU  24  -3.810   1.594  -3.929
  170   1HG   GLU  24          2HG       GLU  24  -3.508   3.121  -5.751
  171   2HG   GLU  24          1HG       GLU  24  -3.857   1.515  -6.389
  172    H    TRP  25           H        TRP  25  -6.089  -1.604  -3.586
  173    HA   TRP  25           HA       TRP  25  -4.594  -3.032  -5.548
  174   1HB   TRP  25          2HB       TRP  25  -3.264  -4.229  -3.666
  175   2HB   TRP  25          1HB       TRP  25  -2.669  -2.722  -4.321
  176    HD1  TRP  25           HD       TRP  25  -5.037  -3.496  -1.264
  177    HE1  TRP  25           1HE      TRP  25  -4.037  -2.203   0.784
  178    HE3  TRP  25           3HE      TRP  25  -1.014  -1.235  -3.482
  179    HZ2  TRP  25           2HZ      TRP  25  -1.889  -0.651   1.341
  180    HZ3  TRP  25           3HZ      TRP  25   0.455   0.155  -2.018
  181    HH2  TRP  25           HH       TRP  25   0.017   0.506   0.237
  182    H    LYS  26           H        LYS  26  -4.466  -5.533  -4.381
  183    HA   LYS  26           HA       LYS  26  -7.277  -5.967  -3.616
  184   1HB   LYS  26          2HB       LYS  26  -5.591  -7.691  -5.433
  185   2HB   LYS  26          1HB       LYS  26  -7.228  -8.063  -4.910
  186   1HG   LYS  26          2HG       LYS  26  -8.028  -6.024  -6.027
  187   2HG   LYS  26          1HG       LYS  26  -6.385  -5.713  -6.593
  188   1HD   LYS  26          2HD       LYS  26  -6.407  -7.843  -7.807
  189   2HD   LYS  26          1HD       LYS  26  -8.053  -8.144  -7.245
  190   1HE   LYS  26          2HE       LYS  26  -8.806  -6.115  -8.404
  191   2HE   LYS  26          1HE       LYS  26  -7.161  -5.840  -8.978
  192   1HZ   LYS  26          1HZ       LYS  26  -7.272  -7.937 -10.177
  193   2HZ   LYS  26          2HZ       LYS  26  -8.516  -6.901 -10.667
  194   3HZ   LYS  26          3HZ       LYS  26  -8.852  -8.195  -9.628
  195    H    ASP  27           H        ASP  27  -5.940  -5.752  -1.462
  196    HA   ASP  27           HA       ASP  27  -5.118  -6.770   0.420
  197   1HB   ASP  27          2HB       ASP  27  -7.438  -7.758   0.143
  198   2HB   ASP  27          1HB       ASP  27  -6.666  -9.166  -0.567
  199    H    GLY  28           H        GLY  28  -3.503  -7.202  -2.107
  200   1HA   GLY  28          2HA       GLY  28  -2.510  -9.751  -2.369
  201   2HA   GLY  28          1HA       GLY  28  -1.510  -8.325  -2.551
  202    H    HIS  29           H        HIS  29  -1.044  -7.292  -0.168
  203    HA   HIS  29           HA       HIS  29  -0.435  -9.550   1.609
  204   1HB   HIS  29          2HB       HIS  29   1.624  -9.095   0.343
  205   2HB   HIS  29          1HB       HIS  29   1.596  -7.411   0.864
  206    HD1  HIS  29           1HD      HIS  29   2.448  -6.888   3.198
  207    HD2  HIS  29           2HD      HIS  29   2.322 -10.958   2.373
  208    HE1  HIS  29           1HE      HIS  29   3.705  -7.992   5.076
  209    HE2  HIS  29           2HE      HIS  29   3.549 -10.462   4.595
  210    H    SER  30           H        SER  30  -1.956  -8.972   3.113
  211    HA   SER  30           HA       SER  30  -2.987  -7.723   4.769
  212   1HB   SER  30          2HB       SER  30  -0.103  -7.012   5.310
  213   2HB   SER  30          1HB       SER  30  -1.422  -7.099   6.494
  214    HG   SER  30           HG       SER  30  -0.164  -8.993   6.547
  215    HA   PRO  31           HA       PRO  31  -3.588  -3.499   2.865
  216   1HB   PRO  31          2HB       PRO  31  -4.824  -3.124   5.521
  217   2HB   PRO  31          1HB       PRO  31  -5.525  -2.895   3.919
  218   1HG   PRO  31          2HG       PRO  31  -5.774  -5.170   5.668
  219   2HG   PRO  31          1HG       PRO  31  -6.548  -4.899   4.101
  220   1HD   PRO  31          2HD       PRO  31  -4.667  -6.840   4.568
  221   2HD   PRO  31          1HD       PRO  31  -4.959  -6.114   2.974
  222    H    SER  32           H        SER  32  -1.882  -2.143   2.952
  223    HA   SER  32           HA       SER  32  -0.581  -1.672   5.563
  224   1HB   SER  32          2HB       SER  32   0.513  -3.501   4.164
  225   2HB   SER  32          1HB       SER  32   0.918  -2.235   2.989
  226    HG   SER  32           HG       SER  32   1.687  -2.242   5.734
  227    H    TRP  33           H        TRP  33   1.652  -0.335   4.365
  228    HA   TRP  33           HA       TRP  33   0.583   1.965   2.890
  229   1HB   TRP  33          2HB       TRP  33   0.883   2.514   5.357
  230   2HB   TRP  33          1HB       TRP  33   2.592   2.125   5.164
  231    HD1  TRP  33           HD       TRP  33   3.805   3.659   3.087
  232    HE1  TRP  33           1HE      TRP  33   3.542   6.180   2.676
  233    HE3  TRP  33           3HE      TRP  33  -0.493   4.477   5.727
  234    HZ2  TRP  33           2HZ      TRP  33   1.735   8.250   3.369
  235    HZ3  TRP  33           3HZ      TRP  33  -1.410   6.760   5.806
  236    HH2  TRP  33           HH       TRP  33  -0.320   8.604   4.630
  237    H    VAL  34           H        VAL  34   1.410   1.293   1.014
  238    HA   VAL  34           HA       VAL  34   4.231   1.448   0.682
  239    HB   VAL  34           HB       VAL  34   2.959  -1.208   0.778
  240   1HG1  VAL  34          1HG1      VAL  34   5.220  -1.112  -1.133
  241   2HG1  VAL  34          2HG1      VAL  34   3.607  -0.786  -1.754
  242   3HG1  VAL  34          3HG1      VAL  34   3.941  -2.283  -0.952
  243   1HG2  VAL  34          1HG2      VAL  34   5.648   0.007   1.224
  244   2HG2  VAL  34          2HG2      VAL  34   5.390  -1.727   1.249
  245   3HG2  VAL  34          3HG2      VAL  34   4.545  -0.707   2.399
  246    HA   PRO  35           HA       PRO  35   3.781   2.768  -3.461
  247   1HB   PRO  35          2HB       PRO  35   5.541   1.025  -4.666
  248   2HB   PRO  35          1HB       PRO  35   5.998   2.499  -3.812
  249   1HG   PRO  35          2HG       PRO  35   5.797  -0.306  -2.766
  250   2HG   PRO  35          1HG       PRO  35   7.150   0.831  -2.616
  251   1HD   PRO  35          2HD       PRO  35   5.571   0.643  -0.590
  252   2HD   PRO  35          1HD       PRO  35   5.840   2.255  -1.213
  253    H    SER  36           H        SER  36   1.500   1.590  -3.346
  254    HA   SER  36           HA       SER  36  -0.064   0.579  -4.666
  255   1HB   SER  36          2HB       SER  36   1.039   1.544  -6.588
  256   2HB   SER  36          1HB       SER  36   2.272   0.282  -6.569
  257    HG   SER  36           HG       SER  36   0.866  -1.129  -7.378
  258    H    SER  37           H        SER  37   1.784  -0.902  -2.791
  259    HA   SER  37           HA       SER  37   0.764  -3.512  -3.509
  260   1HB   SER  37          2HB       SER  37   3.697  -3.184  -2.861
  261   2HB   SER  37          1HB       SER  37   2.867  -4.650  -3.377
  262    HG   SER  37           HG       SER  37   3.152  -4.048  -5.359
  263    H    TYR  38           H        TYR  38   3.130  -4.020  -1.224
  264    HA   TYR  38           HA       TYR  38   2.125  -2.937   1.142
  265   1HB   TYR  38          2HB       TYR  38   1.448  -5.646   1.553
  266   2HB   TYR  38          1HB       TYR  38   0.430  -4.240   1.764
  267    HD1  TYR  38           1HD      TYR  38  -1.599  -4.349   0.672
  268    HD2  TYR  38           2HD      TYR  38   1.808  -6.192  -1.095
  269    HE1  TYR  38           1HE      TYR  38  -2.976  -5.021  -1.255
  270    HE2  TYR  38           2HE      TYR  38   0.432  -6.888  -3.021
  271    HH   TYR  38           HH       TYR  38  -2.084  -5.703  -4.008
  272    H    ILE  39           H        ILE  39   3.991  -2.843   2.016
  273    HA   ILE  39           HA       ILE  39   5.549  -5.006   2.774
  274    HB   ILE  39           HB       ILE  39   6.142  -5.421   0.557
  275   1HG1  ILE  39          2HG1      ILE  39   8.463  -5.094   0.409
  276   2HG1  ILE  39          1HG1      ILE  39   8.406  -3.577   1.295
  277   1HG2  ILE  39          1HG2      ILE  39   5.123  -3.336  -0.290
  278   2HG2  ILE  39          2HG2      ILE  39   6.605  -3.814  -1.123
  279   3HG2  ILE  39          3HG2      ILE  39   6.642  -2.503   0.053
  280   1HD1  ILE  39          1HD1      ILE  39   7.860  -4.803   3.338
  281   2HD1  ILE  39          2HD1      ILE  39   9.369  -5.373   2.627
  282   3HD1  ILE  39          3HD1      ILE  39   7.892  -6.317   2.436
  283    H    ALA  40           H        ALA  40   4.435  -2.794   3.871
  284    HA   ALA  40           HA       ALA  40   6.424  -0.730   4.154
  285   1HB   ALA  40          1HB       ALA  40   4.909   0.409   5.454
  286   2HB   ALA  40          2HB       ALA  40   4.133  -1.066   6.031
  287   3HB   ALA  40          3HB       ALA  40   3.869  -0.519   4.377
  288    H    ALA  41           H        ALA  41   8.208  -1.747   4.841
  289    HA   ALA  41           HA       ALA  41   8.721  -1.813   7.576
  290   1HB   ALA  41          1HB       ALA  41   9.008  -4.199   8.002
  291   2HB   ALA  41          2HB       ALA  41   8.398  -4.571   6.390
  292   3HB   ALA  41          3HB       ALA  41   7.332  -3.838   7.589
  293    H    ASP  42           H        ASP  42   9.498  -3.044   4.381
  294    HA   ASP  42           HA       ASP  42  12.337  -2.946   5.043
  295   1HB   ASP  42          2HB       ASP  42  11.625  -5.035   4.061
  296   2HB   ASP  42          1HB       ASP  42  10.906  -4.190   2.693
  297    H    VAL  43           H        VAL  43  11.243  -2.539   1.729
  298    HA   VAL  43           HA       VAL  43  11.294   0.177   1.413
  299    HB   VAL  43           HB       VAL  43  13.518   0.191   2.435
  300   1HG1  VAL  43          1HG1      VAL  43  14.599  -1.391   0.136
  301   2HG1  VAL  43          2HG1      VAL  43  14.025  -2.178   1.604
  302   3HG1  VAL  43          3HG1      VAL  43  15.353  -1.022   1.687
  303   1HG2  VAL  43          1HG2      VAL  43  13.748   0.735  -0.516
  304   2HG2  VAL  43          2HG2      VAL  43  14.733   1.430   0.769
  305   3HG2  VAL  43          3HG2      VAL  43  13.018   1.825   0.660
  306    H    VAL  44           H        VAL  44   9.789  -1.207  -0.119
  307    HA   VAL  44           HA       VAL  44  11.040  -1.190  -2.729
  308    HB   VAL  44           HB       VAL  44  10.384  -3.516  -3.295
  309   1HG1  VAL  44          1HG1      VAL  44  12.312  -4.563  -2.263
  310   2HG1  VAL  44          2HG1      VAL  44  12.380  -3.290  -1.045
  311   3HG1  VAL  44          3HG1      VAL  44  12.703  -2.909  -2.737
  312   1HG2  VAL  44          1HG2      VAL  44   9.963  -5.106  -1.505
  313   2HG2  VAL  44          2HG2      VAL  44   8.741  -3.833  -1.500
  314   3HG2  VAL  44          3HG2      VAL  44  10.046  -3.809  -0.313
  315    H    SER  45           H        SER  45   9.562  -1.922  -4.477
  316    HA   SER  45           HA       SER  45   7.028  -0.575  -4.216
  317   1HB   SER  45          2HB       SER  45   8.262  -0.124  -6.191
  318   2HB   SER  45          1HB       SER  45   8.443  -1.841  -6.546
  319    HG   SER  45           HG       SER  45   6.306  -1.958  -7.068
  320    H    GLU  46           H        GLU  46   7.722  -3.488  -3.177
  321    HA   GLU  46           HA       GLU  46   5.121  -4.475  -3.218
  322   1HB   GLU  46          2HB       GLU  46   5.406  -4.825  -5.598
  323   2HB   GLU  46          1HB       GLU  46   6.898  -5.713  -5.324
  324   1HG   GLU  46          2HG       GLU  46   5.663  -7.477  -4.201
  325   2HG   GLU  46          1HG       GLU  46   4.162  -6.578  -4.414
  326    H    TYR  47           H        TYR  47   4.902  -6.659  -2.372
  327    HA   TYR  47           HA       TYR  47   6.521  -7.156  -0.184
  328   1HB   TYR  47          2HB       TYR  47   5.412  -9.347  -0.048
  329   2HB   TYR  47          1HB       TYR  47   4.259  -8.062  -0.387
  330    HD1  TYR  47           1HD      TYR  47   5.675 -11.176  -1.523
  331    HD2  TYR  47           2HD      TYR  47   3.384  -7.802  -2.735
  332    HE1  TYR  47           1HE      TYR  47   4.863 -12.435  -3.474
  333    HE2  TYR  47           2HE      TYR  47   2.568  -9.051  -4.689
  334    HH   TYR  47           HH       TYR  47   2.950 -12.401  -5.021
  Start of MODEL   11
    1   1H    GLY   1          1HT       GLY   1 -15.416  -2.005   7.729
    2   2H    GLY   1          2HT       GLY   1 -15.409  -3.619   7.219
    3   3H    GLY   1          3HT       GLY   1 -14.721  -2.420   6.243
    4   1HA   GLY   1          1HA       GLY   1 -13.729  -3.275   8.907
    5   2HA   GLY   1          2HA       GLY   1 -13.004  -3.699   7.364
    6    H    SER   2           H        SER   2 -11.092  -2.681   7.373
    7    HA   SER   2           HA       SER   2 -11.083   0.204   7.273
    8   1HB   SER   2          2HB       SER   2  -9.383   0.486   9.029
    9   2HB   SER   2          1HB       SER   2 -10.872  -0.188   9.690
   10    HG   SER   2           HG       SER   2  -8.495  -1.595   9.044
   11    H    GLY   3           H        GLY   3 -10.578  -1.073   5.124
   12   1HA   GLY   3          2HA       GLY   3  -8.508  -0.462   3.801
   13   2HA   GLY   3          1HA       GLY   3  -7.655  -1.460   4.969
   14    H    GLU   4           H        GLU   4  -7.184  -2.199   2.533
   15    HA   GLU   4           HA       GLU   4  -7.303  -3.847   0.989
   16   1HB   GLU   4          2HB       GLU   4  -7.033  -5.776   2.067
   17   2HB   GLU   4          1HB       GLU   4  -7.559  -4.980   3.533
   18   1HG   GLU   4          2HG       GLU   4  -9.910  -5.642   2.933
   19   2HG   GLU   4          1HG       GLU   4  -9.218  -6.629   1.646
   20    H    VAL   5           H        VAL   5  -9.685  -1.977   1.412
   21    HA   VAL   5           HA       VAL   5 -11.763  -3.606   0.121
   22    HB   VAL   5           HB       VAL   5 -12.110  -0.852   1.264
   23   1HG1  VAL   5          1HG1      VAL   5 -14.022  -3.028   0.455
   24   2HG1  VAL   5          2HG1      VAL   5 -13.861  -1.414  -0.236
   25   3HG1  VAL   5          3HG1      VAL   5 -14.503  -1.614   1.393
   26   1HG2  VAL   5          1HG2      VAL   5 -13.243  -2.171   3.180
   27   2HG2  VAL   5          2HG2      VAL   5 -11.488  -2.006   3.175
   28   3HG2  VAL   5          3HG2      VAL   5 -12.232  -3.510   2.631
   29    H    ASN   6           H        ASN   6  -9.312  -1.478  -0.657
   30    HA   ASN   6           HA       ASN   6  -8.906  -0.032  -2.373
   31   1HB   ASN   6          2HB       ASN   6  -9.552  -0.943  -4.577
   32   2HB   ASN   6          1HB       ASN   6  -8.876  -2.161  -3.497
   33   1HD2  ASN   6          1HD2      ASN   6 -10.028  -3.852  -2.890
   34   2HD2  ASN   6          2HD2      ASN   6 -11.630  -4.196  -3.451
   35    H    LYS   7           H        LYS   7 -10.070   1.676  -1.391
   36    HA   LYS   7           HA       LYS   7 -12.330   2.579  -2.999
   37   1HB   LYS   7          2HB       LYS   7 -13.368   3.354  -0.734
   38   2HB   LYS   7          1HB       LYS   7 -13.581   1.686  -1.254
   39   1HG   LYS   7          2HG       LYS   7 -12.268   0.855   0.390
   40   2HG   LYS   7          1HG       LYS   7 -11.192   2.261   0.416
   41   1HD   LYS   7          2HD       LYS   7 -12.963   3.545   1.559
   42   2HD   LYS   7          1HD       LYS   7 -13.999   2.118   1.550
   43   1HE   LYS   7          2HE       LYS   7 -13.006   2.243   3.704
   44   2HE   LYS   7          1HE       LYS   7 -12.205   0.929   2.843
   45   1HZ   LYS   7          1HZ       LYS   7 -10.362   2.406   2.363
   46   2HZ   LYS   7          2HZ       LYS   7 -10.625   2.325   4.031
   47   3HZ   LYS   7          3HZ       LYS   7 -11.135   3.682   3.160
   48    H    ILE   8           H        ILE   8 -11.765   4.263  -0.020
   49    HA   ILE   8           HA       ILE   8 -10.584   6.469  -1.477
   50    HB   ILE   8           HB       ILE   8 -12.414   6.881   0.154
   51   1HG1  ILE   8          2HG1      ILE   8 -10.655   8.604  -0.404
   52   2HG1  ILE   8          1HG1      ILE   8 -11.478   8.847   1.132
   53   1HG2  ILE   8          1HG2      ILE   8 -12.208   6.543   2.453
   54   2HG2  ILE   8          2HG2      ILE   8 -10.464   6.311   2.357
   55   3HG2  ILE   8          3HG2      ILE   8 -11.551   5.069   1.738
   56   1HD1  ILE   8          1HD1      ILE   8  -8.674   7.969   0.611
   57   2HD1  ILE   8          2HD1      ILE   8  -9.465   7.583   2.137
   58   3HD1  ILE   8          3HD1      ILE   8  -9.270   9.265   1.647
   59    H    ILE   9           H        ILE   9  -8.476   6.191  -1.841
   60    HA   ILE   9           HA       ILE   9  -6.829   5.032   0.288
   61    HB   ILE   9           HB       ILE   9  -5.101   4.789  -1.515
   62   1HG1  ILE   9          2HG1      ILE   9  -7.444   5.463  -3.312
   63   2HG1  ILE   9          1HG1      ILE   9  -6.049   6.500  -3.042
   64   1HG2  ILE   9          1HG2      ILE   9  -5.844   2.728  -1.427
   65   2HG2  ILE   9          2HG2      ILE   9  -6.970   3.114  -2.726
   66   3HG2  ILE   9          3HG2      ILE   9  -7.475   3.276  -1.043
   67   1HD1  ILE   9          1HD1      ILE   9  -5.974   5.246  -5.165
   68   2HD1  ILE   9          2HD1      ILE   9  -5.917   3.745  -4.241
   69   3HD1  ILE   9          3HD1      ILE   9  -4.604   4.916  -4.108
   70    H    GLY  10           H        GLY  10  -4.620   5.768   0.415
   71   1HA   GLY  10          2HA       GLY  10  -4.181   8.614  -0.164
   72   2HA   GLY  10          1HA       GLY  10  -4.027   8.052   1.507
   73    H    SER  11           H        SER  11  -1.931   8.988  -0.579
   74    HA   SER  11           HA       SER  11  -0.223   6.704  -0.100
   75   1HB   SER  11          2HB       SER  11   0.518   6.751  -2.556
   76   2HB   SER  11          1HB       SER  11  -1.052   6.029  -2.212
   77    HG   SER  11           HG       SER  11  -1.062   7.523  -3.988
   78    H    ARG  12           H        ARG  12   1.260   7.628   1.027
   79    HA   ARG  12           HA       ARG  12   3.113   9.397  -0.309
   80   1HB   ARG  12          2HB       ARG  12   1.441  11.013   0.519
   81   2HB   ARG  12          1HB       ARG  12   1.685  10.415   2.154
   82   1HG   ARG  12          2HG       ARG  12   4.094  11.094   1.931
   83   2HG   ARG  12          1HG       ARG  12   3.645  11.898   0.426
   84   1HD   ARG  12          2HD       ARG  12   2.640  12.492   3.202
   85   2HD   ARG  12          1HD       ARG  12   3.615  13.533   2.166
   86    HE   ARG  12           HE       ARG  12   1.350  13.101   0.722
   87   1HH1  ARG  12          1HH1      ARG  12   2.012  14.281   3.930
   88   2HH1  ARG  12          2HH1      ARG  12   0.612  15.299   3.987
   89   1HH2  ARG  12          1HH2      ARG  12  -0.499  14.438   0.786
   90   2HH2  ARG  12          2HH2      ARG  12  -0.816  15.388   2.199
   91    H    THR  13           H        THR  13   4.841   7.924   0.155
   92    HA   THR  13           HA       THR  13   5.251   7.540   3.029
   93    HB   THR  13           HB       THR  13   6.416   5.710   1.029
   94    HG1  THR  13           1HG      THR  13   4.638   4.497   1.060
   95   1HG2  THR  13          1HG2      THR  13   6.504   4.164   2.906
   96   2HG2  THR  13          2HG2      THR  13   5.746   5.380   3.932
   97   3HG2  THR  13          3HG2      THR  13   7.361   5.659   3.282
   98    H    ALA  14           H        ALA  14   7.695   6.918   0.541
   99    HA   ALA  14           HA       ALA  14   9.217   9.195   1.535
  100   1HB   ALA  14          1HB       ALA  14  11.168   7.811   2.126
  101   2HB   ALA  14          2HB       ALA  14  10.191   6.366   1.864
  102   3HB   ALA  14          3HB       ALA  14   9.768   7.495   3.151
  103    H    GLY  15           H        GLY  15   9.740   6.179  -0.326
  104   1HA   GLY  15          2HA       GLY  15   9.906   6.548  -2.806
  105   2HA   GLY  15          1HA       GLY  15  10.988   7.877  -2.413
  106    H    GLU  16           H        GLU  16  12.361   6.501  -0.285
  107    HA   GLU  16           HA       GLU  16  14.431   5.284  -1.720
  108   1HB   GLU  16          2HB       GLU  16  14.904   6.158   0.450
  109   2HB   GLU  16          1HB       GLU  16  13.647   5.180   1.193
  110   1HG   GLU  16          2HG       GLU  16  16.005   3.909  -0.143
  111   2HG   GLU  16          1HG       GLU  16  16.103   4.502   1.515
  112    H    GLY  17           H        GLY  17  11.510   4.052  -0.318
  113   1HA   GLY  17          2HA       GLY  17  11.930   1.506  -1.685
  114   2HA   GLY  17          1HA       GLY  17  11.611   1.462   0.047
  115    H    ALA  18           H        ALA  18   9.753   3.415   0.371
  116    HA   ALA  18           HA       ALA  18   7.554   2.619  -1.390
  117   1HB   ALA  18          1HB       ALA  18   7.479   2.938   1.605
  118   2HB   ALA  18          2HB       ALA  18   7.265   1.436   0.700
  119   3HB   ALA  18          3HB       ALA  18   6.045   2.709   0.601
  120    H    MET  19           H        MET  19   5.898   4.201  -1.764
  121    HA   MET  19           HA       MET  19   6.194   6.833  -0.580
  122   1HB   MET  19          2HB       MET  19   7.293   6.213  -3.115
  123   2HB   MET  19          1HB       MET  19   5.855   7.173  -3.424
  124   1HG   MET  19          2HG       MET  19   6.850   8.743  -1.606
  125   2HG   MET  19          1HG       MET  19   8.352   7.907  -1.990
  126   1HE   MET  19          1HE       MET  19   9.395   7.795  -4.412
  127   2HE   MET  19          2HE       MET  19   8.763   8.669  -5.807
  128   3HE   MET  19          3HE       MET  19   7.870   7.299  -5.146
  129    H    GLU  20           H        GLU  20   4.123   4.574  -0.797
  130    HA   GLU  20           HA       GLU  20   1.888   6.352  -1.315
  131   1HB   GLU  20          2HB       GLU  20   2.062   3.690  -2.686
  132   2HB   GLU  20          1HB       GLU  20   0.717   4.810  -2.799
  133   1HG   GLU  20          2HG       GLU  20   2.540   6.424  -3.740
  134   2HG   GLU  20          1HG       GLU  20   3.458   4.935  -4.018
  135    H    TYR  21           H        TYR  21  -0.258   4.957  -0.934
  136    HA   TYR  21           HA       TYR  21  -0.062   2.939   1.050
  137   1HB   TYR  21          2HB       TYR  21   0.313   4.462   2.662
  138   2HB   TYR  21          1HB       TYR  21  -0.424   5.768   1.777
  139    HD1  TYR  21           1HD      TYR  21  -2.081   6.750   2.885
  140    HD2  TYR  21           2HD      TYR  21  -1.687   2.522   3.264
  141    HE1  TYR  21           1HE      TYR  21  -4.054   6.712   4.305
  142    HE2  TYR  21           2HE      TYR  21  -3.670   2.480   4.722
  143    HH   TYR  21           HH       TYR  21  -4.925   4.031   6.192
  144    H    LEU  22           H        LEU  22  -1.323   2.711  -1.325
  145    HA   LEU  22           HA       LEU  22  -4.122   3.049  -0.584
  146   1HB   LEU  22          2HB       LEU  22  -4.668   2.973  -2.979
  147   2HB   LEU  22          1HB       LEU  22  -3.569   4.279  -2.583
  148    HG   LEU  22           HG       LEU  22  -1.867   2.224  -3.272
  149   1HD1  LEU  22          1HD1      LEU  22  -4.066   2.229  -5.321
  150   2HD1  LEU  22          2HD1      LEU  22  -3.965   1.012  -4.051
  151   3HD1  LEU  22          3HD1      LEU  22  -2.657   1.172  -5.223
  152   1HD2  LEU  22          1HD2      LEU  22  -2.996   4.374  -5.060
  153   2HD2  LEU  22          2HD2      LEU  22  -1.458   3.535  -5.272
  154   3HD2  LEU  22          3HD2      LEU  22  -1.700   4.596  -3.884
  155    H    ILE  23           H        ILE  23  -5.201   1.614   0.132
  156    HA   ILE  23           HA       ILE  23  -4.643  -1.034   0.163
  157    HB   ILE  23           HB       ILE  23  -6.947  -1.380   0.847
  158   1HG1  ILE  23          2HG1      ILE  23  -7.234   1.481  -0.071
  159   2HG1  ILE  23          1HG1      ILE  23  -8.152   0.079  -0.610
  160   1HG2  ILE  23          1HG2      ILE  23  -5.817   1.146   2.039
  161   2HG2  ILE  23          2HG2      ILE  23  -5.154  -0.457   2.349
  162   3HG2  ILE  23          3HG2      ILE  23  -6.804  -0.076   2.842
  163   1HD1  ILE  23          1HD1      ILE  23  -9.412   1.555   0.904
  164   2HD1  ILE  23          2HD1      ILE  23  -8.230   1.207   2.170
  165   3HD1  ILE  23          3HD1      ILE  23  -9.237  -0.088   1.521
  166    H    GLU  24           H        GLU  24  -5.877   0.775  -2.452
  167    HA   GLU  24           HA       GLU  24  -7.309  -1.258  -3.751
  168   1HB   GLU  24          2HB       GLU  24  -7.630   1.054  -4.352
  169   2HB   GLU  24          1HB       GLU  24  -5.955   1.185  -4.873
  170   1HG   GLU  24          2HG       GLU  24  -6.345  -0.243  -6.735
  171   2HG   GLU  24          1HG       GLU  24  -7.944  -0.680  -6.139
  172    H    TRP  25           H        TRP  25  -5.594  -2.889  -3.101
  173    HA   TRP  25           HA       TRP  25  -4.053  -3.451  -5.502
  174   1HB   TRP  25          2HB       TRP  25  -2.243  -4.356  -3.767
  175   2HB   TRP  25          1HB       TRP  25  -2.192  -2.725  -4.414
  176    HD1  TRP  25           HD       TRP  25  -4.221  -4.128  -1.369
  177    HE1  TRP  25           1HE      TRP  25  -3.625  -2.644   0.665
  178    HE3  TRP  25           3HE      TRP  25  -0.841  -0.977  -3.531
  179    HZ2  TRP  25           2HZ      TRP  25  -2.010  -0.479   1.242
  180    HZ3  TRP  25           3HZ      TRP  25   0.256   0.763  -2.135
  181    HH2  TRP  25           HH       TRP  25  -0.336   1.035   0.192
  182    H    LYS  26           H        LYS  26  -6.507  -4.427  -4.357
  183    HA   LYS  26           HA       LYS  26  -7.625  -6.379  -4.135
  184   1HB   LYS  26          2HB       LYS  26  -5.050  -7.538  -5.209
  185   2HB   LYS  26          1HB       LYS  26  -6.563  -8.421  -5.056
  186   1HG   LYS  26          2HG       LYS  26  -7.631  -6.939  -6.639
  187   2HG   LYS  26          1HG       LYS  26  -6.169  -5.958  -6.742
  188   1HD   LYS  26          2HD       LYS  26  -6.348  -8.871  -7.505
  189   2HD   LYS  26          1HD       LYS  26  -6.430  -7.523  -8.643
  190   1HE   LYS  26          2HE       LYS  26  -4.111  -8.157  -6.819
  191   2HE   LYS  26          1HE       LYS  26  -4.184  -8.499  -8.547
  192   1HZ   LYS  26          1HZ       LYS  26  -4.270  -5.806  -7.298
  193   2HZ   LYS  26          2HZ       LYS  26  -4.388  -6.114  -8.957
  194   3HZ   LYS  26          3HZ       LYS  26  -2.957  -6.476  -8.130
  195    H    ASP  27           H        ASP  27  -6.167  -5.345  -1.849
  196    HA   ASP  27           HA       ASP  27  -5.432  -5.967   0.227
  197   1HB   ASP  27          2HB       ASP  27  -6.794  -7.694   1.297
  198   2HB   ASP  27          1HB       ASP  27  -7.797  -6.634   0.314
  199    H    GLY  28           H        GLY  28  -3.872  -7.022  -2.033
  200   1HA   GLY  28          2HA       GLY  28  -3.093  -9.644  -1.860
  201   2HA   GLY  28          1HA       GLY  28  -1.988  -8.333  -2.231
  202    H    HIS  29           H        HIS  29  -1.489  -7.001  -0.056
  203    HA   HIS  29           HA       HIS  29  -1.013  -8.900   2.084
  204   1HB   HIS  29          2HB       HIS  29   1.055  -8.799   0.631
  205   2HB   HIS  29          1HB       HIS  29   1.226  -7.100   1.072
  206    HD1  HIS  29           1HD      HIS  29   1.555 -10.561   2.459
  207    HD2  HIS  29           2HD      HIS  29   2.158  -6.630   3.659
  208    HE1  HIS  29           1HE      HIS  29   2.848 -10.706   4.611
  209    HE2  HIS  29           2HE      HIS  29   3.117  -8.318   5.367
  210    H    SER  30           H        SER  30  -2.496  -7.915   3.304
  211    HA   SER  30           HA       SER  30  -3.478  -6.382   4.673
  212   1HB   SER  30          2HB       SER  30  -0.566  -5.826   5.198
  213   2HB   SER  30          1HB       SER  30  -1.906  -5.484   6.307
  214    HG   SER  30           HG       SER  30  -2.015  -7.538   6.822
  215    HA   PRO  31           HA       PRO  31  -4.050  -2.216   2.491
  216   1HB   PRO  31          2HB       PRO  31  -4.908  -1.583   5.237
  217   2HB   PRO  31          1HB       PRO  31  -5.862  -1.579   3.763
  218   1HG   PRO  31          2HG       PRO  31  -5.666  -3.639   5.816
  219   2HG   PRO  31          1HG       PRO  31  -6.848  -3.479   4.514
  220   1HD   PRO  31          2HD       PRO  31  -5.044  -5.463   4.536
  221   2HD   PRO  31          1HD       PRO  31  -5.547  -4.702   3.010
  222    H    SER  32           H        SER  32  -1.904  -1.792   2.326
  223    HA   SER  32           HA       SER  32  -0.462  -1.097   4.804
  224   1HB   SER  32          2HB       SER  32   0.444  -3.060   3.657
  225   2HB   SER  32          1HB       SER  32   0.678  -2.093   2.197
  226    HG   SER  32           HG       SER  32   2.294  -2.343   4.306
  227    H    TRP  33           H        TRP  33   1.308   0.408   4.581
  228    HA   TRP  33           HA       TRP  33   0.527   2.587   2.805
  229   1HB   TRP  33          2HB       TRP  33   0.857   2.892   5.315
  230   2HB   TRP  33          1HB       TRP  33   2.562   2.541   5.075
  231    HD1  TRP  33           HD       TRP  33   3.885   4.370   3.444
  232    HE1  TRP  33           1HE      TRP  33   3.550   6.906   3.298
  233    HE3  TRP  33           3HE      TRP  33  -0.730   4.746   5.619
  234    HZ2  TRP  33           2HZ      TRP  33   1.608   8.830   3.989
  235    HZ3  TRP  33           3HZ      TRP  33  -1.753   6.976   5.829
  236    HH2  TRP  33           HH       TRP  33  -0.607   8.973   5.009
  237    H    VAL  34           H        VAL  34   1.299   1.765   0.891
  238    HA   VAL  34           HA       VAL  34   4.135   1.950   0.521
  239    HB   VAL  34           HB       VAL  34   2.797  -0.602   0.818
  240   1HG1  VAL  34          1HG1      VAL  34   4.499  -0.482  -1.636
  241   2HG1  VAL  34          2HG1      VAL  34   2.749  -0.553  -1.631
  242   3HG1  VAL  34          3HG1      VAL  34   3.684  -1.847  -0.941
  243   1HG2  VAL  34          1HG2      VAL  34   5.695  -0.437   0.437
  244   2HG2  VAL  34          2HG2      VAL  34   4.761  -1.148   1.744
  245   3HG2  VAL  34          3HG2      VAL  34   5.028   0.589   1.700
  246    HA   PRO  35           HA       PRO  35   3.476   3.111  -3.674
  247   1HB   PRO  35          2HB       PRO  35   5.446   1.725  -4.903
  248   2HB   PRO  35          1HB       PRO  35   5.697   3.153  -3.895
  249   1HG   PRO  35          2HG       PRO  35   5.870   0.260  -3.113
  250   2HG   PRO  35          1HG       PRO  35   7.068   1.545  -2.857
  251   1HD   PRO  35          2HD       PRO  35   5.453   0.897  -0.905
  252   2HD   PRO  35          1HD       PRO  35   5.705   2.588  -1.263
  253    H    SER  36           H        SER  36   1.376   1.727  -3.715
  254    HA   SER  36           HA       SER  36   0.028   0.776  -5.313
  255   1HB   SER  36          2HB       SER  36   2.520  -0.006  -6.829
  256   2HB   SER  36          1HB       SER  36   0.868   0.038  -7.440
  257    HG   SER  36           HG       SER  36   1.587   1.952  -8.068
  258    H    SER  37           H        SER  37   1.676  -0.711  -3.120
  259    HA   SER  37           HA       SER  37   0.233  -3.111  -3.518
  260   1HB   SER  37          2HB       SER  37   3.203  -3.603  -3.447
  261   2HB   SER  37          1HB       SER  37   1.907  -4.722  -3.830
  262    HG   SER  37           HG       SER  37   3.297  -3.496  -5.555
  263    H    TYR  38           H        TYR  38   3.111  -3.666  -1.723
  264    HA   TYR  38           HA       TYR  38   2.404  -2.661   0.789
  265   1HB   TYR  38          2HB       TYR  38   2.009  -5.354   1.340
  266   2HB   TYR  38          1HB       TYR  38   0.776  -4.108   1.394
  267    HD1  TYR  38           1HD      TYR  38  -1.031  -4.181  -0.073
  268    HD2  TYR  38           2HD      TYR  38   2.424  -6.493  -0.933
  269    HE1  TYR  38           1HE      TYR  38  -2.182  -5.164  -2.009
  270    HE2  TYR  38           2HE      TYR  38   1.276  -7.511  -2.864
  271    HH   TYR  38           HH       TYR  38  -1.652  -6.254  -4.110
  272    H    ILE  39           H        ILE  39   4.281  -2.926   2.030
  273    HA   ILE  39           HA       ILE  39   6.136  -5.002   1.256
  274    HB   ILE  39           HB       ILE  39   7.739  -3.789   0.198
  275   1HG1  ILE  39          2HG1      ILE  39   6.904  -1.378   1.830
  276   2HG1  ILE  39          1HG1      ILE  39   8.424  -2.256   1.910
  277   1HG2  ILE  39          1HG2      ILE  39   6.711  -2.011  -1.235
  278   2HG2  ILE  39          2HG2      ILE  39   5.275  -2.167  -0.229
  279   3HG2  ILE  39          3HG2      ILE  39   5.815  -3.531  -1.176
  280   1HD1  ILE  39          1HD1      ILE  39   8.745  -1.481  -0.521
  281   2HD1  ILE  39          2HD1      ILE  39   9.005  -0.336   0.792
  282   3HD1  ILE  39          3HD1      ILE  39   7.508  -0.292  -0.133
  283    H    ALA  40           H        ALA  40   4.662  -4.251   3.614
  284    HA   ALA  40           HA       ALA  40   6.331  -2.940   5.468
  285   1HB   ALA  40          1HB       ALA  40   4.866  -3.837   7.145
  286   2HB   ALA  40          2HB       ALA  40   4.260  -5.048   6.013
  287   3HB   ALA  40          3HB       ALA  40   3.923  -3.339   5.739
  288    H    ALA  41           H        ALA  41   8.384  -3.680   5.220
  289    HA   ALA  41           HA       ALA  41   9.602  -5.337   6.893
  290   1HB   ALA  41          1HB       ALA  41   8.596  -7.017   4.604
  291   2HB   ALA  41          2HB       ALA  41   8.396  -7.293   6.336
  292   3HB   ALA  41          3HB       ALA  41   9.981  -7.486   5.589
  293    H    ASP  42           H        ASP  42  10.140  -3.089   5.257
  294    HA   ASP  42           HA       ASP  42  11.757  -2.105   4.015
  295   1HB   ASP  42          2HB       ASP  42  13.316  -4.522   4.945
  296   2HB   ASP  42          1HB       ASP  42  14.028  -3.084   4.215
  297    H    VAL  43           H        VAL  43  10.702  -2.325   1.990
  298    HA   VAL  43           HA       VAL  43  12.245  -3.920   0.110
  299    HB   VAL  43           HB       VAL  43   9.412  -4.194  -0.534
  300   1HG1  VAL  43          1HG1      VAL  43  11.712  -6.125  -0.362
  301   2HG1  VAL  43          2HG1      VAL  43  11.149  -5.273  -1.801
  302   3HG1  VAL  43          3HG1      VAL  43  10.127  -6.493  -1.041
  303   1HG2  VAL  43          1HG2      VAL  43   9.172  -4.488   1.880
  304   2HG2  VAL  43          2HG2      VAL  43  10.458  -5.695   1.869
  305   3HG2  VAL  43          3HG2      VAL  43   8.937  -6.019   1.036
  306    H    VAL  44           H        VAL  44  10.326  -3.487  -2.098
  307    HA   VAL  44           HA       VAL  44   9.850  -0.648  -2.147
  308    HB   VAL  44           HB       VAL  44  12.236  -0.658  -2.581
  309   1HG1  VAL  44          1HG1      VAL  44  11.613  -2.370  -4.985
  310   2HG1  VAL  44          2HG1      VAL  44  12.376  -2.942  -3.501
  311   3HG1  VAL  44          3HG1      VAL  44  13.196  -1.752  -4.512
  312   1HG2  VAL  44          1HG2      VAL  44  12.238   0.559  -4.712
  313   2HG2  VAL  44          2HG2      VAL  44  10.887   1.038  -3.685
  314   3HG2  VAL  44          3HG2      VAL  44  10.616  -0.043  -5.051
  315    H    SER  45           H        SER  45   8.038  -0.356  -3.195
  316    HA   SER  45           HA       SER  45   6.387  -0.422  -4.746
  317   1HB   SER  45          2HB       SER  45   8.242  -0.019  -6.319
  318   2HB   SER  45          1HB       SER  45   8.458  -1.761  -6.494
  319    HG   SER  45           HG       SER  45   7.157  -1.193  -8.152
  320    H    GLU  46           H        GLU  46   7.297  -3.017  -3.135
  321    HA   GLU  46           HA       GLU  46   5.015  -4.529  -3.656
  322   1HB   GLU  46          2HB       GLU  46   6.133  -4.965  -5.835
  323   2HB   GLU  46          1HB       GLU  46   7.468  -5.710  -4.972
  324   1HG   GLU  46          2HG       GLU  46   5.992  -7.430  -4.117
  325   2HG   GLU  46          1HG       GLU  46   4.616  -6.665  -4.912
  326    H    TYR  47           H        TYR  47   4.876  -6.491  -2.444
  327    HA   TYR  47           HA       TYR  47   6.368  -6.421  -0.024
  328   1HB   TYR  47          2HB       TYR  47   4.024  -7.168  -0.080
  329   2HB   TYR  47          1HB       TYR  47   4.486  -8.549  -1.070
  330    HD1  TYR  47           1HD      TYR  47   5.807  -7.026   2.085
  331    HD2  TYR  47           2HD      TYR  47   4.385 -10.518   0.114
  332    HE1  TYR  47           1HE      TYR  47   6.219  -8.338   4.125
  333    HE2  TYR  47           2HE      TYR  47   4.791 -11.839   2.149
  334    HH   TYR  47           HH       TYR  47   5.468 -10.407   5.167
  Start of MODEL   12
    1   1H    GLY   1          1HT       GLY   1 -12.688  -1.620  12.289
    2   2H    GLY   1          2HT       GLY   1 -13.671  -0.915  11.105
    3   3H    GLY   1          3HT       GLY   1 -12.091  -0.357  11.333
    4   1HA   GLY   1          1HA       GLY   1 -11.200  -2.483  10.604
    5   2HA   GLY   1          2HA       GLY   1 -12.841  -3.063  10.368
    6    H    SER   2           H        SER   2 -10.246  -1.225   9.059
    7    HA   SER   2           HA       SER   2 -11.725  -0.985   6.542
    8   1HB   SER   2          2HB       SER   2 -11.894   1.212   7.610
    9   2HB   SER   2          1HB       SER   2 -10.143   1.266   7.808
   10    HG   SER   2           HG       SER   2 -11.025   2.402   5.931
   11    H    GLY   3           H        GLY   3 -10.544  -1.453   4.763
   12   1HA   GLY   3          2HA       GLY   3  -8.091  -1.100   3.941
   13   2HA   GLY   3          1HA       GLY   3  -7.761  -2.258   5.221
   14    H    GLU   4           H        GLU   4  -7.214  -2.571   2.402
   15    HA   GLU   4           HA       GLU   4  -7.350  -4.169   0.799
   16   1HB   GLU   4          2HB       GLU   4  -7.184  -6.138   1.789
   17   2HB   GLU   4          1HB       GLU   4  -7.898  -5.474   3.248
   18   1HG   GLU   4          2HG       GLU   4 -10.136  -6.064   2.396
   19   2HG   GLU   4          1HG       GLU   4  -9.381  -6.783   0.973
   20    H    VAL   5           H        VAL   5  -9.924  -2.376   1.647
   21    HA   VAL   5           HA       VAL   5 -12.035  -3.649   0.195
   22    HB   VAL   5           HB       VAL   5 -11.780  -0.771   1.025
   23   1HG1  VAL   5          1HG1      VAL   5 -13.588  -1.163  -0.529
   24   2HG1  VAL   5          2HG1      VAL   5 -14.257  -0.863   1.075
   25   3HG1  VAL   5          3HG1      VAL   5 -14.181  -2.508   0.445
   26   1HG2  VAL   5          1HG2      VAL   5 -11.397  -2.147   2.974
   27   2HG2  VAL   5          2HG2      VAL   5 -12.830  -3.111   2.619
   28   3HG2  VAL   5          3HG2      VAL   5 -12.999  -1.418   3.081
   29    H    ASN   6           H        ASN   6  -9.815  -0.984  -0.297
   30    HA   ASN   6           HA       ASN   6  -8.844  -0.140  -2.188
   31   1HB   ASN   6          2HB       ASN   6 -10.735  -1.404  -4.107
   32   2HB   ASN   6          1HB       ASN   6  -9.002  -1.155  -4.219
   33   1HD2  ASN   6          1HD2      ASN   6  -7.802  -2.499  -2.433
   34   2HD2  ASN   6          2HD2      ASN   6  -8.245  -4.166  -2.391
   35    H    LYS   7           H        LYS   7  -9.952   1.637  -1.091
   36    HA   LYS   7           HA       LYS   7 -11.870   2.919  -2.854
   37   1HB   LYS   7          2HB       LYS   7 -13.340   3.324  -0.734
   38   2HB   LYS   7          1HB       LYS   7 -13.453   1.790  -1.591
   39   1HG   LYS   7          2HG       LYS   7 -12.625   0.622   0.111
   40   2HG   LYS   7          1HG       LYS   7 -11.363   1.822   0.487
   41   1HD   LYS   7          2HD       LYS   7 -12.989   1.524   2.332
   42   2HD   LYS   7          1HD       LYS   7 -13.050   3.160   1.680
   43   1HE   LYS   7          2HE       LYS   7 -15.041   2.636   0.427
   44   2HE   LYS   7          1HE       LYS   7 -14.944   0.945   0.914
   45   1HZ   LYS   7          1HZ       LYS   7 -16.572   2.130   2.231
   46   2HZ   LYS   7          2HZ       LYS   7 -15.407   3.252   2.727
   47   3HZ   LYS   7          3HZ       LYS   7 -15.284   1.637   3.213
   48    H    ILE   8           H        ILE   8 -11.987   4.050   0.389
   49    HA   ILE   8           HA       ILE   8 -10.747   6.539  -0.297
   50    HB   ILE   8           HB       ILE   8 -12.778   6.404   1.069
   51   1HG1  ILE   8          2HG1      ILE   8 -11.134   8.310   1.296
   52   2HG1  ILE   8          1HG1      ILE   8 -12.213   8.081   2.665
   53   1HG2  ILE   8          1HG2      ILE   8 -11.416   5.558   3.518
   54   2HG2  ILE   8          2HG2      ILE   8 -11.606   4.298   2.298
   55   3HG2  ILE   8          3HG2      ILE   8 -13.021   5.157   2.909
   56   1HD1  ILE   8          1HD1      ILE   8 -10.178   8.472   3.668
   57   2HD1  ILE   8          2HD1      ILE   8  -9.286   7.551   2.459
   58   3HD1  ILE   8          3HD1      ILE   8 -10.263   6.710   3.662
   59    H    ILE   9           H        ILE   9  -8.566   6.294  -0.489
   60    HA   ILE   9           HA       ILE   9  -7.159   5.816   1.964
   61    HB   ILE   9           HB       ILE   9  -7.641   3.607   0.944
   62   1HG1  ILE   9          2HG1      ILE   9  -5.557   2.656   1.570
   63   2HG1  ILE   9          1HG1      ILE   9  -4.680   4.123   1.180
   64   1HG2  ILE   9          1HG2      ILE   9  -6.014   2.981  -0.923
   65   2HG2  ILE   9          2HG2      ILE   9  -5.943   4.717  -1.210
   66   3HG2  ILE   9          3HG2      ILE   9  -7.480   3.868  -1.309
   67   1HD1  ILE   9          1HD1      ILE   9  -5.242   5.118   3.140
   68   2HD1  ILE   9          2HD1      ILE   9  -5.304   3.429   3.651
   69   3HD1  ILE   9          3HD1      ILE   9  -6.790   4.283   3.244
   70    H    GLY  10           H        GLY  10  -4.626   5.926   1.447
   71   1HA   GLY  10          2HA       GLY  10  -4.249   8.134  -0.447
   72   2HA   GLY  10          1HA       GLY  10  -3.711   8.303   1.218
   73    H    SER  11           H        SER  11  -1.818   8.635  -0.656
   74    HA   SER  11           HA       SER  11  -0.181   6.294  -0.257
   75   1HB   SER  11          2HB       SER  11   0.385   6.290  -2.755
   76   2HB   SER  11          1HB       SER  11  -1.182   5.627  -2.304
   77    HG   SER  11           HG       SER  11  -2.122   7.589  -2.909
   78    H    ARG  12           H        ARG  12   1.410   7.407   0.809
   79    HA   ARG  12           HA       ARG  12   3.240   8.850  -0.853
   80   1HB   ARG  12          2HB       ARG  12   1.665  10.659  -0.287
   81   2HB   ARG  12          1HB       ARG  12   1.936  10.352   1.423
   82   1HG   ARG  12          2HG       ARG  12   4.264  10.995   1.194
   83   2HG   ARG  12          1HG       ARG  12   4.041  11.242  -0.539
   84   1HD   ARG  12          2HD       ARG  12   2.399  13.000  -0.068
   85   2HD   ARG  12          1HD       ARG  12   2.641  12.758   1.662
   86    HE   ARG  12           HE       ARG  12   5.124  13.291   0.489
   87   1HH1  ARG  12          1HH1      ARG  12   2.099  14.887   1.143
   88   2HH1  ARG  12          2HH1      ARG  12   2.805  16.463   1.255
   89   1HH2  ARG  12          1HH2      ARG  12   6.066  15.362   0.633
   90   2HH2  ARG  12          2HH2      ARG  12   5.063  16.735   0.964
   91    H    THR  13           H        THR  13   4.825   7.235  -0.144
   92    HA   THR  13           HA       THR  13   5.357   7.383   2.695
   93    HB   THR  13           HB       THR  13   6.940   5.469   1.205
   94    HG1  THR  13           1HG      THR  13   5.295   4.294   0.467
   95   1HG2  THR  13          1HG2      THR  13   6.017   4.037   3.119
   96   2HG2  THR  13          2HG2      THR  13   5.418   5.566   3.766
   97   3HG2  THR  13          3HG2      THR  13   7.146   5.332   3.507
   98    H    ALA  14           H        ALA  14   7.719   6.783   0.121
   99    HA   ALA  14           HA       ALA  14   9.166   9.178   0.961
  100   1HB   ALA  14          1HB       ALA  14  11.208   7.991   1.563
  101   2HB   ALA  14          2HB       ALA  14  10.383   6.449   1.330
  102   3HB   ALA  14          3HB       ALA  14   9.866   7.541   2.616
  103    H    GLY  15           H        GLY  15   9.652   6.130  -0.839
  104   1HA   GLY  15          2HA       GLY  15   9.727   6.403  -3.322
  105   2HA   GLY  15          1HA       GLY  15  10.778   7.784  -3.034
  106    H    GLU  16           H        GLU  16  12.457   6.810  -1.100
  107    HA   GLU  16           HA       GLU  16  14.352   5.370  -2.572
  108   1HB   GLU  16          2HB       GLU  16  15.065   6.691  -0.701
  109   2HB   GLU  16          1HB       GLU  16  14.009   5.811   0.396
  110   1HG   GLU  16          2HG       GLU  16  15.371   3.811   0.116
  111   2HG   GLU  16          1HG       GLU  16  16.417   4.673  -1.011
  112    H    GLY  17           H        GLY  17  11.766   4.413  -0.458
  113   1HA   GLY  17          2HA       GLY  17  12.224   1.604  -1.214
  114   2HA   GLY  17          1HA       GLY  17  11.835   2.040   0.447
  115    H    ALA  18           H        ALA  18   9.803   3.421   0.655
  116    HA   ALA  18           HA       ALA  18   7.771   2.354  -1.136
  117   1HB   ALA  18          1HB       ALA  18   7.617   1.643   1.283
  118   2HB   ALA  18          2HB       ALA  18   6.149   2.374   0.623
  119   3HB   ALA  18          3HB       ALA  18   7.236   3.325   1.648
  120    H    MET  19           H        MET  19   5.916   3.736  -1.659
  121    HA   MET  19           HA       MET  19   6.223   6.544  -1.052
  122   1HB   MET  19          2HB       MET  19   7.386   5.530  -3.400
  123   2HB   MET  19          1HB       MET  19   5.930   6.369  -3.922
  124   1HG   MET  19          2HG       MET  19   7.939   7.598  -2.083
  125   2HG   MET  19          1HG       MET  19   8.053   7.727  -3.835
  126   1HE   MET  19          1HE       MET  19   6.251   8.985  -5.343
  127   2HE   MET  19          2HE       MET  19   4.759   9.673  -4.698
  128   3HE   MET  19          3HE       MET  19   5.008   7.926  -4.676
  129    H    GLU  20           H        GLU  20   4.118   4.215  -1.066
  130    HA   GLU  20           HA       GLU  20   1.911   5.996  -1.589
  131   1HB   GLU  20          2HB       GLU  20   2.232   3.464  -3.160
  132   2HB   GLU  20          1HB       GLU  20   0.715   4.322  -3.037
  133   1HG   GLU  20          2HG       GLU  20   2.208   6.318  -3.881
  134   2HG   GLU  20          1HG       GLU  20   3.223   4.998  -4.476
  135    H    TYR  21           H        TYR  21  -0.279   4.526  -1.116
  136    HA   TYR  21           HA       TYR  21   0.156   2.523   0.857
  137   1HB   TYR  21          2HB       TYR  21   0.603   4.046   2.406
  138   2HB   TYR  21          1HB       TYR  21  -0.207   5.332   1.572
  139    HD1  TYR  21           1HD      TYR  21  -1.844   6.328   2.705
  140    HD2  TYR  21           2HD      TYR  21  -1.235   2.168   3.402
  141    HE1  TYR  21           1HE      TYR  21  -3.600   6.367   4.399
  142    HE2  TYR  21           2HE      TYR  21  -2.996   2.204   5.116
  143    HH   TYR  21           HH       TYR  21  -4.105   3.816   6.594
  144    H    LEU  22           H        LEU  22  -1.704   3.395  -1.530
  145    HA   LEU  22           HA       LEU  22  -4.194   3.063  -0.272
  146   1HB   LEU  22          2HB       LEU  22  -5.027   3.229  -2.696
  147   2HB   LEU  22          1HB       LEU  22  -4.264   4.626  -1.962
  148    HG   LEU  22           HG       LEU  22  -2.240   4.276  -3.179
  149   1HD1  LEU  22          1HD1      LEU  22  -3.486   1.687  -4.036
  150   2HD1  LEU  22          2HD1      LEU  22  -1.962   1.938  -3.190
  151   3HD1  LEU  22          3HD1      LEU  22  -2.124   2.419  -4.879
  152   1HD2  LEU  22          1HD2      LEU  22  -4.605   3.911  -5.007
  153   2HD2  LEU  22          2HD2      LEU  22  -3.024   4.543  -5.466
  154   3HD2  LEU  22          3HD2      LEU  22  -4.042   5.444  -4.341
  155    H    ILE  23           H        ILE  23  -5.303   1.570   0.155
  156    HA   ILE  23           HA       ILE  23  -5.058  -1.059  -0.178
  157    HB   ILE  23           HB       ILE  23  -7.636   0.473  -0.173
  158   1HG1  ILE  23          2HG1      ILE  23  -6.668  -0.692   2.335
  159   2HG1  ILE  23          1HG1      ILE  23  -5.669   0.626   1.744
  160   1HG2  ILE  23          1HG2      ILE  23  -6.937  -2.351   0.510
  161   2HG2  ILE  23          2HG2      ILE  23  -8.075  -1.769  -0.701
  162   3HG2  ILE  23          3HG2      ILE  23  -8.431  -1.567   1.006
  163   1HD1  ILE  23          1HD1      ILE  23  -8.463   0.637   2.730
  164   2HD1  ILE  23          2HD1      ILE  23  -8.022   1.792   1.475
  165   3HD1  ILE  23          3HD1      ILE  23  -7.156   1.787   3.011
  166    H    GLU  24           H        GLU  24  -6.087   1.258  -2.512
  167    HA   GLU  24           HA       GLU  24  -7.630   0.268  -4.352
  168   1HB   GLU  24          2HB       GLU  24  -6.024   2.263  -4.438
  169   2HB   GLU  24          1HB       GLU  24  -4.899   1.151  -5.208
  170   1HG   GLU  24          2HG       GLU  24  -6.555   0.716  -6.976
  171   2HG   GLU  24          1HG       GLU  24  -7.633   1.890  -6.224
  172    H    TRP  25           H        TRP  25  -4.464  -1.123  -3.697
  173    HA   TRP  25           HA       TRP  25  -4.250  -2.878  -5.834
  174   1HB   TRP  25          2HB       TRP  25  -3.082  -4.368  -3.959
  175   2HB   TRP  25          1HB       TRP  25  -2.340  -2.897  -4.550
  176    HD1  TRP  25           HD       TRP  25  -4.654  -3.909  -1.559
  177    HE1  TRP  25           1HE      TRP  25  -3.878  -2.522   0.477
  178    HE3  TRP  25           3HE      TRP  25  -0.981  -1.097  -3.746
  179    HZ2  TRP  25           2HZ      TRP  25  -2.032  -0.570   1.080
  180    HZ3  TRP  25           3HZ      TRP  25   0.305   0.459  -2.321
  181    HH2  TRP  25           HH       TRP  25  -0.215   0.765   0.017
  182    H    LYS  26           H        LYS  26  -4.270  -5.529  -4.674
  183    HA   LYS  26           HA       LYS  26  -7.174  -5.845  -4.362
  184   1HB   LYS  26          2HB       LYS  26  -6.728  -8.183  -5.332
  185   2HB   LYS  26          1HB       LYS  26  -6.683  -6.815  -6.434
  186   1HG   LYS  26          2HG       LYS  26  -4.146  -7.734  -5.176
  187   2HG   LYS  26          1HG       LYS  26  -4.837  -8.663  -6.507
  188   1HD   LYS  26          2HD       LYS  26  -4.810  -6.703  -7.932
  189   2HD   LYS  26          1HD       LYS  26  -4.226  -5.707  -6.598
  190   1HE   LYS  26          2HE       LYS  26  -2.180  -7.064  -6.502
  191   2HE   LYS  26          1HE       LYS  26  -2.765  -8.023  -7.861
  192   1HZ   LYS  26          1HZ       LYS  26  -2.742  -6.033  -9.230
  193   2HZ   LYS  26          2HZ       LYS  26  -1.207  -6.325  -8.581
  194   3HZ   LYS  26          3HZ       LYS  26  -2.184  -5.111  -7.925
  195    H    ASP  27           H        ASP  27  -6.027  -5.383  -2.074
  196    HA   ASP  27           HA       ASP  27  -5.424  -6.163  -0.011
  197   1HB   ASP  27          2HB       ASP  27  -6.870  -7.948   0.825
  198   2HB   ASP  27          1HB       ASP  27  -7.793  -6.808  -0.149
  199    H    GLY  28           H        GLY  28  -3.715  -7.072  -2.239
  200   1HA   GLY  28          2HA       GLY  28  -2.974  -9.721  -2.152
  201   2HA   GLY  28          1HA       GLY  28  -1.845  -8.406  -2.423
  202    H    HIS  29           H        HIS  29  -1.318  -7.183  -0.234
  203    HA   HIS  29           HA       HIS  29  -1.067  -9.143   1.901
  204   1HB   HIS  29          2HB       HIS  29   1.320  -7.437   1.142
  205   2HB   HIS  29          1HB       HIS  29   1.250  -8.805   2.246
  206    HD1  HIS  29           1HD      HIS  29   0.498 -11.154   0.930
  207    HD2  HIS  29           2HD      HIS  29   2.316  -8.138  -1.273
  208    HE1  HIS  29           1HE      HIS  29   1.384 -12.275  -1.139
  209    HE2  HIS  29           2HE      HIS  29   2.591 -10.454  -2.392
  210    H    SER  30           H        SER  30  -2.513  -8.117   3.110
  211    HA   SER  30           HA       SER  30  -3.436  -6.579   4.507
  212   1HB   SER  30          2HB       SER  30  -1.483  -7.431   5.720
  213   2HB   SER  30          1HB       SER  30  -0.517  -6.100   5.062
  214    HG   SER  30           HG       SER  30  -2.085  -6.107   7.224
  215    HA   PRO  31           HA       PRO  31  -3.852  -2.421   2.324
  216   1HB   PRO  31          2HB       PRO  31  -4.786  -1.734   5.009
  217   2HB   PRO  31          1HB       PRO  31  -5.706  -1.796   3.510
  218   1HG   PRO  31          2HG       PRO  31  -5.439  -3.835   5.619
  219   2HG   PRO  31          1HG       PRO  31  -6.695  -3.658   4.394
  220   1HD   PRO  31          2HD       PRO  31  -4.978  -5.664   4.237
  221   2HD   PRO  31          1HD       PRO  31  -5.430  -4.790   2.756
  222    H    SER  32           H        SER  32  -1.741  -1.901   2.170
  223    HA   SER  32           HA       SER  32  -0.322  -1.228   4.664
  224   1HB   SER  32          2HB       SER  32   0.548  -3.288   3.632
  225   2HB   SER  32          1HB       SER  32   0.859  -2.391   2.139
  226    HG   SER  32           HG       SER  32   2.567  -1.508   3.021
  227    H    TRP  33           H        TRP  33   1.709  -0.036   4.171
  228    HA   TRP  33           HA       TRP  33   1.026   2.208   2.440
  229   1HB   TRP  33          2HB       TRP  33   1.449   2.417   4.987
  230   2HB   TRP  33          1HB       TRP  33   3.152   2.165   4.602
  231    HD1  TRP  33           HD       TRP  33   4.107   3.964   2.706
  232    HE1  TRP  33           1HE      TRP  33   3.666   6.480   2.556
  233    HE3  TRP  33           3HE      TRP  33  -0.105   4.253   5.577
  234    HZ2  TRP  33           2HZ      TRP  33   1.799   8.358   3.487
  235    HZ3  TRP  33           3HZ      TRP  33  -1.169   6.455   5.883
  236    HH2  TRP  33           HH       TRP  33  -0.238   8.464   4.841
  237    H    VAL  34           H        VAL  34   1.813   1.681   0.499
  238    HA   VAL  34           HA       VAL  34   4.679   1.170   0.107
  239    HB   VAL  34           HB       VAL  34   3.595  -1.107   0.366
  240   1HG1  VAL  34          1HG1      VAL  34   1.502   0.255  -0.745
  241   2HG1  VAL  34          2HG1      VAL  34   1.543  -1.459  -0.423
  242   3HG1  VAL  34          3HG1      VAL  34   1.970  -0.851  -2.013
  243   1HG2  VAL  34          1HG2      VAL  34   5.361  -1.051  -1.275
  244   2HG2  VAL  34          2HG2      VAL  34   4.264  -0.403  -2.490
  245   3HG2  VAL  34          3HG2      VAL  34   4.043  -2.038  -1.891
  246    HA   PRO  35           HA       PRO  35   4.295   3.623  -3.594
  247   1HB   PRO  35          2HB       PRO  35   5.670   1.388  -4.952
  248   2HB   PRO  35          1HB       PRO  35   6.076   3.108  -4.933
  249   1HG   PRO  35          2HG       PRO  35   7.448   1.313  -3.527
  250   2HG   PRO  35          1HG       PRO  35   7.132   2.938  -2.883
  251   1HD   PRO  35          2HD       PRO  35   5.946   0.360  -2.194
  252   2HD   PRO  35          1HD       PRO  35   6.163   1.738  -1.165
  253    H    SER  36           H        SER  36   2.961   0.430  -3.571
  254    HA   SER  36           HA       SER  36   0.897   0.973  -5.307
  255   1HB   SER  36          2HB       SER  36   1.632  -0.314  -7.365
  256   2HB   SER  36          1HB       SER  36   2.382   1.264  -7.142
  257    HG   SER  36           HG       SER  36   4.240   0.275  -6.455
  258    H    SER  37           H        SER  37   2.919  -1.436  -3.795
  259    HA   SER  37           HA       SER  37   0.748  -3.362  -4.166
  260   1HB   SER  37          2HB       SER  37   3.670  -3.619  -4.216
  261   2HB   SER  37          1HB       SER  37   2.843  -4.865  -3.289
  262    HG   SER  37           HG       SER  37   1.554  -5.265  -5.148
  263    H    TYR  38           H        TYR  38   3.276  -3.777  -1.767
  264    HA   TYR  38           HA       TYR  38   2.061  -2.752   0.546
  265   1HB   TYR  38          2HB       TYR  38   1.707  -5.541   1.011
  266   2HB   TYR  38          1HB       TYR  38   0.539  -4.249   1.218
  267    HD1  TYR  38           1HD      TYR  38  -1.372  -4.375   0.064
  268    HD2  TYR  38           2HD      TYR  38   2.072  -6.277  -1.519
  269    HE1  TYR  38           1HE      TYR  38  -2.742  -5.289  -1.782
  270    HE2  TYR  38           2HE      TYR  38   0.730  -7.199  -3.377
  271    HH   TYR  38           HH       TYR  38  -2.479  -6.161  -4.015
  272    H    ILE  39           H        ILE  39   3.719  -2.592   1.883
  273    HA   ILE  39           HA       ILE  39   5.680  -4.746   1.915
  274    HB   ILE  39           HB       ILE  39   7.518  -3.438   1.309
  275   1HG1  ILE  39          2HG1      ILE  39   5.712  -1.011   1.500
  276   2HG1  ILE  39          1HG1      ILE  39   7.077  -1.380   2.548
  277   1HG2  ILE  39          1HG2      ILE  39   6.831  -2.478  -0.892
  278   2HG2  ILE  39          2HG2      ILE  39   5.161  -2.743  -0.401
  279   3HG2  ILE  39          3HG2      ILE  39   6.244  -4.111  -0.583
  280   1HD1  ILE  39          1HD1      ILE  39   8.051  -1.366  -0.091
  281   2HD1  ILE  39          2HD1      ILE  39   8.384  -0.220   1.208
  282   3HD1  ILE  39          3HD1      ILE  39   7.038   0.064   0.104
  283    H    ALA  40           H        ALA  40   3.748  -3.786   3.760
  284    HA   ALA  40           HA       ALA  40   4.855  -2.072   5.685
  285   1HB   ALA  40          1HB       ALA  40   2.494  -3.399   5.266
  286   2HB   ALA  40          2HB       ALA  40   2.878  -2.359   6.638
  287   3HB   ALA  40          3HB       ALA  40   3.104  -4.105   6.764
  288    H    ALA  41           H        ALA  41   6.955  -2.593   6.045
  289    HA   ALA  41           HA       ALA  41   7.739  -4.018   8.193
  290   1HB   ALA  41          1HB       ALA  41   8.786  -6.091   7.155
  291   2HB   ALA  41          2HB       ALA  41   7.733  -5.807   5.769
  292   3HB   ALA  41          3HB       ALA  41   7.036  -6.118   7.359
  293    H    ASP  42           H        ASP  42   8.854  -4.080   4.804
  294    HA   ASP  42           HA       ASP  42  10.639  -2.035   4.787
  295   1HB   ASP  42          2HB       ASP  42  11.862  -2.901   6.665
  296   2HB   ASP  42          1HB       ASP  42  11.940  -4.508   5.952
  297    H    VAL  43           H        VAL  43   9.750  -2.288   2.623
  298    HA   VAL  43           HA       VAL  43  11.562  -3.854   0.957
  299    HB   VAL  43           HB       VAL  43   8.758  -4.097   0.050
  300   1HG1  VAL  43          1HG1      VAL  43  11.328  -5.434  -0.259
  301   2HG1  VAL  43          2HG1      VAL  43   9.963  -5.329  -1.370
  302   3HG1  VAL  43          3HG1      VAL  43   9.973  -6.547  -0.096
  303   1HG2  VAL  43          1HG2      VAL  43   8.544  -4.599   2.472
  304   2HG2  VAL  43          2HG2      VAL  43   9.777  -5.846   2.292
  305   3HG2  VAL  43          3HG2      VAL  43   8.235  -6.002   1.450
  306    H    VAL  44           H        VAL  44  10.050  -3.405  -1.499
  307    HA   VAL  44           HA       VAL  44   9.781  -0.506  -1.570
  308    HB   VAL  44           HB       VAL  44  11.390  -0.159  -3.319
  309   1HG1  VAL  44          1HG1      VAL  44  12.820  -1.828  -1.276
  310   2HG1  VAL  44          2HG1      VAL  44  12.074  -0.288  -0.856
  311   3HG1  VAL  44          3HG1      VAL  44  13.358  -0.345  -2.065
  312   1HG2  VAL  44          1HG2      VAL  44  11.367  -2.094  -4.628
  313   2HG2  VAL  44          2HG2      VAL  44  11.671  -3.145  -3.245
  314   3HG2  VAL  44          3HG2      VAL  44  12.960  -2.119  -3.870
  315    H    SER  45           H        SER  45   7.846  -0.254  -2.445
  316    HA   SER  45           HA       SER  45   6.093  -0.329  -3.906
  317   1HB   SER  45          2HB       SER  45   7.751   0.630  -5.415
  318   2HB   SER  45          1HB       SER  45   8.302  -0.986  -5.862
  319    HG   SER  45           HG       SER  45   6.805  -0.076  -7.368
  320    H    GLU  46           H        GLU  46   7.193  -2.993  -2.698
  321    HA   GLU  46           HA       GLU  46   5.187  -4.661  -3.662
  322   1HB   GLU  46          2HB       GLU  46   7.216  -4.374  -5.519
  323   2HB   GLU  46          1HB       GLU  46   7.589  -5.911  -4.738
  324   1HG   GLU  46          2HG       GLU  46   5.293  -6.679  -5.220
  325   2HG   GLU  46          1HG       GLU  46   4.994  -5.167  -6.075
  326    H    TYR  47           H        TYR  47   4.902  -6.292  -2.243
  327    HA   TYR  47           HA       TYR  47   6.515  -6.547   0.031
  328   1HB   TYR  47          2HB       TYR  47   4.165  -7.249   0.028
  329   2HB   TYR  47          1HB       TYR  47   4.540  -8.541  -1.108
  330    HD1  TYR  47           1HD      TYR  47   5.257  -7.318   2.328
  331    HD2  TYR  47           2HD      TYR  47   5.238 -10.636  -0.335
  332    HE1  TYR  47           1HE      TYR  47   5.728  -8.826   4.213
  333    HE2  TYR  47           2HE      TYR  47   5.710 -12.154   1.543
  334    HH   TYR  47           HH       TYR  47   6.709 -12.039   3.796
  Start of MODEL   13
    1   1H    GLY   1          1HT       GLY   1 -12.672  -4.196   9.480
    2   2H    GLY   1          2HT       GLY   1 -12.432  -4.101   7.808
    3   3H    GLY   1          3HT       GLY   1 -13.944  -3.728   8.466
    4   1HA   GLY   1          1HA       GLY   1 -12.783  -1.709   7.861
    5   2HA   GLY   1          2HA       GLY   1 -13.026  -1.809   9.597
    6    H    SER   2           H        SER   2 -10.626  -3.205   7.361
    7    HA   SER   2           HA       SER   2  -8.528  -1.972   9.023
    8   1HB   SER   2          2HB       SER   2  -8.579  -4.391   9.390
    9   2HB   SER   2          1HB       SER   2  -8.452  -4.673   7.655
   10    HG   SER   2           HG       SER   2  -6.451  -4.732   9.022
   11    H    GLY   3           H        GLY   3  -9.160  -3.365   5.801
   12   1HA   GLY   3          2HA       GLY   3  -8.353  -1.119   4.356
   13   2HA   GLY   3          1HA       GLY   3  -6.940  -2.143   4.549
   14    H    GLU   4           H        GLU   4  -6.824  -2.516   2.321
   15    HA   GLU   4           HA       GLU   4  -7.310  -3.458   0.310
   16   1HB   GLU   4          2HB       GLU   4  -7.839  -5.840   0.417
   17   2HB   GLU   4          1HB       GLU   4  -6.587  -5.403   1.567
   18   1HG   GLU   4          2HG       GLU   4  -8.037  -6.952   2.624
   19   2HG   GLU   4          1HG       GLU   4  -8.331  -5.381   3.349
   20    H    VAL   5           H        VAL   5  -9.482  -1.855   1.504
   21    HA   VAL   5           HA       VAL   5 -11.963  -3.074   0.762
   22    HB   VAL   5           HB       VAL   5 -11.348  -0.170   1.303
   23   1HG1  VAL   5          1HG1      VAL   5 -13.484  -0.384   0.276
   24   2HG1  VAL   5          2HG1      VAL   5 -13.773  -0.166   2.002
   25   3HG1  VAL   5          3HG1      VAL   5 -13.907  -1.770   1.281
   26   1HG2  VAL   5          1HG2      VAL   5 -12.154  -2.365   3.221
   27   2HG2  VAL   5          2HG2      VAL   5 -12.082  -0.648   3.616
   28   3HG2  VAL   5          3HG2      VAL   5 -10.609  -1.514   3.180
   29    H    ASN   6           H        ASN   6  -9.501  -1.554  -1.014
   30    HA   ASN   6           HA       ASN   6  -9.408  -0.407  -3.031
   31   1HB   ASN   6          2HB       ASN   6  -9.950  -2.870  -3.538
   32   2HB   ASN   6          1HB       ASN   6 -11.599  -2.332  -3.833
   33   1HD2  ASN   6          1HD2      ASN   6  -8.311  -2.238  -4.943
   34   2HD2  ASN   6          2HD2      ASN   6  -8.645  -1.602  -6.514
   35    H    LYS   7           H        LYS   7 -10.232   1.516  -2.252
   36    HA   LYS   7           HA       LYS   7 -12.731   2.333  -3.427
   37   1HB   LYS   7          2HB       LYS   7 -13.578   3.220  -1.279
   38   2HB   LYS   7          1HB       LYS   7 -13.381   1.475  -1.224
   39   1HG   LYS   7          2HG       LYS   7 -11.251   1.739  -0.026
   40   2HG   LYS   7          1HG       LYS   7 -11.450   3.493  -0.084
   41   1HD   LYS   7          2HD       LYS   7 -13.456   3.359   1.258
   42   2HD   LYS   7          1HD       LYS   7 -13.383   1.597   1.244
   43   1HE   LYS   7          2HE       LYS   7 -11.271   1.664   2.459
   44   2HE   LYS   7          1HE       LYS   7 -11.304   3.426   2.441
   45   1HZ   LYS   7          1HZ       LYS   7 -13.309   3.378   3.772
   46   2HZ   LYS   7          2HZ       LYS   7 -12.076   2.524   4.552
   47   3HZ   LYS   7          3HZ       LYS   7 -13.316   1.687   3.765
   48    H    ILE   8           H        ILE   8 -12.353   4.675  -1.317
   49    HA   ILE   8           HA       ILE   8 -10.512   6.199  -2.971
   50    HB   ILE   8           HB       ILE   8 -12.775   6.970  -2.425
   51   1HG1  ILE   8          2HG1      ILE   8 -10.943   8.545  -3.041
   52   2HG1  ILE   8          1HG1      ILE   8 -12.189   9.285  -2.042
   53   1HG2  ILE   8          1HG2      ILE   8 -13.539   7.450  -0.319
   54   2HG2  ILE   8          2HG2      ILE   8 -11.913   7.708   0.315
   55   3HG2  ILE   8          3HG2      ILE   8 -12.486   6.067   0.009
   56   1HD1  ILE   8          1HD1      ILE   8 -10.651   8.785  -0.069
   57   2HD1  ILE   8          2HD1      ILE   8 -10.178  10.074  -1.175
   58   3HD1  ILE   8          3HD1      ILE   8  -9.403   8.494  -1.281
   59    H    ILE   9           H        ILE   9  -8.424   6.142  -2.309
   60    HA   ILE   9           HA       ILE   9  -7.924   6.781   0.464
   61    HB   ILE   9           HB       ILE   9  -8.113   4.225  -0.401
   62   1HG1  ILE   9          2HG1      ILE   9  -8.129   5.217   1.923
   63   2HG1  ILE   9          1HG1      ILE   9  -7.429   3.613   1.775
   64   1HG2  ILE   9          1HG2      ILE   9  -5.170   4.447   0.032
   65   2HG2  ILE   9          2HG2      ILE   9  -5.838   4.730  -1.576
   66   3HG2  ILE   9          3HG2      ILE   9  -6.112   3.208  -0.773
   67   1HD1  ILE   9          1HD1      ILE   9  -5.890   4.574   3.126
   68   2HD1  ILE   9          2HD1      ILE   9  -6.163   6.189   2.476
   69   3HD1  ILE   9          3HD1      ILE   9  -5.198   5.025   1.568
   70    H    GLY  10           H        GLY  10  -5.507   7.006   0.854
   71   1HA   GLY  10          2HA       GLY  10  -4.369   8.552  -1.364
   72   2HA   GLY  10          1HA       GLY  10  -4.040   8.834   0.339
   73    H    SER  11           H        SER  11  -1.931   8.703  -1.277
   74    HA   SER  11           HA       SER  11  -0.535   6.366  -0.404
   75   1HB   SER  11          2HB       SER  11   0.262   6.090  -2.924
   76   2HB   SER  11          1HB       SER  11  -1.156   5.242  -2.306
   77    HG   SER  11           HG       SER  11  -2.423   6.962  -3.152
   78    H    ARG  12           H        ARG  12   1.029   7.471   0.619
   79    HA   ARG  12           HA       ARG  12   2.988   8.812  -1.033
   80   1HB   ARG  12          2HB       ARG  12   1.241  10.563  -0.411
   81   2HB   ARG  12          1HB       ARG  12   1.796  10.386   1.247
   82   1HG   ARG  12          2HG       ARG  12   3.563  11.181  -1.057
   83   2HG   ARG  12          1HG       ARG  12   2.783  12.316   0.045
   84   1HD   ARG  12          2HD       ARG  12   3.954  11.091   1.924
   85   2HD   ARG  12          1HD       ARG  12   4.890  10.263   0.680
   86    HE   ARG  12           HE       ARG  12   5.142  12.947   0.133
   87   1HH1  ARG  12          1HH1      ARG  12   5.853  10.842   2.813
   88   2HH1  ARG  12          2HH1      ARG  12   7.196  11.784   3.366
   89   1HH2  ARG  12          1HH2      ARG  12   6.911  14.198   0.852
   90   2HH2  ARG  12          2HH2      ARG  12   7.798  13.693   2.251
   91    H    THR  13           H        THR  13   4.659   7.446  -0.314
   92    HA   THR  13           HA       THR  13   4.980   7.395   2.604
   93    HB   THR  13           HB       THR  13   6.538   5.431   1.097
   94    HG1  THR  13           1HG      THR  13   4.691   4.070   0.913
   95   1HG2  THR  13          1HG2      THR  13   5.655   4.016   3.001
   96   2HG2  THR  13          2HG2      THR  13   4.975   5.510   3.648
   97   3HG2  THR  13          3HG2      THR  13   6.717   5.353   3.437
   98    H    ALA  14           H        ALA  14   7.483   6.723   0.154
   99    HA   ALA  14           HA       ALA  14   8.944   9.080   1.036
  100   1HB   ALA  14          1HB       ALA  14   9.523   7.364   2.694
  101   2HB   ALA  14          2HB       ALA  14  10.915   7.872   1.738
  102   3HB   ALA  14          3HB       ALA  14  10.124   6.333   1.396
  103    H    GLY  15           H        GLY  15   9.436   6.021  -0.758
  104   1HA   GLY  15          2HA       GLY  15   9.550   6.269  -3.232
  105   2HA   GLY  15          1HA       GLY  15  10.568   7.673  -2.944
  106    H    GLU  16           H        GLU  16  12.192   6.618  -0.904
  107    HA   GLU  16           HA       GLU  16  14.191   5.350  -2.395
  108   1HB   GLU  16          2HB       GLU  16  14.743   6.582  -0.397
  109   2HB   GLU  16          1HB       GLU  16  13.756   5.514   0.592
  110   1HG   GLU  16          2HG       GLU  16  15.281   3.663   0.107
  111   2HG   GLU  16          1HG       GLU  16  16.270   4.742  -0.878
  112    H    GLY  17           H        GLY  17  11.460   4.099  -0.690
  113   1HA   GLY  17          2HA       GLY  17  12.089   1.421  -1.648
  114   2HA   GLY  17          1HA       GLY  17  11.873   1.612   0.086
  115    H    ALA  18           H        ALA  18   9.821   3.452   0.184
  116    HA   ALA  18           HA       ALA  18   7.656   2.200  -1.301
  117   1HB   ALA  18          1HB       ALA  18   6.204   2.278   0.720
  118   2HB   ALA  18          2HB       ALA  18   7.630   2.720   1.662
  119   3HB   ALA  18          3HB       ALA  18   7.549   1.139   0.868
  120    H    MET  19           H        MET  19   5.755   3.593  -1.593
  121    HA   MET  19           HA       MET  19   5.949   6.307  -0.780
  122   1HB   MET  19          2HB       MET  19   7.536   5.763  -2.894
  123   2HB   MET  19          1HB       MET  19   6.052   6.216  -3.723
  124   1HG   MET  19          2HG       MET  19   6.015   8.330  -2.545
  125   2HG   MET  19          1HG       MET  19   7.463   7.870  -1.657
  126   1HE   MET  19          1HE       MET  19   8.600  10.736  -4.150
  127   2HE   MET  19          2HE       MET  19   8.575  10.240  -2.459
  128   3HE   MET  19          3HE       MET  19   7.062  10.574  -3.302
  129    H    GLU  20           H        GLU  20   3.880   4.218  -0.835
  130    HA   GLU  20           HA       GLU  20   1.764   5.920  -1.769
  131   1HB   GLU  20          2HB       GLU  20   2.020   3.149  -2.873
  132   2HB   GLU  20          1HB       GLU  20   0.629   4.180  -3.086
  133   1HG   GLU  20          2HG       GLU  20   2.201   5.832  -4.178
  134   2HG   GLU  20          1HG       GLU  20   3.411   4.538  -4.174
  135    H    TYR  21           H        TYR  21  -0.401   3.787  -1.318
  136    HA   TYR  21           HA       TYR  21   0.333   3.082   1.340
  137   1HB   TYR  21          2HB       TYR  21   0.005   5.043   2.012
  138   2HB   TYR  21          1HB       TYR  21  -1.189   5.442   0.841
  139    HD1  TYR  21           1HD      TYR  21  -2.718   6.643   2.439
  140    HD2  TYR  21           2HD      TYR  21  -1.433   2.615   3.070
  141    HE1  TYR  21           1HE      TYR  21  -4.478   6.323   4.132
  142    HE2  TYR  21           2HE      TYR  21  -3.154   2.313   4.761
  143    HH   TYR  21           HH       TYR  21  -5.733   4.488   5.186
  144    H    LEU  22           H        LEU  22  -2.889   3.728   0.311
  145    HA   LEU  22           HA       LEU  22  -3.460   1.035   1.309
  146   1HB   LEU  22          2HB       LEU  22  -4.397   3.360   2.345
  147   2HB   LEU  22          1HB       LEU  22  -5.718   2.860   1.316
  148    HG   LEU  22           HG       LEU  22  -5.986   0.796   2.493
  149   1HD1  LEU  22          1HD1      LEU  22  -4.301   0.863   4.680
  150   2HD1  LEU  22          2HD1      LEU  22  -3.262   1.314   3.329
  151   3HD1  LEU  22          3HD1      LEU  22  -4.162  -0.201   3.281
  152   1HD2  LEU  22          1HD2      LEU  22  -6.720   1.559   4.591
  153   2HD2  LEU  22          2HD2      LEU  22  -6.881   2.936   3.501
  154   3HD2  LEU  22          3HD2      LEU  22  -5.528   2.854   4.625
  155    H    ILE  23           H        ILE  23  -5.492   0.167   0.778
  156    HA   ILE  23           HA       ILE  23  -6.195  -1.251  -0.891
  157    HB   ILE  23           HB       ILE  23  -8.313  -0.299  -1.644
  158   1HG1  ILE  23          2HG1      ILE  23  -8.996   1.936  -0.953
  159   2HG1  ILE  23          1HG1      ILE  23  -7.403   2.237  -0.320
  160   1HG2  ILE  23          1HG2      ILE  23  -7.685   0.477   1.178
  161   2HG2  ILE  23          2HG2      ILE  23  -7.900  -1.188   0.641
  162   3HG2  ILE  23          3HG2      ILE  23  -9.244  -0.041   0.530
  163   1HD1  ILE  23          1HD1      ILE  23  -7.863   3.340  -2.486
  164   2HD1  ILE  23          2HD1      ILE  23  -8.003   1.748  -3.225
  165   3HD1  ILE  23          3HD1      ILE  23  -6.468   2.267  -2.528
  166    H    GLU  24           H        GLU  24  -7.559  -0.126  -3.332
  167    HA   GLU  24           HA       GLU  24  -7.045   0.111  -5.530
  168   1HB   GLU  24          2HB       GLU  24  -5.734   2.125  -4.318
  169   2HB   GLU  24          1HB       GLU  24  -4.345   1.221  -4.907
  170   1HG   GLU  24          2HG       GLU  24  -6.617   2.209  -6.618
  171   2HG   GLU  24          1HG       GLU  24  -5.051   3.001  -6.444
  172    H    TRP  25           H        TRP  25  -5.995  -2.143  -3.669
  173    HA   TRP  25           HA       TRP  25  -4.513  -3.505  -5.726
  174   1HB   TRP  25          2HB       TRP  25  -2.734  -4.199  -4.045
  175   2HB   TRP  25          1HB       TRP  25  -2.628  -2.570  -4.690
  176    HD1  TRP  25           HD       TRP  25  -4.867  -3.633  -1.689
  177    HE1  TRP  25           1HE      TRP  25  -4.044  -2.307   0.396
  178    HE3  TRP  25           3HE      TRP  25  -0.830  -1.228  -3.702
  179    HZ2  TRP  25           2HZ      TRP  25  -2.021  -0.632   1.064
  180    HZ3  TRP  25           3HZ      TRP  25   0.522   0.225  -2.212
  181    HH2  TRP  25           HH       TRP  25  -0.079   0.592   0.088
  182    H    LYS  26           H        LYS  26  -7.054  -3.719  -4.404
  183    HA   LYS  26           HA       LYS  26  -8.324  -5.154  -3.072
  184   1HB   LYS  26          2HB       LYS  26  -8.814  -7.099  -4.529
  185   2HB   LYS  26          1HB       LYS  26  -8.816  -5.553  -5.367
  186   1HG   LYS  26          2HG       LYS  26  -6.532  -6.026  -6.176
  187   2HG   LYS  26          1HG       LYS  26  -6.622  -7.614  -5.409
  188   1HD   LYS  26          2HD       LYS  26  -8.446  -6.585  -7.582
  189   2HD   LYS  26          1HD       LYS  26  -7.144  -7.756  -7.791
  190   1HE   LYS  26          2HE       LYS  26  -8.295  -9.281  -6.240
  191   2HE   LYS  26          1HE       LYS  26  -9.610  -8.115  -6.090
  192   1HZ   LYS  26          1HZ       LYS  26 -10.156  -9.840  -7.680
  193   2HZ   LYS  26          2HZ       LYS  26  -8.779  -9.480  -8.595
  194   3HZ   LYS  26          3HZ       LYS  26 -10.027  -8.347  -8.466
  195    H    ASP  27           H        ASP  27  -6.773  -5.434  -1.226
  196    HA   ASP  27           HA       ASP  27  -5.592  -6.756   0.231
  197   1HB   ASP  27          2HB       ASP  27  -6.747  -9.116   0.383
  198   2HB   ASP  27          1HB       ASP  27  -7.602  -7.672   0.891
  199    H    GLY  28           H        GLY  28  -3.733  -6.741  -1.482
  200   1HA   GLY  28          2HA       GLY  28  -3.276  -9.396  -2.602
  201   2HA   GLY  28          1HA       GLY  28  -2.223  -8.007  -2.786
  202    H    HIS  29           H        HIS  29  -1.381  -7.207  -0.492
  203    HA   HIS  29           HA       HIS  29  -0.749  -9.542   1.156
  204   1HB   HIS  29          2HB       HIS  29   1.218  -9.150  -0.301
  205   2HB   HIS  29          1HB       HIS  29   1.349  -7.494   0.294
  206    HD1  HIS  29           1HD      HIS  29   2.771  -7.160   2.289
  207    HD2  HIS  29           2HD      HIS  29   1.628 -11.130   1.846
  208    HE1  HIS  29           1HE      HIS  29   4.027  -8.422   4.063
  209    HE2  HIS  29           2HE      HIS  29   3.251 -10.807   3.835
  210    H    SER  30           H        SER  30  -2.111  -8.913   2.764
  211    HA   SER  30           HA       SER  30  -3.004  -7.617   4.462
  212   1HB   SER  30          2HB       SER  30  -0.856  -8.590   5.312
  213   2HB   SER  30          1HB       SER  30  -0.072  -7.056   4.892
  214    HG   SER  30           HG       SER  30  -2.340  -7.181   6.586
  215    HA   PRO  31           HA       PRO  31  -3.480  -3.414   2.441
  216   1HB   PRO  31          2HB       PRO  31  -4.729  -3.170   5.134
  217   2HB   PRO  31          1HB       PRO  31  -5.369  -2.711   3.558
  218   1HG   PRO  31          2HG       PRO  31  -5.888  -5.110   5.002
  219   2HG   PRO  31          1HG       PRO  31  -6.436  -4.699   3.372
  220   1HD   PRO  31          2HD       PRO  31  -4.669  -6.748   3.974
  221   2HD   PRO  31          1HD       PRO  31  -4.811  -5.966   2.382
  222    H    SER  32           H        SER  32  -1.567  -2.405   2.508
  223    HA   SER  32           HA       SER  32  -0.355  -1.856   5.151
  224   1HB   SER  32          2HB       SER  32   0.763  -3.633   3.711
  225   2HB   SER  32          1HB       SER  32   1.143  -2.339   2.561
  226    HG   SER  32           HG       SER  32   2.886  -2.343   3.823
  227    H    TRP  33           H        TRP  33   1.857  -0.425   3.910
  228    HA   TRP  33           HA       TRP  33   0.626   1.824   2.508
  229   1HB   TRP  33          2HB       TRP  33   0.910   2.371   4.969
  230   2HB   TRP  33          1HB       TRP  33   2.639   2.103   4.773
  231    HD1  TRP  33           HD       TRP  33   3.744   3.767   2.723
  232    HE1  TRP  33           1HE      TRP  33   3.297   6.272   2.355
  233    HE3  TRP  33           3HE      TRP  33  -0.606   4.221   5.374
  234    HZ2  TRP  33           2HZ      TRP  33   1.352   8.188   3.086
  235    HZ3  TRP  33           3HZ      TRP  33  -1.693   6.429   5.480
  236    HH2  TRP  33           HH       TRP  33  -0.732   8.369   4.338
  237    H    VAL  34           H        VAL  34   1.553   1.209   0.581
  238    HA   VAL  34           HA       VAL  34   4.411   1.472   0.291
  239    HB   VAL  34           HB       VAL  34   3.082  -1.158   0.416
  240   1HG1  VAL  34          1HG1      VAL  34   5.413  -1.325  -1.340
  241   2HG1  VAL  34          2HG1      VAL  34   3.942  -0.756  -2.104
  242   3HG1  VAL  34          3HG1      VAL  34   3.962  -2.281  -1.283
  243   1HG2  VAL  34          1HG2      VAL  34   5.409  -1.765   1.105
  244   2HG2  VAL  34          2HG2      VAL  34   4.644  -0.530   2.072
  245   3HG2  VAL  34          3HG2      VAL  34   5.847  -0.084   0.866
  246    HA   PRO  35           HA       PRO  35   3.535   2.777  -3.792
  247   1HB   PRO  35          2HB       PRO  35   5.520   1.078  -5.014
  248   2HB   PRO  35          1HB       PRO  35   5.441   2.837  -4.888
  249   1HG   PRO  35          2HG       PRO  35   7.175   1.259  -3.512
  250   2HG   PRO  35          1HG       PRO  35   6.660   2.864  -2.998
  251   1HD   PRO  35          2HD       PRO  35   5.883   0.230  -1.989
  252   2HD   PRO  35          1HD       PRO  35   5.873   1.755  -1.141
  253    H    SER  36           H        SER  36   1.458   1.541  -3.760
  254    HA   SER  36           HA       SER  36  -0.076   0.446  -5.046
  255   1HB   SER  36          2HB       SER  36   0.953   1.467  -6.982
  256   2HB   SER  36          1HB       SER  36   2.248   0.267  -6.977
  257    HG   SER  36           HG       SER  36   0.846  -0.503  -8.441
  258    H    SER  37           H        SER  37   1.718  -0.911  -3.144
  259    HA   SER  37           HA       SER  37   0.915  -3.577  -3.878
  260   1HB   SER  37          2HB       SER  37   3.266  -3.169  -4.804
  261   2HB   SER  37          1HB       SER  37   3.796  -3.172  -3.122
  262    HG   SER  37           HG       SER  37   2.294  -5.270  -4.287
  263    H    TYR  38           H        TYR  38   3.229  -4.041  -1.555
  264    HA   TYR  38           HA       TYR  38   2.074  -3.015   0.777
  265   1HB   TYR  38          2HB       TYR  38   1.433  -5.754   1.090
  266   2HB   TYR  38          1HB       TYR  38   0.359  -4.374   1.235
  267    HD1  TYR  38           1HD      TYR  38  -1.514  -4.372  -0.128
  268    HD2  TYR  38           2HD      TYR  38   2.009  -6.352  -1.444
  269    HE1  TYR  38           1HE      TYR  38  -2.659  -5.008  -2.214
  270    HE2  TYR  38           2HE      TYR  38   0.872  -7.015  -3.525
  271    HH   TYR  38           HH       TYR  38  -1.683  -5.653  -4.735
  272    H    ILE  39           H        ILE  39   3.963  -2.831   1.591
  273    HA   ILE  39           HA       ILE  39   5.463  -5.070   2.370
  274    HB   ILE  39           HB       ILE  39   6.550  -5.283   0.420
  275   1HG1  ILE  39          2HG1      ILE  39   8.115  -4.173   2.322
  276   2HG1  ILE  39          1HG1      ILE  39   8.720  -4.775   0.787
  277   1HG2  ILE  39          1HG2      ILE  39   5.182  -3.437  -0.575
  278   2HG2  ILE  39          2HG2      ILE  39   6.765  -3.730  -1.298
  279   3HG2  ILE  39          3HG2      ILE  39   6.537  -2.367  -0.206
  280   1HD1  ILE  39          1HD1      ILE  39   9.143  -2.686  -0.010
  281   2HD1  ILE  39          2HD1      ILE  39   9.370  -2.399   1.712
  282   3HD1  ILE  39          3HD1      ILE  39   7.858  -1.938   0.930
  283    H    ALA  40           H        ALA  40   4.615  -3.986   4.156
  284    HA   ALA  40           HA       ALA  40   5.391  -1.425   4.921
  285   1HB   ALA  40          1HB       ALA  40   4.832  -3.785   6.679
  286   2HB   ALA  40          2HB       ALA  40   3.623  -2.716   5.972
  287   3HB   ALA  40          3HB       ALA  40   4.773  -2.089   7.155
  288    H    ALA  41           H        ALA  41   7.478  -1.067   4.462
  289    HA   ALA  41           HA       ALA  41   9.383  -1.696   6.487
  290   1HB   ALA  41          1HB       ALA  41  11.013  -2.859   5.096
  291   2HB   ALA  41          2HB       ALA  41   9.878  -2.853   3.746
  292   3HB   ALA  41          3HB       ALA  41   9.511  -3.775   5.203
  293    H    ASP  42           H        ASP  42   8.714  -0.401   3.281
  294    HA   ASP  42           HA       ASP  42   9.163   1.667   2.423
  295   1HB   ASP  42          2HB       ASP  42   9.304   2.472   4.830
  296   2HB   ASP  42          1HB       ASP  42  11.038   2.179   4.739
  297    H    VAL  43           H        VAL  43  10.593  -0.834   1.988
  298    HA   VAL  43           HA       VAL  43  13.089   0.334   0.930
  299    HB   VAL  43           HB       VAL  43  13.643  -1.099   2.812
  300   1HG1  VAL  43          1HG1      VAL  43  12.835  -3.589   1.463
  301   2HG1  VAL  43          2HG1      VAL  43  11.526  -2.619   2.134
  302   3HG1  VAL  43          3HG1      VAL  43  12.837  -3.172   3.176
  303   1HG2  VAL  43          1HG2      VAL  43  15.081  -0.969   0.740
  304   2HG2  VAL  43          2HG2      VAL  43  14.409  -2.535   0.281
  305   3HG2  VAL  43          3HG2      VAL  43  15.341  -2.376   1.771
  306    H    VAL  44           H        VAL  44  10.194  -1.046   0.046
  307    HA   VAL  44           HA       VAL  44  11.121  -1.483  -2.646
  308    HB   VAL  44           HB       VAL  44   9.729  -3.842  -1.399
  309   1HG1  VAL  44          1HG1      VAL  44   9.620  -3.615  -3.820
  310   2HG1  VAL  44          2HG1      VAL  44  10.594  -5.010  -3.356
  311   3HG1  VAL  44          3HG1      VAL  44  11.380  -3.529  -3.900
  312   1HG2  VAL  44          1HG2      VAL  44  12.710  -3.500  -1.722
  313   2HG2  VAL  44          2HG2      VAL  44  11.882  -4.979  -1.238
  314   3HG2  VAL  44          3HG2      VAL  44  11.834  -3.561  -0.192
  315    H    SER  45           H        SER  45   9.466  -1.681  -4.175
  316    HA   SER  45           HA       SER  45   6.923  -0.502  -3.338
  317   1HB   SER  45          2HB       SER  45   6.602  -0.271  -5.838
  318   2HB   SER  45          1HB       SER  45   7.969   0.620  -5.170
  319    HG   SER  45           HG       SER  45   8.262  -0.748  -7.161
  320    H    GLU  46           H        GLU  46   7.694  -3.443  -2.991
  321    HA   GLU  46           HA       GLU  46   5.180  -4.532  -3.524
  322   1HB   GLU  46          2HB       GLU  46   6.329  -4.217  -5.868
  323   2HB   GLU  46          1HB       GLU  46   7.140  -5.718  -5.434
  324   1HG   GLU  46          2HG       GLU  46   4.932  -6.777  -5.106
  325   2HG   GLU  46          1HG       GLU  46   4.169  -5.285  -5.652
  326    H    TYR  47           H        TYR  47   4.883  -6.479  -2.564
  327    HA   TYR  47           HA       TYR  47   7.232  -7.632  -1.232
  328   1HB   TYR  47          2HB       TYR  47   5.551  -6.943   0.337
  329   2HB   TYR  47          1HB       TYR  47   4.280  -7.780  -0.554
  330    HD1  TYR  47           1HD      TYR  47   7.464  -8.406   1.285
  331    HD2  TYR  47           2HD      TYR  47   3.688  -9.944   0.073
  332    HE1  TYR  47           1HE      TYR  47   7.837 -10.402   2.674
  333    HE2  TYR  47           2HE      TYR  47   4.049 -11.944   1.458
  334    HH   TYR  47           HH       TYR  47   6.506 -12.146   3.787
  Start of MODEL   14
    1   1H    GLY   1          1HT       GLY   1  -9.528  -8.562   8.138
    2   2H    GLY   1          2HT       GLY   1 -10.239  -7.230   7.376
    3   3H    GLY   1          3HT       GLY   1 -10.448  -7.464   9.038
    4   1HA   GLY   1          1HA       GLY   1  -8.089  -7.113   9.420
    5   2HA   GLY   1          2HA       GLY   1  -7.865  -6.881   7.693
    6    H    SER   2           H        SER   2  -7.439  -4.804   7.346
    7    HA   SER   2           HA       SER   2  -9.133  -2.804   8.696
    8   1HB   SER   2          2HB       SER   2  -6.840  -2.659   9.515
    9   2HB   SER   2          1HB       SER   2  -6.234  -2.545   7.862
   10    HG   SER   2           HG       SER   2  -7.987  -0.682   9.094
   11    H    GLY   3           H        GLY   3  -7.029  -3.181   5.825
   12   1HA   GLY   3          2HA       GLY   3  -8.865  -1.410   4.378
   13   2HA   GLY   3          1HA       GLY   3  -7.214  -1.755   3.904
   14    H    GLU   4           H        GLU   4  -7.174  -2.838   2.039
   15    HA   GLU   4           HA       GLU   4  -7.599  -4.384   0.436
   16   1HB   GLU   4          2HB       GLU   4  -7.153  -6.269   1.548
   17   2HB   GLU   4          1HB       GLU   4  -7.958  -5.696   2.995
   18   1HG   GLU   4          2HG       GLU   4 -10.111  -6.472   2.081
   19   2HG   GLU   4          1HG       GLU   4  -9.261  -7.108   0.674
   20    H    VAL   5           H        VAL   5  -9.699  -2.371   1.294
   21    HA   VAL   5           HA       VAL   5 -12.094  -3.666   0.187
   22    HB   VAL   5           HB       VAL   5 -11.941  -1.025   1.630
   23   1HG1  VAL   5          1HG1      VAL   5 -13.883  -1.166   0.244
   24   2HG1  VAL   5          2HG1      VAL   5 -14.394  -1.420   1.912
   25   3HG1  VAL   5          3HG1      VAL   5 -14.242  -2.794   0.818
   26   1HG2  VAL   5          1HG2      VAL   5 -12.546  -3.779   2.698
   27   2HG2  VAL   5          2HG2      VAL   5 -12.960  -2.291   3.548
   28   3HG2  VAL   5          3HG2      VAL   5 -11.272  -2.675   3.215
   29    H    ASN   6           H        ASN   6  -9.579  -1.592  -0.673
   30    HA   ASN   6           HA       ASN   6  -9.255  -0.051  -2.315
   31   1HB   ASN   6          2HB       ASN   6  -9.799  -2.156  -3.563
   32   2HB   ASN   6          1HB       ASN   6 -11.458  -1.582  -3.703
   33   1HD2  ASN   6          1HD2      ASN   6  -9.385  -2.146  -5.732
   34   2HD2  ASN   6          2HD2      ASN   6  -9.253  -0.699  -6.666
   35    H    LYS   7           H        LYS   7  -9.972   1.785  -1.230
   36    HA   LYS   7           HA       LYS   7 -12.546   2.835  -2.102
   37   1HB   LYS   7          2HB       LYS   7 -13.034   3.577   0.156
   38   2HB   LYS   7          1HB       LYS   7 -12.731   1.845   0.193
   39   1HG   LYS   7          2HG       LYS   7 -10.303   2.470   0.800
   40   2HG   LYS   7          1HG       LYS   7 -10.970   4.073   1.149
   41   1HD   LYS   7          2HD       LYS   7 -12.088   1.553   2.356
   42   2HD   LYS   7          1HD       LYS   7 -10.800   2.490   3.117
   43   1HE   LYS   7          2HE       LYS   7 -12.902   3.145   4.076
   44   2HE   LYS   7          1HE       LYS   7 -12.297   4.470   3.083
   45   1HZ   LYS   7          1HZ       LYS   7 -14.781   3.500   2.939
   46   2HZ   LYS   7          2HZ       LYS   7 -14.035   2.601   1.715
   47   3HZ   LYS   7          3HZ       LYS   7 -14.004   4.292   1.662
   48    H    ILE   8           H        ILE   8 -12.029   5.152  -0.282
   49    HA   ILE   8           HA       ILE   8 -10.501   6.738  -2.020
   50    HB   ILE   8           HB       ILE   8 -12.328   7.276  -0.249
   51   1HG1  ILE   8          2HG1      ILE   8 -11.505   8.910  -1.816
   52   2HG1  ILE   8          1HG1      ILE   8 -11.563   9.657  -0.224
   53   1HG2  ILE   8          1HG2      ILE   8 -11.551   8.237   1.821
   54   2HG2  ILE   8          2HG2      ILE   8  -9.879   7.882   1.392
   55   3HG2  ILE   8          3HG2      ILE   8 -11.006   6.563   1.703
   56   1HD1  ILE   8          1HD1      ILE   8  -9.160   9.317   0.021
   57   2HD1  ILE   8          2HD1      ILE   8  -9.542  10.272  -1.410
   58   3HD1  ILE   8          3HD1      ILE   8  -9.105   8.572  -1.576
   59    H    ILE   9           H        ILE   9  -8.353   6.712  -2.252
   60    HA   ILE   9           HA       ILE   9  -6.712   6.093   0.086
   61    HB   ILE   9           HB       ILE   9  -5.205   4.811  -1.239
   62   1HG1  ILE   9          2HG1      ILE   9  -5.475   6.059  -3.378
   63   2HG1  ILE   9          1HG1      ILE   9  -5.532   4.312  -3.579
   64   1HG2  ILE   9          1HG2      ILE   9  -7.543   3.944  -0.435
   65   2HG2  ILE   9          2HG2      ILE   9  -6.364   2.920  -1.261
   66   3HG2  ILE   9          3HG2      ILE   9  -7.715   3.623  -2.157
   67   1HD1  ILE   9          1HD1      ILE   9  -8.125   4.750  -3.353
   68   2HD1  ILE   9          2HD1      ILE   9  -7.268   4.873  -4.886
   69   3HD1  ILE   9          3HD1      ILE   9  -7.644   6.330  -3.972
   70    H    GLY  10           H        GLY  10  -5.019   7.286   0.473
   71   1HA   GLY  10          2HA       GLY  10  -4.101   9.241  -1.549
   72   2HA   GLY  10          1HA       GLY  10  -4.073   9.538   0.195
   73    H    SER  11           H        SER  11  -2.281   8.336  -2.433
   74    HA   SER  11           HA       SER  11  -0.643   6.712  -0.667
   75   1HB   SER  11          2HB       SER  11  -0.866   5.254  -2.317
   76   2HB   SER  11          1HB       SER  11  -1.439   6.531  -3.422
   77    HG   SER  11           HG       SER  11   0.610   7.009  -4.026
   78    H    ARG  12           H        ARG  12   0.858   7.625   0.251
   79    HA   ARG  12           HA       ARG  12   3.043   8.828  -1.225
   80   1HB   ARG  12          2HB       ARG  12   1.525  10.753  -0.920
   81   2HB   ARG  12          1HB       ARG  12   1.602  10.521   0.822
   82   1HG   ARG  12          2HG       ARG  12   4.050  10.918   0.714
   83   2HG   ARG  12          1HG       ARG  12   3.872  11.285  -1.004
   84   1HD   ARG  12          2HD       ARG  12   3.909  13.338   0.269
   85   2HD   ARG  12          1HD       ARG  12   2.308  13.099  -0.429
   86    HE   ARG  12           HE       ARG  12   2.266  12.014   2.130
   87   1HH1  ARG  12          1HH1      ARG  12   2.680  15.128   0.630
   88   2HH1  ARG  12          2HH1      ARG  12   2.019  16.006   1.968
   89   1HH2  ARG  12          1HH2      ARG  12   1.390  13.161   3.899
   90   2HH2  ARG  12          2HH2      ARG  12   1.286  14.889   3.826
   91    H    THR  13           H        THR  13   4.595   7.414  -0.313
   92    HA   THR  13           HA       THR  13   4.734   7.472   2.622
   93    HB   THR  13           HB       THR  13   6.304   5.360   1.270
   94    HG1  THR  13           1HG      THR  13   4.536   4.023   1.054
   95   1HG2  THR  13          1HG2      THR  13   6.413   5.569   3.657
   96   2HG2  THR  13          2HG2      THR  13   5.541   4.091   3.251
   97   3HG2  THR  13          3HG2      THR  13   4.655   5.522   3.779
   98    H    ALA  14           H        ALA  14   7.288   6.553   0.326
   99    HA   ALA  14           HA       ALA  14   8.883   8.830   1.245
  100   1HB   ALA  14          1HB       ALA  14  10.804   7.432   1.753
  101   2HB   ALA  14          2HB       ALA  14   9.870   5.985   1.371
  102   3HB   ALA  14          3HB       ALA  14   9.425   6.981   2.756
  103    H    GLY  15           H        GLY  15   8.923   5.923  -0.831
  104   1HA   GLY  15          2HA       GLY  15   9.002   6.253  -3.249
  105   2HA   GLY  15          1HA       GLY  15  10.031   7.649  -2.966
  106    H    GLU  16           H        GLU  16  11.857   6.594  -1.165
  107    HA   GLU  16           HA       GLU  16  13.686   5.340  -2.865
  108   1HB   GLU  16          2HB       GLU  16  15.126   5.213  -1.000
  109   2HB   GLU  16          1HB       GLU  16  14.124   6.628  -0.700
  110   1HG   GLU  16          2HG       GLU  16  12.714   5.290   0.798
  111   2HG   GLU  16          1HG       GLU  16  13.773   3.908   0.529
  112    H    GLY  17           H        GLY  17  11.151   4.092  -0.892
  113   1HA   GLY  17          2HA       GLY  17  11.660   1.397  -1.910
  114   2HA   GLY  17          1HA       GLY  17  11.499   1.617  -0.172
  115    H    ALA  18           H        ALA  18   9.519   2.859   0.521
  116    HA   ALA  18           HA       ALA  18   7.224   1.908  -1.012
  117   1HB   ALA  18          1HB       ALA  18   7.373   1.084   1.286
  118   2HB   ALA  18          2HB       ALA  18   5.955   2.094   1.017
  119   3HB   ALA  18          3HB       ALA  18   7.354   2.757   1.859
  120    H    MET  19           H        MET  19   5.444   3.353  -1.385
  121    HA   MET  19           HA       MET  19   5.718   6.067  -0.564
  122   1HB   MET  19          2HB       MET  19   7.260   5.417  -2.701
  123   2HB   MET  19          1HB       MET  19   5.802   6.007  -3.488
  124   1HG   MET  19          2HG       MET  19   7.189   7.536  -1.330
  125   2HG   MET  19          1HG       MET  19   7.635   7.688  -3.024
  126   1HE   MET  19          1HE       MET  19   4.300   9.040  -4.595
  127   2HE   MET  19          2HE       MET  19   4.723   7.339  -4.398
  128   3HE   MET  19          3HE       MET  19   5.949   8.498  -4.911
  129    H    GLU  20           H        GLU  20   3.471   4.288  -0.375
  130    HA   GLU  20           HA       GLU  20   1.664   5.943  -1.855
  131   1HB   GLU  20          2HB       GLU  20   1.636   2.955  -2.161
  132   2HB   GLU  20          1HB       GLU  20   0.380   3.987  -2.771
  133   1HG   GLU  20          2HG       GLU  20   2.387   5.197  -3.962
  134   2HG   GLU  20          1HG       GLU  20   3.169   3.627  -3.741
  135    H    TYR  21           H        TYR  21  -0.527   3.876  -1.213
  136    HA   TYR  21           HA       TYR  21  -1.242   4.972   1.433
  137   1HB   TYR  21          2HB       TYR  21  -3.596   4.235   0.387
  138   2HB   TYR  21          1HB       TYR  21  -2.953   5.829   0.031
  139    HD1  TYR  21           1HD      TYR  21  -3.469   6.371  -2.166
  140    HD2  TYR  21           2HD      TYR  21  -2.327   2.387  -1.194
  141    HE1  TYR  21           1HE      TYR  21  -3.704   5.719  -4.524
  142    HE2  TYR  21           2HE      TYR  21  -2.588   1.732  -3.517
  143    HH   TYR  21           HH       TYR  21  -2.882   3.980  -6.059
  144    H    LEU  22           H        LEU  22  -3.259   3.696   2.230
  145    HA   LEU  22           HA       LEU  22  -2.549   0.943   1.751
  146   1HB   LEU  22          2HB       LEU  22  -3.577   0.684   4.206
  147   2HB   LEU  22          1HB       LEU  22  -1.916   1.087   3.954
  148    HG   LEU  22           HG       LEU  22  -2.514   3.494   4.193
  149   1HD1  LEU  22          1HD1      LEU  22  -4.891   3.312   3.704
  150   2HD1  LEU  22          2HD1      LEU  22  -4.620   4.035   5.289
  151   3HD1  LEU  22          3HD1      LEU  22  -5.121   2.350   5.163
  152   1HD2  LEU  22          1HD2      LEU  22  -3.043   1.667   6.526
  153   2HD2  LEU  22          2HD2      LEU  22  -2.675   3.388   6.640
  154   3HD2  LEU  22          3HD2      LEU  22  -1.471   2.269   6.002
  155    H    ILE  23           H        ILE  23  -4.479   1.035   0.084
  156    HA   ILE  23           HA       ILE  23  -6.290  -0.800   0.670
  157    HB   ILE  23           HB       ILE  23  -7.165   0.326   2.553
  158   1HG1  ILE  23          2HG1      ILE  23  -9.354   0.806   0.617
  159   2HG1  ILE  23          1HG1      ILE  23  -8.674  -0.814   0.763
  160   1HG2  ILE  23          1HG2      ILE  23  -7.756   2.489   2.738
  161   2HG2  ILE  23          2HG2      ILE  23  -8.304   2.598   1.071
  162   3HG2  ILE  23          3HG2      ILE  23  -6.578   2.656   1.437
  163   1HD1  ILE  23          1HD1      ILE  23 -10.609   0.300   2.376
  164   2HD1  ILE  23          2HD1      ILE  23  -9.126   0.371   3.335
  165   3HD1  ILE  23          3HD1      ILE  23  -9.683  -1.165   2.688
  166    H    GLU  24           H        GLU  24  -5.528  -0.777  -1.589
  167    HA   GLU  24           HA       GLU  24  -7.664  -0.409  -3.334
  168   1HB   GLU  24          2HB       GLU  24  -7.150   2.006  -3.047
  169   2HB   GLU  24          1HB       GLU  24  -5.553   1.715  -3.726
  170   1HG   GLU  24          2HG       GLU  24  -6.939   0.678  -5.701
  171   2HG   GLU  24          1HG       GLU  24  -8.213   1.709  -5.056
  172    H    TRP  25           H        TRP  25  -6.318  -2.594  -3.186
  173    HA   TRP  25           HA       TRP  25  -4.953  -2.808  -5.740
  174   1HB   TRP  25          2HB       TRP  25  -3.194  -4.275  -4.186
  175   2HB   TRP  25          1HB       TRP  25  -2.873  -2.674  -4.851
  176    HD1  TRP  25           HD       TRP  25  -5.081  -3.625  -1.818
  177    HE1  TRP  25           1HE      TRP  25  -4.273  -2.276   0.203
  178    HE3  TRP  25           3HE      TRP  25  -0.983  -1.292  -3.906
  179    HZ2  TRP  25           2HZ      TRP  25  -2.243  -0.538   0.816
  180    HZ3  TRP  25           3HZ      TRP  25   0.348   0.219  -2.422
  181    HH2  TRP  25           HH       TRP  25  -0.319   0.640  -0.179
  182    H    LYS  26           H        LYS  26  -7.393  -3.805  -4.428
  183    HA   LYS  26           HA       LYS  26  -8.646  -5.696  -4.349
  184   1HB   LYS  26          2HB       LYS  26  -6.483  -6.747  -6.183
  185   2HB   LYS  26          1HB       LYS  26  -8.039  -7.516  -5.908
  186   1HG   LYS  26          2HG       LYS  26  -8.140  -6.343  -7.978
  187   2HG   LYS  26          1HG       LYS  26  -9.139  -5.475  -6.811
  188   1HD   LYS  26          2HD       LYS  26  -7.550  -3.758  -6.569
  189   2HD   LYS  26          1HD       LYS  26  -6.277  -4.716  -7.329
  190   1HE   LYS  26          2HE       LYS  26  -7.484  -4.594  -9.463
  191   2HE   LYS  26          1HE       LYS  26  -8.735  -3.618  -8.692
  192   1HZ   LYS  26          1HZ       LYS  26  -7.118  -2.272  -9.914
  193   2HZ   LYS  26          2HZ       LYS  26  -5.875  -2.847  -8.922
  194   3HZ   LYS  26          3HZ       LYS  26  -7.113  -1.903  -8.263
  195    H    ASP  27           H        ASP  27  -6.312  -5.280  -2.479
  196    HA   ASP  27           HA       ASP  27  -5.318  -6.355  -0.759
  197   1HB   ASP  27          2HB       ASP  27  -7.543  -7.058  -0.185
  198   2HB   ASP  27          1HB       ASP  27  -7.468  -8.387  -1.334
  199    H    GLY  28           H        GLY  28  -3.366  -6.940  -1.121
  200   1HA   GLY  28          2HA       GLY  28  -2.828  -9.460  -2.556
  201   2HA   GLY  28          1HA       GLY  28  -1.764  -8.060  -2.655
  202    H    HIS  29           H        HIS  29  -1.226  -7.178  -0.321
  203    HA   HIS  29           HA       HIS  29  -0.742  -9.442   1.469
  204   1HB   HIS  29          2HB       HIS  29   1.459  -7.441   0.791
  205   2HB   HIS  29          1HB       HIS  29   1.564  -8.837   1.862
  206    HD1  HIS  29           1HD      HIS  29   2.044  -7.837  -1.609
  207    HD2  HIS  29           2HD      HIS  29   1.366 -11.384   0.448
  208    HE1  HIS  29           1HE      HIS  29   2.684  -9.673  -3.203
  209    HE2  HIS  29           2HE      HIS  29   2.357 -11.806  -1.904
  210    H    SER  30           H        SER  30  -2.251  -8.696   2.923
  211    HA   SER  30           HA       SER  30  -3.236  -7.288   4.473
  212   1HB   SER  30          2HB       SER  30  -0.340  -6.713   5.076
  213   2HB   SER  30          1HB       SER  30  -1.699  -6.629   6.205
  214    HG   SER  30           HG       SER  30  -0.183  -8.688   5.793
  215    HA   PRO  31           HA       PRO  31  -3.684  -3.262   2.170
  216   1HB   PRO  31          2HB       PRO  31  -4.875  -2.567   4.770
  217   2HB   PRO  31          1HB       PRO  31  -5.624  -2.585   3.172
  218   1HG   PRO  31          2HG       PRO  31  -5.628  -4.667   5.240
  219   2HG   PRO  31          1HG       PRO  31  -6.657  -4.514   3.815
  220   1HD   PRO  31          2HD       PRO  31  -4.849  -6.463   3.983
  221   2HD   PRO  31          1HD       PRO  31  -5.151  -5.634   2.433
  222    H    SER  32           H        SER  32  -2.149  -1.623   2.221
  223    HA   SER  32           HA       SER  32  -0.752  -1.133   4.689
  224   1HB   SER  32          2HB       SER  32   0.158  -3.286   3.671
  225   2HB   SER  32          1HB       SER  32   0.910  -2.238   2.473
  226    HG   SER  32           HG       SER  32   1.555  -2.673   5.116
  227    H    TRP  33           H        TRP  33   0.168   0.897   4.745
  228    HA   TRP  33           HA       TRP  33   0.193   2.431   2.328
  229   1HB   TRP  33          2HB       TRP  33  -0.407   3.374   4.595
  230   2HB   TRP  33          1HB       TRP  33   1.254   3.094   5.096
  231    HD1  TRP  33           HD       TRP  33   3.109   4.452   3.308
  232    HE1  TRP  33           1HE      TRP  33   2.926   6.918   2.633
  233    HE3  TRP  33           3HE      TRP  33  -1.861   5.244   4.265
  234    HZ2  TRP  33           2HZ      TRP  33   0.941   8.945   2.486
  235    HZ3  TRP  33           3HZ      TRP  33  -2.817   7.459   3.822
  236    HH2  TRP  33           HH       TRP  33  -1.440   9.273   2.949
  237    H    VAL  34           H        VAL  34   1.573   1.598   1.012
  238    HA   VAL  34           HA       VAL  34   4.369   1.721   1.636
  239    HB   VAL  34           HB       VAL  34   3.605  -0.944   0.485
  240   1HG1  VAL  34          1HG1      VAL  34   5.242  -1.221   2.759
  241   2HG1  VAL  34          2HG1      VAL  34   5.772   0.275   2.006
  242   3HG1  VAL  34          3HG1      VAL  34   5.777  -1.221   1.086
  243   1HG2  VAL  34          1HG2      VAL  34   3.068  -0.311   3.371
  244   2HG2  VAL  34          2HG2      VAL  34   3.044  -1.913   2.633
  245   3HG2  VAL  34          3HG2      VAL  34   1.885  -0.693   2.130
  246    HA   PRO  35           HA       PRO  35   4.308   2.427  -2.778
  247   1HB   PRO  35          2HB       PRO  35   6.115   1.032  -4.064
  248   2HB   PRO  35          1HB       PRO  35   6.572   2.093  -2.736
  249   1HG   PRO  35          2HG       PRO  35   6.317  -0.877  -2.796
  250   2HG   PRO  35          1HG       PRO  35   7.468   0.142  -1.916
  251   1HD   PRO  35          2HD       PRO  35   5.126  -1.011  -0.867
  252   2HD   PRO  35          1HD       PRO  35   6.132   0.240  -0.124
  253    H    SER  36           H        SER  36   2.254   1.850  -3.516
  254    HA   SER  36           HA       SER  36   0.751   1.003  -4.964
  255   1HB   SER  36          2HB       SER  36   2.458   1.563  -6.616
  256   2HB   SER  36          1HB       SER  36   3.246   0.008  -6.355
  257    HG   SER  36           HG       SER  36   1.963  -0.256  -8.119
  258    H    SER  37           H        SER  37   1.978  -0.756  -2.738
  259    HA   SER  37           HA       SER  37   0.375  -2.998  -3.370
  260   1HB   SER  37          2HB       SER  37   3.366  -3.448  -3.270
  261   2HB   SER  37          1HB       SER  37   2.143  -4.715  -3.324
  262    HG   SER  37           HG       SER  37   3.189  -3.263  -5.343
  263    H    TYR  38           H        TYR  38   3.055  -3.863  -1.407
  264    HA   TYR  38           HA       TYR  38   2.307  -2.842   1.095
  265   1HB   TYR  38          2HB       TYR  38   1.569  -5.574   1.431
  266   2HB   TYR  38          1HB       TYR  38   0.597  -4.147   1.764
  267    HD1  TYR  38           1HD      TYR  38  -1.470  -4.261   0.886
  268    HD2  TYR  38           2HD      TYR  38   1.750  -5.957  -1.287
  269    HE1  TYR  38           1HE      TYR  38  -3.046  -4.928  -0.905
  270    HE2  TYR  38           2HE      TYR  38   0.209  -6.629  -3.079
  271    HH   TYR  38           HH       TYR  38  -3.241  -5.811  -2.966
  272    H    ILE  39           H        ILE  39   4.370  -2.820   1.587
  273    HA   ILE  39           HA       ILE  39   5.762  -5.274   1.989
  274    HB   ILE  39           HB       ILE  39   6.298  -5.244  -0.241
  275   1HG1  ILE  39          2HG1      ILE  39   8.586  -4.839  -0.475
  276   2HG1  ILE  39          1HG1      ILE  39   8.563  -3.470   0.625
  277   1HG2  ILE  39          1HG2      ILE  39   6.621  -2.262  -0.232
  278   2HG2  ILE  39          2HG2      ILE  39   5.171  -3.134  -0.754
  279   3HG2  ILE  39          3HG2      ILE  39   6.692  -3.329  -1.624
  280   1HD1  ILE  39          1HD1      ILE  39   9.591  -5.717   1.379
  281   2HD1  ILE  39          2HD1      ILE  39   7.914  -6.212   1.614
  282   3HD1  ILE  39          3HD1      ILE  39   8.559  -4.830   2.497
  283    H    ALA  40           H        ALA  40   5.377  -4.139   4.048
  284    HA   ALA  40           HA       ALA  40   7.298  -1.973   4.526
  285   1HB   ALA  40          1HB       ALA  40   4.997  -1.651   5.312
  286   2HB   ALA  40          2HB       ALA  40   6.177  -1.608   6.622
  287   3HB   ALA  40          3HB       ALA  40   5.182  -3.045   6.377
  288    H    ALA  41           H        ALA  41   9.187  -3.056   4.529
  289    HA   ALA  41           HA       ALA  41   9.803  -4.530   6.958
  290   1HB   ALA  41          1HB       ALA  41  10.321  -5.655   4.206
  291   2HB   ALA  41          2HB       ALA  41   9.235  -6.317   5.428
  292   3HB   ALA  41          3HB       ALA  41  10.977  -6.310   5.706
  293    H    ASP  42           H        ASP  42  10.965  -3.211   3.884
  294    HA   ASP  42           HA       ASP  42  13.186  -1.980   5.317
  295   1HB   ASP  42          2HB       ASP  42  13.495  -3.670   2.829
  296   2HB   ASP  42          1HB       ASP  42  14.755  -2.633   3.492
  297    H    VAL  43           H        VAL  43  12.293  -2.333   1.888
  298    HA   VAL  43           HA       VAL  43  11.167   0.120   1.427
  299    HB   VAL  43           HB       VAL  43  13.336   1.099   0.199
  300   1HG1  VAL  43          1HG1      VAL  43  12.569   2.748   1.466
  301   2HG1  VAL  43          2HG1      VAL  43  13.601   2.144   2.763
  302   3HG1  VAL  43          3HG1      VAL  43  11.920   1.625   2.654
  303   1HG2  VAL  43          1HG2      VAL  43  15.346   0.825   1.383
  304   2HG2  VAL  43          2HG2      VAL  43  14.708  -0.808   1.190
  305   3HG2  VAL  43          3HG2      VAL  43  14.543   0.027   2.734
  306    H    VAL  44           H        VAL  44  10.183  -1.686   0.101
  307    HA   VAL  44           HA       VAL  44  11.491  -1.747  -2.535
  308    HB   VAL  44           HB       VAL  44  10.123  -4.146  -1.333
  309   1HG1  VAL  44          1HG1      VAL  44  11.154  -5.320  -3.255
  310   2HG1  VAL  44          2HG1      VAL  44  11.689  -3.758  -3.875
  311   3HG1  VAL  44          3HG1      VAL  44   9.966  -4.106  -3.733
  312   1HG2  VAL  44          1HG2      VAL  44  13.059  -3.543  -1.625
  313   2HG2  VAL  44          2HG2      VAL  44  12.394  -5.120  -1.203
  314   3HG2  VAL  44          3HG2      VAL  44  12.164  -3.749  -0.119
  315    H    SER  45           H        SER  45  10.122  -1.959  -4.330
  316    HA   SER  45           HA       SER  45   7.689  -0.533  -4.134
  317   1HB   SER  45          2HB       SER  45   9.126  -0.334  -6.079
  318   2HB   SER  45          1HB       SER  45   8.863  -2.034  -6.467
  319    HG   SER  45           HG       SER  45   6.714  -1.579  -6.886
  320    H    GLU  46           H        GLU  46   8.082  -3.644  -3.322
  321    HA   GLU  46           HA       GLU  46   5.351  -4.215  -3.160
  322   1HB   GLU  46          2HB       GLU  46   5.442  -4.422  -5.594
  323   2HB   GLU  46          1HB       GLU  46   6.758  -5.581  -5.467
  324   1HG   GLU  46          2HG       GLU  46   5.274  -7.141  -4.316
  325   2HG   GLU  46          1HG       GLU  46   3.953  -5.981  -4.451
  326    H    TYR  47           H        TYR  47   4.916  -6.330  -2.244
  327    HA   TYR  47           HA       TYR  47   6.907  -7.154  -0.451
  328   1HB   TYR  47          2HB       TYR  47   4.310  -7.538  -0.352
  329   2HB   TYR  47          1HB       TYR  47   4.685  -9.013  -1.242
  330    HD1  TYR  47           1HD      TYR  47   7.534  -8.993   0.381
  331    HD2  TYR  47           2HD      TYR  47   3.406  -9.112   1.396
  332    HE1  TYR  47           1HE      TYR  47   8.090 -10.127   2.492
  333    HE2  TYR  47           2HE      TYR  47   3.950 -10.241   3.511
  334    HH   TYR  47           HH       TYR  47   7.117 -10.456   4.718
  Start of MODEL   15
    1   1H    GLY   1          1HT       GLY   1  -6.728   3.813   9.311
    2   2H    GLY   1          2HT       GLY   1  -6.162   2.268   8.922
    3   3H    GLY   1          3HT       GLY   1  -7.073   2.505  10.327
    4   1HA   GLY   1          1HA       GLY   1  -9.003   3.126   8.991
    5   2HA   GLY   1          2HA       GLY   1  -8.053   2.831   7.543
    6    H    SER   2           H        SER   2  -9.312   1.184   6.737
    7    HA   SER   2           HA       SER   2  -9.670  -1.196   8.415
    8   1HB   SER   2          2HB       SER   2 -10.931  -0.494   5.752
    9   2HB   SER   2          1HB       SER   2 -11.304  -1.919   6.723
   10    HG   SER   2           HG       SER   2 -12.801  -0.575   7.431
   11    H    GLY   3           H        GLY   3  -8.926  -0.514   4.986
   12   1HA   GLY   3          2HA       GLY   3  -7.022  -1.289   3.826
   13   2HA   GLY   3          1HA       GLY   3  -6.714  -2.418   5.136
   14    H    GLU   4           H        GLU   4  -6.681  -3.010   2.317
   15    HA   GLU   4           HA       GLU   4  -7.549  -4.469   0.785
   16   1HB   GLU   4          2HB       GLU   4  -6.893  -6.202   2.154
   17   2HB   GLU   4          1HB       GLU   4  -7.990  -5.753   3.452
   18   1HG   GLU   4          2HG       GLU   4  -9.312  -6.672   1.004
   19   2HG   GLU   4          1HG       GLU   4  -8.294  -7.876   1.788
   20    H    VAL   5           H        VAL   5  -9.025  -2.362   0.780
   21    HA   VAL   5           HA       VAL   5 -11.772  -3.373   0.689
   22    HB   VAL   5           HB       VAL   5 -11.095  -0.554   1.484
   23   1HG1  VAL   5          1HG1      VAL   5 -13.645  -2.157   1.665
   24   2HG1  VAL   5          2HG1      VAL   5 -13.310  -0.864   0.513
   25   3HG1  VAL   5          3HG1      VAL   5 -13.427  -0.502   2.235
   26   1HG2  VAL   5          1HG2      VAL   5 -10.218  -1.916   3.219
   27   2HG2  VAL   5          2HG2      VAL   5 -11.643  -2.956   3.211
   28   3HG2  VAL   5          3HG2      VAL   5 -11.767  -1.293   3.786
   29    H    ASN   6           H        ASN   6  -9.283  -1.442  -0.827
   30    HA   ASN   6           HA       ASN   6  -9.200  -0.301  -2.809
   31   1HB   ASN   6          2HB       ASN   6  -9.738  -2.718  -3.491
   32   2HB   ASN   6          1HB       ASN   6 -11.391  -2.159  -3.732
   33   1HD2  ASN   6          1HD2      ASN   6  -8.100  -1.957  -4.837
   34   2HD2  ASN   6          2HD2      ASN   6  -8.447  -1.223  -6.364
   35    H    LYS   7           H        LYS   7 -10.115   1.568  -1.740
   36    HA   LYS   7           HA       LYS   7 -12.753   2.242  -2.807
   37   1HB   LYS   7          2HB       LYS   7 -12.913   3.419  -0.357
   38   2HB   LYS   7          1HB       LYS   7 -13.620   1.871  -0.772
   39   1HG   LYS   7          2HG       LYS   7 -12.093   0.677   0.411
   40   2HG   LYS   7          1HG       LYS   7 -10.791   1.854   0.207
   41   1HD   LYS   7          2HD       LYS   7 -13.225   2.211   1.979
   42   2HD   LYS   7          1HD       LYS   7 -11.631   1.700   2.537
   43   1HE   LYS   7          2HE       LYS   7 -10.696   3.825   1.679
   44   2HE   LYS   7          1HE       LYS   7 -12.325   4.333   1.239
   45   1HZ   LYS   7          1HZ       LYS   7 -12.952   4.158   3.581
   46   2HZ   LYS   7          2HZ       LYS   7 -11.692   5.265   3.357
   47   3HZ   LYS   7          3HZ       LYS   7 -11.366   3.729   3.983
   48    H    ILE   8           H        ILE   8 -11.237   4.265  -0.391
   49    HA   ILE   8           HA       ILE   8 -10.220   6.079  -2.446
   50    HB   ILE   8           HB       ILE   8 -12.414   6.954  -2.046
   51   1HG1  ILE   8          2HG1      ILE   8 -11.933   9.166  -1.218
   52   2HG1  ILE   8          1HG1      ILE   8 -10.545   8.579  -0.308
   53   1HG2  ILE   8          1HG2      ILE   8 -11.791   6.829   0.899
   54   2HG2  ILE   8          2HG2      ILE   8 -12.877   5.750   0.025
   55   3HG2  ILE   8          3HG2      ILE   8 -13.268   7.464   0.176
   56   1HD1  ILE   8          1HD1      ILE   8  -9.420   8.034  -2.417
   57   2HD1  ILE   8          2HD1      ILE   8  -9.823   9.746  -2.289
   58   3HD1  ILE   8          3HD1      ILE   8 -10.799   8.684  -3.303
   59    H    ILE   9           H        ILE   9  -8.149   6.354  -1.927
   60    HA   ILE   9           HA       ILE   9  -7.450   7.032   0.816
   61    HB   ILE   9           HB       ILE   9  -7.349   4.646   0.792
   62   1HG1  ILE   9          2HG1      ILE   9  -4.940   4.232   1.244
   63   2HG1  ILE   9          1HG1      ILE   9  -4.573   5.831   0.643
   64   1HG2  ILE   9          1HG2      ILE   9  -6.358   5.055  -1.869
   65   2HG2  ILE   9          2HG2      ILE   9  -7.076   3.627  -1.140
   66   3HG2  ILE   9          3HG2      ILE   9  -5.351   3.919  -0.979
   67   1HD1  ILE   9          1HD1      ILE   9  -6.187   5.102   3.064
   68   2HD1  ILE   9          2HD1      ILE   9  -6.093   6.739   2.412
   69   3HD1  ILE   9          3HD1      ILE   9  -4.639   5.942   3.007
   70    H    GLY  10           H        GLY  10  -5.108   7.635   0.990
   71   1HA   GLY  10          2HA       GLY  10  -4.212   9.043  -1.461
   72   2HA   GLY  10          1HA       GLY  10  -3.961   9.659   0.173
   73    H    SER  11           H        SER  11  -2.433   8.141  -2.340
   74    HA   SER  11           HA       SER  11  -0.804   6.458  -0.602
   75   1HB   SER  11          2HB       SER  11  -0.918   4.917  -2.208
   76   2HB   SER  11          1HB       SER  11  -1.905   6.043  -3.157
   77    HG   SER  11           HG       SER  11  -0.256   6.524  -4.367
   78    H    ARG  12           H        ARG  12   0.689   7.309   0.264
   79    HA   ARG  12           HA       ARG  12   2.871   8.453  -1.249
   80   1HB   ARG  12          2HB       ARG  12   1.374  10.197   0.711
   81   2HB   ARG  12          1HB       ARG  12   2.938  10.592   0.011
   82   1HG   ARG  12          2HG       ARG  12   1.899  10.530  -2.234
   83   2HG   ARG  12          1HG       ARG  12   0.334  10.264  -1.462
   84   1HD   ARG  12          2HD       ARG  12   0.557  12.389  -0.275
   85   2HD   ARG  12          1HD       ARG  12   2.127  12.652  -1.033
   86    HE   ARG  12           HE       ARG  12   0.015  12.250  -2.928
   87   1HH1  ARG  12          1HH1      ARG  12   1.610  14.598  -0.907
   88   2HH1  ARG  12          2HH1      ARG  12   1.150  15.946  -1.891
   89   1HH2  ARG  12          1HH2      ARG  12  -0.595  14.021  -4.229
   90   2HH2  ARG  12          2HH2      ARG  12  -0.103  15.619  -3.778
   91    H    THR  13           H        THR  13   4.489   7.213  -0.360
   92    HA   THR  13           HA       THR  13   4.611   7.180   2.571
   93    HB   THR  13           HB       THR  13   6.032   5.143   0.944
   94    HG1  THR  13           1HG      THR  13   4.303   3.840   1.007
   95   1HG2  THR  13          1HG2      THR  13   5.267   5.439   3.809
   96   2HG2  THR  13          2HG2      THR  13   6.863   5.157   3.114
   97   3HG2  THR  13          3HG2      THR  13   5.663   3.864   3.123
   98    H    ALA  14           H        ALA  14   7.168   6.390   0.217
   99    HA   ALA  14           HA       ALA  14   8.686   8.704   1.171
  100   1HB   ALA  14          1HB       ALA  14   9.228   6.942   2.768
  101   2HB   ALA  14          2HB       ALA  14  10.632   7.385   1.796
  102   3HB   ALA  14          3HB       ALA  14   9.749   5.899   1.444
  103    H    GLY  15           H        GLY  15   9.198   5.700  -0.698
  104   1HA   GLY  15          2HA       GLY  15   9.308   6.026  -3.174
  105   2HA   GLY  15          1HA       GLY  15  10.351   7.396  -2.834
  106    H    GLU  16           H        GLU  16  11.949   6.259  -0.829
  107    HA   GLU  16           HA       GLU  16  13.917   4.971  -2.343
  108   1HB   GLU  16          2HB       GLU  16  14.528   6.121  -0.327
  109   2HB   GLU  16          1HB       GLU  16  13.466   5.108   0.642
  110   1HG   GLU  16          2HG       GLU  16  15.754   4.453   0.981
  111   2HG   GLU  16          1HG       GLU  16  14.889   3.169   0.136
  112    H    GLY  17           H        GLY  17  11.162   3.758  -0.638
  113   1HA   GLY  17          2HA       GLY  17  11.666   1.101  -1.699
  114   2HA   GLY  17          1HA       GLY  17  11.538   1.230   0.050
  115    H    ALA  18           H        ALA  18   9.537   3.025   0.420
  116    HA   ALA  18           HA       ALA  18   7.261   1.763  -0.903
  117   1HB   ALA  18          1HB       ALA  18   7.391   2.774   1.933
  118   2HB   ALA  18          2HB       ALA  18   7.408   1.075   1.456
  119   3HB   ALA  18          3HB       ALA  18   5.975   2.062   1.159
  120    H    MET  19           H        MET  19   5.406   3.170  -1.297
  121    HA   MET  19           HA       MET  19   5.649   5.930  -0.734
  122   1HB   MET  19          2HB       MET  19   7.347   5.244  -2.681
  123   2HB   MET  19          1HB       MET  19   5.922   5.610  -3.647
  124   1HG   MET  19          2HG       MET  19   5.784   7.805  -2.541
  125   2HG   MET  19          1HG       MET  19   7.270   7.422  -1.681
  126   1HE   MET  19          1HE       MET  19   6.799  10.066  -3.565
  127   2HE   MET  19          2HE       MET  19   8.412  10.138  -4.278
  128   3HE   MET  19          3HE       MET  19   8.218   9.735  -2.572
  129    H    GLU  20           H        GLU  20   3.439   3.967  -0.722
  130    HA   GLU  20           HA       GLU  20   1.664   5.744  -2.117
  131   1HB   GLU  20          2HB       GLU  20   1.788   2.879  -2.823
  132   2HB   GLU  20          1HB       GLU  20   0.316   3.762  -3.037
  133   1HG   GLU  20          2HG       GLU  20   2.111   5.418  -4.209
  134   2HG   GLU  20          1HG       GLU  20   2.836   3.845  -4.556
  135    H    TYR  21           H        TYR  21  -0.220   3.026  -1.173
  136    HA   TYR  21           HA       TYR  21  -0.479   4.063   1.542
  137   1HB   TYR  21          2HB       TYR  21  -2.815   4.693   1.199
  138   2HB   TYR  21          1HB       TYR  21  -1.690   5.704   0.389
  139    HD1  TYR  21           1HD      TYR  21  -3.821   6.338  -1.045
  140    HD2  TYR  21           2HD      TYR  21  -2.014   2.492  -1.206
  141    HE1  TYR  21           1HE      TYR  21  -4.759   6.005  -3.247
  142    HE2  TYR  21           2HE      TYR  21  -2.986   2.146  -3.413
  143    HH   TYR  21           HH       TYR  21  -4.336   4.643  -5.252
  144    H    LEU  22           H        LEU  22  -3.586   3.059   0.674
  145    HA   LEU  22           HA       LEU  22  -3.209   0.360   1.110
  146   1HB   LEU  22          2HB       LEU  22  -5.113   0.974   3.114
  147   2HB   LEU  22          1HB       LEU  22  -3.561   0.193   3.312
  148    HG   LEU  22           HG       LEU  22  -2.661   2.673   3.354
  149   1HD1  LEU  22          1HD1      LEU  22  -4.115   4.329   3.952
  150   2HD1  LEU  22          2HD1      LEU  22  -5.283   3.205   4.645
  151   3HD1  LEU  22          3HD1      LEU  22  -5.155   3.375   2.901
  152   1HD2  LEU  22          1HD2      LEU  22  -4.131   1.921   5.823
  153   2HD2  LEU  22          2HD2      LEU  22  -2.458   2.442   5.616
  154   3HD2  LEU  22          3HD2      LEU  22  -2.927   0.794   5.202
  155    H    ILE  23           H        ILE  23  -5.429  -0.713   1.334
  156    HA   ILE  23           HA       ILE  23  -7.249  -1.330   0.138
  157    HB   ILE  23           HB       ILE  23  -9.164   0.178   0.267
  158   1HG1  ILE  23          2HG1      ILE  23  -7.667   2.279  -0.064
  159   2HG1  ILE  23          1HG1      ILE  23  -9.101   2.401   0.924
  160   1HG2  ILE  23          1HG2      ILE  23  -8.413  -1.193   2.200
  161   2HG2  ILE  23          2HG2      ILE  23  -9.375   0.223   2.626
  162   3HG2  ILE  23          3HG2      ILE  23  -7.625   0.250   2.838
  163   1HD1  ILE  23          1HD1      ILE  23  -7.916   3.061   2.667
  164   2HD1  ILE  23          2HD1      ILE  23  -6.515   3.144   1.602
  165   3HD1  ILE  23          3HD1      ILE  23  -6.828   1.681   2.527
  166    H    GLU  24           H        GLU  24  -5.508  -1.091  -1.696
  167    HA   GLU  24           HA       GLU  24  -6.968  -0.179  -3.939
  168   1HB   GLU  24          2HB       GLU  24  -5.161   1.703  -2.707
  169   2HB   GLU  24          1HB       GLU  24  -4.665   1.355  -4.362
  170   1HG   GLU  24          2HG       GLU  24  -7.522   1.963  -3.758
  171   2HG   GLU  24          1HG       GLU  24  -6.353   3.273  -3.875
  172    H    TRP  25           H        TRP  25  -5.537  -2.555  -2.950
  173    HA   TRP  25           HA       TRP  25  -4.149  -3.142  -5.450
  174   1HB   TRP  25          2HB       TRP  25  -2.575  -4.609  -3.829
  175   2HB   TRP  25          1HB       TRP  25  -2.145  -3.001  -4.391
  176    HD1  TRP  25           HD       TRP  25  -3.997  -4.487  -1.255
  177    HE1  TRP  25           1HE      TRP  25  -3.198  -3.110   0.790
  178    HE3  TRP  25           3HE      TRP  25  -0.926  -1.132  -3.625
  179    HZ2  TRP  25           2HZ      TRP  25  -1.594  -0.894   1.277
  180    HZ3  TRP  25           3HZ      TRP  25   0.253   0.557  -2.246
  181    HH2  TRP  25           HH       TRP  25  -0.157   0.735   0.103
  182    H    LYS  26           H        LYS  26  -6.745  -3.785  -4.329
  183    HA   LYS  26           HA       LYS  26  -8.149  -5.548  -4.003
  184   1HB   LYS  26          2HB       LYS  26  -6.118  -6.851  -5.827
  185   2HB   LYS  26          1HB       LYS  26  -7.696  -7.527  -5.443
  186   1HG   LYS  26          2HG       LYS  26  -8.775  -5.584  -6.459
  187   2HG   LYS  26          1HG       LYS  26  -7.192  -4.914  -6.850
  188   1HD   LYS  26          2HD       LYS  26  -8.195  -6.024  -8.785
  189   2HD   LYS  26          1HD       LYS  26  -6.715  -6.838  -8.273
  190   1HE   LYS  26          2HE       LYS  26  -9.238  -7.822  -7.090
  191   2HE   LYS  26          1HE       LYS  26  -9.012  -8.125  -8.812
  192   1HZ   LYS  26          1HZ       LYS  26  -7.109  -8.896  -6.664
  193   2HZ   LYS  26          2HZ       LYS  26  -6.908  -9.198  -8.314
  194   3HZ   LYS  26          3HZ       LYS  26  -8.166  -9.945  -7.465
  195    H    ASP  27           H        ASP  27  -6.256  -5.164  -1.977
  196    HA   ASP  27           HA       ASP  27  -5.348  -6.157  -0.163
  197   1HB   ASP  27          2HB       ASP  27  -6.610  -7.868   0.833
  198   2HB   ASP  27          1HB       ASP  27  -7.758  -6.991  -0.170
  199    H    GLY  28           H        GLY  28  -3.881  -6.470  -2.538
  200   1HA   GLY  28          2HA       GLY  28  -2.993  -8.930  -3.301
  201   2HA   GLY  28          1HA       GLY  28  -1.914  -7.553  -3.107
  202    H    HIS  29           H        HIS  29  -1.211  -7.134  -0.787
  203    HA   HIS  29           HA       HIS  29  -1.015  -9.649   0.714
  204   1HB   HIS  29          2HB       HIS  29   1.396  -7.882   0.767
  205   2HB   HIS  29          1HB       HIS  29   1.265  -9.631   0.902
  206    HD1  HIS  29           1HD      HIS  29   1.931  -6.945  -1.519
  207    HD2  HIS  29           2HD      HIS  29   1.033 -11.001  -1.612
  208    HE1  HIS  29           1HE      HIS  29   2.524  -7.711  -3.839
  209    HE2  HIS  29           2HE      HIS  29   1.969 -10.169  -3.875
  210    H    SER  30           H        SER  30  -2.350  -9.079   2.369
  211    HA   SER  30           HA       SER  30  -3.167  -7.909   4.189
  212   1HB   SER  30          2HB       SER  30  -0.196  -7.561   4.601
  213   2HB   SER  30          1HB       SER  30  -1.442  -7.553   5.862
  214    HG   SER  30           HG       SER  30  -1.804  -9.711   5.518
  215    HA   PRO  31           HA       PRO  31  -3.581  -3.548   2.596
  216   1HB   PRO  31          2HB       PRO  31  -4.463  -3.255   5.395
  217   2HB   PRO  31          1HB       PRO  31  -5.305  -2.856   3.898
  218   1HG   PRO  31          2HG       PRO  31  -5.524  -5.254   5.501
  219   2HG   PRO  31          1HG       PRO  31  -6.463  -4.791   4.081
  220   1HD   PRO  31          2HD       PRO  31  -4.740  -6.895   4.095
  221   2HD   PRO  31          1HD       PRO  31  -5.083  -5.944   2.631
  222    H    SER  32           H        SER  32  -2.212  -1.778   2.803
  223    HA   SER  32           HA       SER  32  -0.462  -1.640   5.122
  224   1HB   SER  32          2HB       SER  32   0.570  -3.261   3.753
  225   2HB   SER  32          1HB       SER  32   0.479  -2.212   2.349
  226    HG   SER  32           HG       SER  32   2.440  -2.412   4.103
  227    H    TRP  33           H        TRP  33   1.506  -0.086   3.985
  228    HA   TRP  33           HA       TRP  33   0.404   2.211   2.585
  229   1HB   TRP  33          2HB       TRP  33   0.630   2.596   5.147
  230   2HB   TRP  33          1HB       TRP  33   2.366   2.464   4.878
  231    HD1  TRP  33           HD       TRP  33   3.579   4.483   3.817
  232    HE1  TRP  33           1HE      TRP  33   2.861   6.872   3.207
  233    HE3  TRP  33           3HE      TRP  33  -1.469   3.952   4.271
  234    HZ2  TRP  33           2HZ      TRP  33   0.469   8.350   2.945
  235    HZ3  TRP  33           3HZ      TRP  33  -2.906   5.895   3.824
  236    HH2  TRP  33           HH       TRP  33  -1.959   8.049   3.171
  237    H    VAL  34           H        VAL  34   1.335   1.580   0.783
  238    HA   VAL  34           HA       VAL  34   4.216   1.281   0.571
  239    HB   VAL  34           HB       VAL  34   3.958  -0.945   1.094
  240   1HG1  VAL  34          1HG1      VAL  34   2.062  -1.917   1.513
  241   2HG1  VAL  34          2HG1      VAL  34   1.499  -1.779  -0.146
  242   3HG1  VAL  34          3HG1      VAL  34   1.241  -0.466   0.988
  243   1HG2  VAL  34          1HG2      VAL  34   4.775  -1.253  -1.047
  244   2HG2  VAL  34          2HG2      VAL  34   3.268  -0.859  -1.808
  245   3HG2  VAL  34          3HG2      VAL  34   3.454  -2.355  -0.944
  246    HA   PRO  35           HA       PRO  35   3.635   3.010  -3.391
  247   1HB   PRO  35          2HB       PRO  35   5.167   0.977  -4.831
  248   2HB   PRO  35          1HB       PRO  35   5.432   2.714  -4.673
  249   1HG   PRO  35          2HG       PRO  35   6.949   0.952  -3.392
  250   2HG   PRO  35          1HG       PRO  35   6.511   2.489  -2.656
  251   1HD   PRO  35          2HD       PRO  35   5.326  -0.202  -2.243
  252   2HD   PRO  35          1HD       PRO  35   5.712   0.990  -1.004
  253    H    SER  36           H        SER  36   2.384  -0.183  -3.212
  254    HA   SER  36           HA       SER  36   0.221   0.021  -4.748
  255   1HB   SER  36          2HB       SER  36   2.565  -0.192  -6.563
  256   2HB   SER  36          1HB       SER  36   1.125  -1.107  -7.001
  257    HG   SER  36           HG       SER  36   1.452   1.285  -7.638
  258    H    SER  37           H        SER  37   1.446  -1.785  -2.751
  259    HA   SER  37           HA       SER  37   0.011  -4.117  -3.364
  260   1HB   SER  37          2HB       SER  37   2.994  -4.327  -3.811
  261   2HB   SER  37          1HB       SER  37   1.989  -5.724  -3.447
  262    HG   SER  37           HG       SER  37   0.801  -5.287  -5.331
  263    H    TYR  38           H        TYR  38   3.191  -4.208  -1.879
  264    HA   TYR  38           HA       TYR  38   2.502  -3.524   0.716
  265   1HB   TYR  38          2HB       TYR  38   1.069  -5.454   0.662
  266   2HB   TYR  38          1HB       TYR  38   2.481  -6.474   0.287
  267    HD1  TYR  38           1HD      TYR  38   0.524  -4.914   2.863
  268    HD2  TYR  38           2HD      TYR  38   4.279  -6.526   1.878
  269    HE1  TYR  38           1HE      TYR  38   1.067  -5.084   5.263
  270    HE2  TYR  38           2HE      TYR  38   4.882  -6.744   4.211
  271    HH   TYR  38           HH       TYR  38   4.210  -5.695   6.397
  272    H    ILE  39           H        ILE  39   4.232  -3.794   2.196
  273    HA   ILE  39           HA       ILE  39   6.560  -5.228   1.735
  274    HB   ILE  39           HB       ILE  39   6.961  -4.040  -0.264
  275   1HG1  ILE  39          2HG1      ILE  39   9.052  -3.000   0.093
  276   2HG1  ILE  39          1HG1      ILE  39   8.609  -2.446   1.697
  277   1HG2  ILE  39          1HG2      ILE  39   5.297  -2.205   0.611
  278   2HG2  ILE  39          2HG2      ILE  39   6.448  -1.880  -0.675
  279   3HG2  ILE  39          3HG2      ILE  39   6.799  -1.354   0.969
  280   1HD1  ILE  39          1HD1      ILE  39  10.202  -4.278   1.788
  281   2HD1  ILE  39          2HD1      ILE  39   9.086  -5.305   0.890
  282   3HD1  ILE  39          3HD1      ILE  39   8.662  -4.744   2.508
  283    H    ALA  40           H        ALA  40   5.817  -5.178   4.034
  284    HA   ALA  40           HA       ALA  40   6.120  -2.808   5.556
  285   1HB   ALA  40          1HB       ALA  40   6.320  -5.647   6.523
  286   2HB   ALA  40          2HB       ALA  40   4.821  -4.742   6.313
  287   3HB   ALA  40          3HB       ALA  40   6.010  -4.215   7.503
  288    H    ALA  41           H        ALA  41   8.036  -1.828   5.088
  289    HA   ALA  41           HA       ALA  41  10.253  -2.309   6.645
  290   1HB   ALA  41          1HB       ALA  41  10.712  -4.345   5.512
  291   2HB   ALA  41          2HB       ALA  41  11.884  -3.165   4.925
  292   3HB   ALA  41          3HB       ALA  41  10.492  -3.594   3.932
  293    H    ASP  42           H        ASP  42   9.007  -1.135   3.597
  294    HA   ASP  42           HA       ASP  42   9.135   0.921   2.629
  295   1HB   ASP  42          2HB       ASP  42   9.313   1.821   4.966
  296   2HB   ASP  42          1HB       ASP  42  11.064   1.713   4.820
  297    H    VAL  43           H        VAL  43  10.924  -1.347   2.114
  298    HA   VAL  43           HA       VAL  43  13.176   0.140   0.915
  299    HB   VAL  43           HB       VAL  43  13.166  -2.765   1.739
  300   1HG1  VAL  43          1HG1      VAL  43  15.312  -0.988   0.591
  301   2HG1  VAL  43          2HG1      VAL  43  14.630  -2.451  -0.122
  302   3HG1  VAL  43          3HG1      VAL  43  15.626  -2.559   1.328
  303   1HG2  VAL  43          1HG2      VAL  43  13.146  -1.341   3.695
  304   2HG2  VAL  43          2HG2      VAL  43  14.457  -0.365   3.032
  305   3HG2  VAL  43          3HG2      VAL  43  14.751  -2.042   3.489
  306    H    VAL  44           H        VAL  44  10.372  -1.594   0.212
  307    HA   VAL  44           HA       VAL  44  11.153  -1.785  -2.590
  308    HB   VAL  44           HB       VAL  44   9.803  -4.127  -1.255
  309   1HG1  VAL  44          1HG1      VAL  44  10.587  -5.279  -3.340
  310   2HG1  VAL  44          2HG1      VAL  44  11.031  -3.690  -3.964
  311   3HG1  VAL  44          3HG1      VAL  44   9.347  -4.048  -3.581
  312   1HG2  VAL  44          1HG2      VAL  44  12.029  -3.895  -0.299
  313   2HG2  VAL  44          2HG2      VAL  44  12.727  -3.808  -1.915
  314   3HG2  VAL  44          3HG2      VAL  44  11.953  -5.295  -1.368
  315    H    SER  45           H        SER  45   9.270  -2.154  -4.014
  316    HA   SER  45           HA       SER  45   6.905  -0.736  -3.004
  317   1HB   SER  45          2HB       SER  45   6.345  -0.460  -5.392
  318   2HB   SER  45          1HB       SER  45   7.957   0.154  -5.022
  319    HG   SER  45           HG       SER  45   7.954  -1.117  -6.917
  320    H    GLU  46           H        GLU  46   7.585  -3.763  -2.701
  321    HA   GLU  46           HA       GLU  46   4.977  -4.711  -2.750
  322   1HB   GLU  46          2HB       GLU  46   4.602  -4.937  -4.944
  323   2HB   GLU  46          1HB       GLU  46   6.297  -4.711  -5.336
  324   1HG   GLU  46          2HG       GLU  46   6.682  -7.110  -4.881
  325   2HG   GLU  46          1HG       GLU  46   4.962  -7.301  -4.544
  326    H    TYR  47           H        TYR  47   4.794  -6.669  -1.735
  327    HA   TYR  47           HA       TYR  47   6.874  -7.676  -0.239
  328   1HB   TYR  47          2HB       TYR  47   4.336  -8.066   0.001
  329   2HB   TYR  47          1HB       TYR  47   4.564  -9.389  -1.140
  330    HD1  TYR  47           1HD      TYR  47   6.584  -8.205   1.775
  331    HD2  TYR  47           2HD      TYR  47   4.409 -11.395  -0.013
  332    HE1  TYR  47           1HE      TYR  47   7.242  -9.684   3.626
  333    HE2  TYR  47           2HE      TYR  47   5.060 -12.882   1.833
  334    HH   TYR  47           HH       TYR  47   6.843 -13.049   3.522
  Start of MODEL   16
    1   1H    GLY   1          1HT       GLY   1  -9.751  -2.654  11.132
    2   2H    GLY   1          2HT       GLY   1 -11.204  -3.517  11.175
    3   3H    GLY   1          3HT       GLY   1 -11.228  -1.828  11.094
    4   1HA   GLY   1          1HA       GLY   1 -10.224  -3.658   8.982
    5   2HA   GLY   1          2HA       GLY   1 -11.751  -2.791   8.942
    6    H    SER   2           H        SER   2 -11.788  -0.847   8.008
    7    HA   SER   2           HA       SER   2 -11.068   0.942   6.792
    8   1HB   SER   2          2HB       SER   2  -9.415   2.381   7.917
    9   2HB   SER   2          1HB       SER   2 -10.622   1.782   9.054
   10    HG   SER   2           HG       SER   2  -9.068   0.890  10.129
   11    H    GLY   3           H        GLY   3 -10.192  -1.397   5.689
   12   1HA   GLY   3          2HA       GLY   3  -8.102  -0.558   4.025
   13   2HA   GLY   3          1HA       GLY   3  -7.413  -1.586   5.272
   14    H    GLU   4           H        GLU   4  -7.276  -2.265   2.586
   15    HA   GLU   4           HA       GLU   4  -7.648  -3.966   1.166
   16   1HB   GLU   4          2HB       GLU   4  -7.034  -5.649   2.463
   17   2HB   GLU   4          1HB       GLU   4  -7.996  -5.091   3.826
   18   1HG   GLU   4          2HG       GLU   4  -9.979  -6.153   2.811
   19   2HG   GLU   4          1HG       GLU   4  -8.963  -6.744   1.498
   20    H    VAL   5           H        VAL   5  -9.890  -2.011   1.931
   21    HA   VAL   5           HA       VAL   5 -12.228  -3.505   1.052
   22    HB   VAL   5           HB       VAL   5 -11.987  -0.567   1.710
   23   1HG1  VAL   5          1HG1      VAL   5 -14.421  -0.665   1.953
   24   2HG1  VAL   5          2HG1      VAL   5 -14.398  -2.360   1.467
   25   3HG1  VAL   5          3HG1      VAL   5 -13.910  -1.108   0.324
   26   1HG2  VAL   5          1HG2      VAL   5 -12.961  -2.797   3.492
   27   2HG2  VAL   5          2HG2      VAL   5 -12.865  -1.085   3.900
   28   3HG2  VAL   5          3HG2      VAL   5 -11.389  -2.012   3.628
   29    H    ASN   6           H        ASN   6  -9.754  -1.427  -0.147
   30    HA   ASN   6           HA       ASN   6  -9.285  -0.560  -2.185
   31   1HB   ASN   6          2HB       ASN   6  -9.540  -2.890  -2.863
   32   2HB   ASN   6          1HB       ASN   6 -11.277  -2.664  -3.066
   33   1HD2  ASN   6          1HD2      ASN   6  -9.063  -3.435  -4.911
   34   2HD2  ASN   6          2HD2      ASN   6  -9.225  -2.364  -6.260
   35    H    LYS   7           H        LYS   7 -10.240   1.404  -1.486
   36    HA   LYS   7           HA       LYS   7 -12.558   2.232  -3.030
   37   1HB   LYS   7          2HB       LYS   7 -13.631   3.151  -1.031
   38   2HB   LYS   7          1HB       LYS   7 -13.366   1.425  -0.809
   39   1HG   LYS   7          2HG       LYS   7 -11.148   2.141   0.334
   40   2HG   LYS   7          1HG       LYS   7 -11.928   3.725   0.450
   41   1HD   LYS   7          2HD       LYS   7 -13.805   2.735   1.656
   42   2HD   LYS   7          1HD       LYS   7 -13.059   1.142   1.524
   43   1HE   LYS   7          2HE       LYS   7 -12.691   2.199   3.727
   44   2HE   LYS   7          1HE       LYS   7 -11.190   1.855   2.869
   45   1HZ   LYS   7          1HZ       LYS   7 -11.049   4.158   2.217
   46   2HZ   LYS   7          2HZ       LYS   7 -11.193   4.058   3.900
   47   3HZ   LYS   7          3HZ       LYS   7 -12.528   4.505   2.964
   48    H    ILE   8           H        ILE   8 -12.485   4.690  -1.149
   49    HA   ILE   8           HA       ILE   8 -10.588   6.217  -2.577
   50    HB   ILE   8           HB       ILE   8 -12.747   6.900  -1.357
   51   1HG1  ILE   8          2HG1      ILE   8 -11.267   8.458  -2.563
   52   2HG1  ILE   8          1HG1      ILE   8 -11.987   9.210  -1.143
   53   1HG2  ILE   8          1HG2      ILE   8 -10.812   7.139   0.932
   54   2HG2  ILE   8          2HG2      ILE   8 -12.243   6.111   0.853
   55   3HG2  ILE   8          3HG2      ILE   8 -12.419   7.866   0.891
   56   1HD1  ILE   8          1HD1      ILE   8  -9.794   9.915  -1.055
   57   2HD1  ILE   8          2HD1      ILE   8  -9.164   8.366  -1.607
   58   3HD1  ILE   8          3HD1      ILE   8  -9.793   8.527   0.032
   59    H    ILE   9           H        ILE   9  -8.443   6.639  -2.086
   60    HA   ILE   9           HA       ILE   9  -7.485   5.936   0.557
   61    HB   ILE   9           HB       ILE   9  -5.672   4.761  -1.314
   62   1HG1  ILE   9          2HG1      ILE   9  -7.082   2.705  -1.715
   63   2HG1  ILE   9          1HG1      ILE   9  -8.479   3.698  -1.322
   64   1HG2  ILE   9          1HG2      ILE   9  -6.266   2.795   0.306
   65   2HG2  ILE   9          2HG2      ILE   9  -6.958   4.113   1.243
   66   3HG2  ILE   9          3HG2      ILE   9  -5.249   4.144   0.792
   67   1HD1  ILE   9          1HD1      ILE   9  -7.964   3.427  -3.764
   68   2HD1  ILE   9          2HD1      ILE   9  -6.518   4.399  -3.487
   69   3HD1  ILE   9          3HD1      ILE   9  -8.116   5.089  -3.201
   70    H    GLY  10           H        GLY  10  -5.032   6.054   0.619
   71   1HA   GLY  10          2HA       GLY  10  -4.135   8.505  -0.755
   72   2HA   GLY  10          1HA       GLY  10  -3.960   8.342   0.991
   73    H    SER  11           H        SER  11  -1.721   8.720  -0.695
   74    HA   SER  11           HA       SER  11  -0.279   6.303  -0.122
   75   1HB   SER  11          2HB       SER  11   0.558   6.345  -2.607
   76   2HB   SER  11          1HB       SER  11  -0.971   5.551  -2.227
   77    HG   SER  11           HG       SER  11  -0.474   7.763  -3.740
   78    H    ARG  12           H        ARG  12   1.325   7.366   1.077
   79    HA   ARG  12           HA       ARG  12   3.271   8.742  -0.539
   80   1HB   ARG  12          2HB       ARG  12   1.800  10.607  -0.133
   81   2HB   ARG  12          1HB       ARG  12   1.809  10.287   1.597
   82   1HG   ARG  12          2HG       ARG  12   4.143  10.879   1.735
   83   2HG   ARG  12          1HG       ARG  12   4.224  11.082  -0.016
   84   1HD   ARG  12          2HD       ARG  12   4.022  13.216   1.254
   85   2HD   ARG  12          1HD       ARG  12   2.749  12.962   0.066
   86    HE   ARG  12           HE       ARG  12   2.477  12.952   2.964
   87   1HH1  ARG  12          1HH1      ARG  12   0.963  12.361  -0.136
   88   2HH1  ARG  12          2HH1      ARG  12  -0.643  12.483   0.494
   89   1HH2  ARG  12          1HH2      ARG  12   0.361  13.108   3.779
   90   2HH2  ARG  12          2HH2      ARG  12  -0.986  12.903   2.710
   91    H    THR  13           H        THR  13   4.859   7.155   0.235
   92    HA   THR  13           HA       THR  13   5.419   7.518   3.059
   93    HB   THR  13           HB       THR  13   6.915   5.405   1.785
   94    HG1  THR  13           1HG      THR  13   5.239   4.261   1.077
   95   1HG2  THR  13          1HG2      THR  13   5.310   5.766   4.280
   96   2HG2  THR  13          2HG2      THR  13   7.054   5.566   4.113
   97   3HG2  THR  13          3HG2      THR  13   5.978   4.202   3.813
   98    H    ALA  14           H        ALA  14   7.700   6.574   0.519
   99    HA   ALA  14           HA       ALA  14   9.270   8.975   1.037
  100   1HB   ALA  14          1HB       ALA  14  10.428   6.264   1.650
  101   2HB   ALA  14          2HB       ALA  14   9.931   7.460   2.849
  102   3HB   ALA  14          3HB       ALA  14  11.265   7.814   1.751
  103    H    GLY  15           H        GLY  15   9.617   5.717  -0.381
  104   1HA   GLY  15          2HA       GLY  15   9.586   5.688  -2.890
  105   2HA   GLY  15          1HA       GLY  15  10.728   7.022  -2.800
  106    H    GLU  16           H        GLU  16  12.335   6.102  -0.718
  107    HA   GLU  16           HA       GLU  16  14.045   4.297  -2.115
  108   1HB   GLU  16          2HB       GLU  16  14.128   5.457   0.671
  109   2HB   GLU  16          1HB       GLU  16  15.405   4.441   0.005
  110   1HG   GLU  16          2HG       GLU  16  15.780   6.071  -1.769
  111   2HG   GLU  16          1HG       GLU  16  14.489   7.080  -1.118
  112    H    GLY  17           H        GLY  17  11.334   3.781  -0.217
  113   1HA   GLY  17          2HA       GLY  17  11.910   0.955   0.022
  114   2HA   GLY  17          1HA       GLY  17  11.612   1.805   1.537
  115    H    ALA  18           H        ALA  18   9.669   3.482   1.109
  116    HA   ALA  18           HA       ALA  18   7.532   2.076  -0.235
  117   1HB   ALA  18          1HB       ALA  18   5.955   2.301   1.507
  118   2HB   ALA  18          2HB       ALA  18   7.045   3.370   2.408
  119   3HB   ALA  18          3HB       ALA  18   7.424   1.653   2.252
  120    H    MET  19           H        MET  19   5.797   3.496  -1.012
  121    HA   MET  19           HA       MET  19   6.255   6.335  -0.625
  122   1HB   MET  19          2HB       MET  19   7.610   5.194  -2.682
  123   2HB   MET  19          1HB       MET  19   6.126   5.667  -3.499
  124   1HG   MET  19          2HG       MET  19   6.426   7.954  -2.787
  125   2HG   MET  19          1HG       MET  19   7.858   7.496  -1.874
  126   1HE   MET  19          1HE       MET  19   7.788   9.880  -4.069
  127   2HE   MET  19          2HE       MET  19   9.359   9.595  -4.819
  128   3HE   MET  19          3HE       MET  19   9.176   9.448  -3.071
  129    H    GLU  20           H        GLU  20   4.034   4.087  -0.661
  130    HA   GLU  20           HA       GLU  20   1.946   5.957  -1.305
  131   1HB   GLU  20          2HB       GLU  20   2.045   3.297  -2.737
  132   2HB   GLU  20          1HB       GLU  20   0.699   4.415  -2.774
  133   1HG   GLU  20          2HG       GLU  20   2.579   6.037  -3.678
  134   2HG   GLU  20          1HG       GLU  20   3.362   4.504  -4.110
  135    H    TYR  21           H        TYR  21  -0.283   4.528  -0.872
  136    HA   TYR  21           HA       TYR  21   0.120   2.554   1.132
  137   1HB   TYR  21          2HB       TYR  21   0.386   4.058   2.744
  138   2HB   TYR  21          1HB       TYR  21  -0.333   5.346   1.826
  139    HD1  TYR  21           1HD      TYR  21  -2.203   6.356   2.871
  140    HD2  TYR  21           2HD      TYR  21  -1.412   2.204   3.464
  141    HE1  TYR  21           1HE      TYR  21  -4.205   6.162   4.288
  142    HE2  TYR  21           2HE      TYR  21  -3.372   2.020   4.895
  143    HH   TYR  21           HH       TYR  21  -5.748   4.475   5.104
  144    H    LEU  22           H        LEU  22  -1.582   3.352  -1.378
  145    HA   LEU  22           HA       LEU  22  -4.162   2.930  -0.214
  146   1HB   LEU  22          2HB       LEU  22  -5.019   3.347  -2.464
  147   2HB   LEU  22          1HB       LEU  22  -3.889   4.598  -1.976
  148    HG   LEU  22           HG       LEU  22  -2.201   2.948  -3.278
  149   1HD1  LEU  22          1HD1      LEU  22  -3.270   2.169  -5.324
  150   2HD1  LEU  22          2HD1      LEU  22  -4.840   2.690  -4.711
  151   3HD1  LEU  22          3HD1      LEU  22  -3.967   1.386  -3.906
  152   1HD2  LEU  22          1HD2      LEU  22  -3.935   5.133  -4.418
  153   2HD2  LEU  22          2HD2      LEU  22  -2.522   4.463  -5.233
  154   3HD2  LEU  22          3HD2      LEU  22  -2.336   5.299  -3.692
  155    H    ILE  23           H        ILE  23  -5.181   1.293   0.075
  156    HA   ILE  23           HA       ILE  23  -4.654  -1.214  -0.439
  157    HB   ILE  23           HB       ILE  23  -6.511  -0.777   0.888
  158   1HG1  ILE  23          2HG1      ILE  23  -8.104  -2.336   0.211
  159   2HG1  ILE  23          1HG1      ILE  23  -7.907  -1.975  -1.492
  160   1HG2  ILE  23          1HG2      ILE  23  -7.359   0.886  -1.356
  161   2HG2  ILE  23          2HG2      ILE  23  -7.510   1.132   0.382
  162   3HG2  ILE  23          3HG2      ILE  23  -8.645   0.087  -0.463
  163   1HD1  ILE  23          1HD1      ILE  23  -5.727  -3.219   0.135
  164   2HD1  ILE  23          2HD1      ILE  23  -5.920  -3.175  -1.605
  165   3HD1  ILE  23          3HD1      ILE  23  -6.989  -4.170  -0.644
  166    H    GLU  24           H        GLU  24  -7.357  -0.612  -2.544
  167    HA   GLU  24           HA       GLU  24  -7.597  -1.364  -4.721
  168   1HB   GLU  24          2HB       GLU  24  -6.878   1.123  -4.561
  169   2HB   GLU  24          1HB       GLU  24  -5.341   0.560  -5.199
  170   1HG   GLU  24          2HG       GLU  24  -6.734   1.406  -6.981
  171   2HG   GLU  24          1HG       GLU  24  -6.474  -0.326  -7.177
  172    H    TRP  25           H        TRP  25  -5.663  -3.032  -3.283
  173    HA   TRP  25           HA       TRP  25  -4.080  -3.978  -5.526
  174   1HB   TRP  25          2HB       TRP  25  -2.263  -4.588  -3.753
  175   2HB   TRP  25          1HB       TRP  25  -2.309  -2.975  -4.433
  176    HD1  TRP  25           HD       TRP  25  -4.328  -4.306  -1.314
  177    HE1  TRP  25           1HE      TRP  25  -3.690  -2.788   0.678
  178    HE3  TRP  25           3HE      TRP  25  -0.798  -1.279  -3.526
  179    HZ2  TRP  25           2HZ      TRP  25  -2.023  -0.663   1.253
  180    HZ3  TRP  25           3HZ      TRP  25   0.333   0.430  -2.113
  181    HH2  TRP  25           HH       TRP  25  -0.297   0.759   0.203
  182    H    LYS  26           H        LYS  26  -6.572  -4.855  -4.379
  183    HA   LYS  26           HA       LYS  26  -7.647  -6.764  -3.779
  184   1HB   LYS  26          2HB       LYS  26  -5.195  -8.212  -4.767
  185   2HB   LYS  26          1HB       LYS  26  -6.858  -8.779  -4.769
  186   1HG   LYS  26          2HG       LYS  26  -5.764  -6.528  -6.445
  187   2HG   LYS  26          1HG       LYS  26  -6.116  -8.163  -7.006
  188   1HD   LYS  26          2HD       LYS  26  -8.292  -6.643  -5.665
  189   2HD   LYS  26          1HD       LYS  26  -7.843  -6.175  -7.306
  190   1HE   LYS  26          2HE       LYS  26  -9.662  -7.799  -7.322
  191   2HE   LYS  26          1HE       LYS  26  -8.211  -8.465  -8.067
  192   1HZ   LYS  26          1HZ       LYS  26  -7.773  -9.763  -6.162
  193   2HZ   LYS  26          2HZ       LYS  26  -9.415  -9.980  -6.506
  194   3HZ   LYS  26          3HZ       LYS  26  -8.945  -8.962  -5.240
  195    H    ASP  27           H        ASP  27  -5.893  -5.503  -1.807
  196    HA   ASP  27           HA       ASP  27  -4.872  -5.906   0.206
  197   1HB   ASP  27          2HB       ASP  27  -6.176  -7.378   1.664
  198   2HB   ASP  27          1HB       ASP  27  -7.234  -6.374   0.678
  199    H    GLY  28           H        GLY  28  -3.472  -7.202  -1.916
  200   1HA   GLY  28          2HA       GLY  28  -2.885  -9.873  -1.645
  201   2HA   GLY  28          1HA       GLY  28  -1.691  -8.669  -2.094
  202    H    HIS  29           H        HIS  29  -1.169  -7.252   0.094
  203    HA   HIS  29           HA       HIS  29  -0.733  -9.138   2.255
  204   1HB   HIS  29          2HB       HIS  29   1.528  -7.459   1.026
  205   2HB   HIS  29          1HB       HIS  29   1.611  -8.295   2.578
  206    HD1  HIS  29           1HD      HIS  29   1.159  -9.078  -1.098
  207    HD2  HIS  29           2HD      HIS  29   2.346 -10.909   2.438
  208    HE1  HIS  29           1HE      HIS  29   2.029 -11.340  -1.772
  209    HE2  HIS  29           2HE      HIS  29   2.834 -12.388   0.373
  210    H    SER  30           H        SER  30  -2.267  -8.159   3.413
  211    HA   SER  30           HA       SER  30  -3.334  -6.627   4.713
  212   1HB   SER  30          2HB       SER  30  -1.390  -7.370   6.027
  213   2HB   SER  30          1HB       SER  30  -0.479  -5.982   5.410
  214    HG   SER  30           HG       SER  30  -1.327  -5.404   7.380
  215    HA   PRO  31           HA       PRO  31  -3.850  -2.505   2.496
  216   1HB   PRO  31          2HB       PRO  31  -4.849  -1.790   5.152
  217   2HB   PRO  31          1HB       PRO  31  -5.731  -1.873   3.630
  218   1HG   PRO  31          2HG       PRO  31  -5.550  -3.860   5.780
  219   2HG   PRO  31          1HG       PRO  31  -6.716  -3.759   4.460
  220   1HD   PRO  31          2HD       PRO  31  -4.901  -5.714   4.547
  221   2HD   PRO  31          1HD       PRO  31  -5.357  -4.975   2.997
  222    H    SER  32           H        SER  32  -1.746  -1.964   2.371
  223    HA   SER  32           HA       SER  32  -0.410  -1.203   4.888
  224   1HB   SER  32          2HB       SER  32   0.656  -2.603   2.461
  225   2HB   SER  32          1HB       SER  32   1.728  -1.749   3.570
  226    HG   SER  32           HG       SER  32   1.620  -3.437   4.797
  227    H    TRP  33           H        TRP  33   1.514   0.095   4.549
  228    HA   TRP  33           HA       TRP  33   0.927   2.284   2.721
  229   1HB   TRP  33          2HB       TRP  33   1.091   2.591   5.264
  230   2HB   TRP  33          1HB       TRP  33   2.819   2.285   5.102
  231    HD1  TRP  33           HD       TRP  33   4.085   4.058   3.369
  232    HE1  TRP  33           1HE      TRP  33   3.733   6.594   3.155
  233    HE3  TRP  33           3HE      TRP  33  -0.499   4.442   5.572
  234    HZ2  TRP  33           2HZ      TRP  33   1.769   8.512   3.805
  235    HZ3  TRP  33           3HZ      TRP  33  -1.556   6.661   5.724
  236    HH2  TRP  33           HH       TRP  33  -0.445   8.653   4.843
  237    H    VAL  34           H        VAL  34   1.867   1.800   0.908
  238    HA   VAL  34           HA       VAL  34   4.708   1.096   0.703
  239    HB   VAL  34           HB       VAL  34   3.506  -1.101   0.914
  240   1HG1  VAL  34          1HG1      VAL  34   1.901  -0.837  -1.431
  241   2HG1  VAL  34          2HG1      VAL  34   1.497   0.358  -0.237
  242   3HG1  VAL  34          3HG1      VAL  34   1.461  -1.339   0.195
  243   1HG2  VAL  34          1HG2      VAL  34   4.146  -0.521  -1.949
  244   2HG2  VAL  34          2HG2      VAL  34   3.932  -2.104  -1.250
  245   3HG2  VAL  34          3HG2      VAL  34   5.263  -1.093  -0.727
  246    HA   PRO  35           HA       PRO  35   4.644   3.513  -3.030
  247   1HB   PRO  35          2HB       PRO  35   6.021   1.239  -4.312
  248   2HB   PRO  35          1HB       PRO  35   6.523   2.933  -4.232
  249   1HG   PRO  35          2HG       PRO  35   7.744   1.143  -2.721
  250   2HG   PRO  35          1HG       PRO  35   7.244   2.680  -1.998
  251   1HD   PRO  35          2HD       PRO  35   5.936   0.036  -1.987
  252   2HD   PRO  35          1HD       PRO  35   6.233   1.065  -0.589
  253    H    SER  36           H        SER  36   3.033   0.497  -3.057
  254    HA   SER  36           HA       SER  36   1.229   1.112  -5.024
  255   1HB   SER  36          2HB       SER  36   3.752   0.048  -6.148
  256   2HB   SER  36          1HB       SER  36   2.257  -0.597  -6.823
  257    HG   SER  36           HG       SER  36   2.555   2.177  -6.502
  258    H    SER  37           H        SER  37   2.723  -1.346  -3.093
  259    HA   SER  37           HA       SER  37   0.312  -2.955  -3.482
  260   1HB   SER  37          2HB       SER  37   3.140  -4.002  -3.495
  261   2HB   SER  37          1HB       SER  37   1.716  -5.025  -3.327
  262    HG   SER  37           HG       SER  37   1.010  -4.194  -5.360
  263    H    TYR  38           H        TYR  38   3.131  -3.837  -1.538
  264    HA   TYR  38           HA       TYR  38   2.272  -2.859   0.967
  265   1HB   TYR  38          2HB       TYR  38   1.871  -5.572   1.446
  266   2HB   TYR  38          1HB       TYR  38   0.652  -4.314   1.514
  267    HD1  TYR  38           1HD      TYR  38  -1.144  -4.415   0.108
  268    HD2  TYR  38           2HD      TYR  38   2.322  -6.643  -0.843
  269    HE1  TYR  38           1HE      TYR  38  -2.380  -5.508  -1.726
  270    HE2  TYR  38           2HE      TYR  38   1.116  -7.741  -2.700
  271    HH   TYR  38           HH       TYR  38  -1.235  -8.261  -3.306
  272    H    ILE  39           H        ILE  39   4.351  -2.575   1.576
  273    HA   ILE  39           HA       ILE  39   6.140  -4.878   1.417
  274    HB   ILE  39           HB       ILE  39   7.893  -3.717   0.438
  275   1HG1  ILE  39          2HG1      ILE  39   8.241  -1.722   1.578
  276   2HG1  ILE  39          1HG1      ILE  39   7.681  -1.155   0.025
  277   1HG2  ILE  39          1HG2      ILE  39   6.651  -4.037  -1.375
  278   2HG2  ILE  39          2HG2      ILE  39   6.601  -2.275  -1.400
  279   3HG2  ILE  39          3HG2      ILE  39   5.265  -3.188  -0.717
  280   1HD1  ILE  39          1HD1      ILE  39   6.503   0.171   1.432
  281   2HD1  ILE  39          2HD1      ILE  39   6.310  -1.082   2.649
  282   3HD1  ILE  39          3HD1      ILE  39   5.371  -1.133   1.177
  283    H    ALA  40           H        ALA  40   5.007  -4.728   3.572
  284    HA   ALA  40           HA       ALA  40   5.674  -2.862   5.502
  285   1HB   ALA  40          1HB       ALA  40   4.728  -4.339   6.963
  286   2HB   ALA  40          2HB       ALA  40   5.422  -5.742   6.147
  287   3HB   ALA  40          3HB       ALA  40   4.072  -4.875   5.413
  288    H    ALA  41           H        ALA  41   7.733  -2.222   5.409
  289    HA   ALA  41           HA       ALA  41   9.689  -3.179   7.010
  290   1HB   ALA  41          1HB       ALA  41  11.319  -4.202   5.375
  291   2HB   ALA  41          2HB       ALA  41   9.974  -4.351   4.244
  292   3HB   ALA  41          3HB       ALA  41   9.931  -5.209   5.784
  293    H    ASP  42           H        ASP  42   8.860  -1.693   3.973
  294    HA   ASP  42           HA       ASP  42   9.290   0.393   3.171
  295   1HB   ASP  42          2HB       ASP  42  11.229   0.766   5.458
  296   2HB   ASP  42          1HB       ASP  42  10.520   2.019   4.446
  297    H    VAL  43           H        VAL  43  10.438  -1.589   1.851
  298    HA   VAL  43           HA       VAL  43  12.932  -0.378   0.975
  299    HB   VAL  43           HB       VAL  43  13.024  -3.304   1.652
  300   1HG1  VAL  43          1HG1      VAL  43  14.720  -2.713   0.128
  301   2HG1  VAL  43          2HG1      VAL  43  15.503  -2.750   1.707
  302   3HG1  VAL  43          3HG1      VAL  43  15.066  -1.206   0.975
  303   1HG2  VAL  43          1HG2      VAL  43  13.906  -1.018   3.412
  304   2HG2  VAL  43          2HG2      VAL  43  14.239  -2.726   3.700
  305   3HG2  VAL  43          3HG2      VAL  43  12.579  -2.134   3.737
  306    H    VAL  44           H        VAL  44  10.170  -1.096  -0.157
  307    HA   VAL  44           HA       VAL  44  11.188  -2.089  -2.682
  308    HB   VAL  44           HB       VAL  44   8.896  -3.656  -1.557
  309   1HG1  VAL  44          1HG1      VAL  44   9.462  -5.245  -3.227
  310   2HG1  VAL  44          2HG1      VAL  44  11.011  -4.463  -3.543
  311   3HG1  VAL  44          3HG1      VAL  44   9.510  -3.662  -4.002
  312   1HG2  VAL  44          1HG2      VAL  44  10.727  -3.910   0.061
  313   2HG2  VAL  44          2HG2      VAL  44  11.801  -4.413  -1.243
  314   3HG2  VAL  44          3HG2      VAL  44  10.409  -5.407  -0.815
  315    H    SER  45           H        SER  45   9.805  -1.793  -4.435
  316    HA   SER  45           HA       SER  45   7.723   0.162  -4.109
  317   1HB   SER  45          2HB       SER  45   9.291   0.308  -5.996
  318   2HB   SER  45          1HB       SER  45   8.695  -1.239  -6.594
  319    HG   SER  45           HG       SER  45   7.688   1.206  -6.991
  320    H    GLU  46           H        GLU  46   7.708  -3.075  -3.728
  321    HA   GLU  46           HA       GLU  46   4.966  -3.363  -3.582
  322   1HB   GLU  46          2HB       GLU  46   4.763  -3.022  -5.898
  323   2HB   GLU  46          1HB       GLU  46   6.127  -4.067  -6.262
  324   1HG   GLU  46          2HG       GLU  46   3.804  -5.312  -4.918
  325   2HG   GLU  46          1HG       GLU  46   3.605  -4.831  -6.601
  326    H    TYR  47           H        TYR  47   4.256  -5.512  -3.040
  327    HA   TYR  47           HA       TYR  47   6.430  -7.476  -2.708
  328   1HB   TYR  47          2HB       TYR  47   5.716  -6.361  -0.537
  329   2HB   TYR  47          1HB       TYR  47   4.151  -7.169  -0.717
  330    HD1  TYR  47           1HD      TYR  47   7.742  -7.647  -0.065
  331    HD2  TYR  47           2HD      TYR  47   3.949  -9.549  -0.376
  332    HE1  TYR  47           1HE      TYR  47   8.667  -9.655   1.012
  333    HE2  TYR  47           2HE      TYR  47   4.862 -11.561   0.701
  334    HH   TYR  47           HH       TYR  47   7.869 -11.596   2.281
  Start of MODEL   17
    1   1H    GLY   1          1HT       GLY   1 -10.813  -0.014  11.487
    2   2H    GLY   1          2HT       GLY   1  -9.563  -1.154  11.455
    3   3H    GLY   1          3HT       GLY   1 -10.578  -0.973  10.114
    4   1HA   GLY   1          1HA       GLY   1  -9.745   1.244   9.714
    5   2HA   GLY   1          2HA       GLY   1  -8.731   1.111  11.143
    6    H    SER   2           H        SER   2  -9.326  -1.378   8.694
    7    HA   SER   2           HA       SER   2  -6.434  -1.453   8.203
    8   1HB   SER   2          2HB       SER   2  -6.851  -3.700   7.259
    9   2HB   SER   2          1HB       SER   2  -7.435  -3.570   8.918
   10    HG   SER   2           HG       SER   2  -9.106  -4.467   7.876
   11    H    GLY   3           H        GLY   3  -9.151  -2.413   6.141
   12   1HA   GLY   3          2HA       GLY   3  -9.681  -0.750   4.294
   13   2HA   GLY   3          1HA       GLY   3  -7.959  -0.808   3.972
   14    H    GLU   4           H        GLU   4  -7.344  -2.119   2.391
   15    HA   GLU   4           HA       GLU   4  -7.473  -3.681   0.751
   16   1HB   GLU   4          2HB       GLU   4  -7.008  -5.575   1.832
   17   2HB   GLU   4          1HB       GLU   4  -7.731  -4.940   3.293
   18   1HG   GLU   4          2HG       GLU   4  -9.919  -5.834   2.556
   19   2HG   GLU   4          1HG       GLU   4  -9.118  -6.548   1.157
   20    H    VAL   5           H        VAL   5  -9.793  -1.858   1.302
   21    HA   VAL   5           HA       VAL   5 -12.016  -3.442   0.297
   22    HB   VAL   5           HB       VAL   5 -12.079  -0.572   1.188
   23   1HG1  VAL   5          1HG1      VAL   5 -13.948  -1.221  -0.207
   24   2HG1  VAL   5          2HG1      VAL   5 -14.490  -1.009   1.458
   25   3HG1  VAL   5          3HG1      VAL   5 -14.247  -2.632   0.808
   26   1HG2  VAL   5          1HG2      VAL   5 -12.431  -3.094   2.780
   27   2HG2  VAL   5          2HG2      VAL   5 -13.113  -1.550   3.294
   28   3HG2  VAL   5          3HG2      VAL   5 -11.368  -1.725   3.109
   29    H    ASN   6           H        ASN   6  -9.649  -1.148  -0.677
   30    HA   ASN   6           HA       ASN   6  -9.237  -0.110  -2.657
   31   1HB   ASN   6          2HB       ASN   6  -9.550  -2.346  -3.556
   32   2HB   ASN   6          1HB       ASN   6 -11.293  -2.110  -3.632
   33   1HD2  ASN   6          1HD2      ASN   6  -9.050  -2.650  -5.596
   34   2HD2  ASN   6          2HD2      ASN   6  -9.347  -1.519  -6.877
   35    H    LYS   7           H        LYS   7 -10.411   1.476  -1.210
   36    HA   LYS   7           HA       LYS   7 -12.618   2.720  -2.688
   37   1HB   LYS   7          2HB       LYS   7 -13.645   3.273  -0.503
   38   2HB   LYS   7          1HB       LYS   7 -13.527   1.532  -0.736
   39   1HG   LYS   7          2HG       LYS   7 -11.289   1.728   0.566
   40   2HG   LYS   7          1HG       LYS   7 -11.927   3.295   1.075
   41   1HD   LYS   7          2HD       LYS   7 -13.470   0.733   1.389
   42   2HD   LYS   7          1HD       LYS   7 -12.417   1.392   2.643
   43   1HE   LYS   7          2HE       LYS   7 -13.748   3.461   2.637
   44   2HE   LYS   7          1HE       LYS   7 -14.812   2.758   1.418
   45   1HZ   LYS   7          1HZ       LYS   7 -14.392   1.716   4.168
   46   2HZ   LYS   7          2HZ       LYS   7 -15.395   1.016   2.999
   47   3HZ   LYS   7          3HZ       LYS   7 -15.760   2.547   3.619
   48    H    ILE   8           H        ILE   8 -12.385   4.678  -0.155
   49    HA   ILE   8           HA       ILE   8 -10.912   6.695  -1.218
   50    HB   ILE   8           HB       ILE   8 -12.261   6.816   0.873
   51   1HG1  ILE   8          2HG1      ILE   8 -10.925   8.555   1.916
   52   2HG1  ILE   8          1HG1      ILE   8  -9.458   7.904   1.194
   53   1HG2  ILE   8          1HG2      ILE   8 -11.588   6.000   2.903
   54   2HG2  ILE   8          2HG2      ILE   8  -9.880   6.019   2.465
   55   3HG2  ILE   8          3HG2      ILE   8 -10.938   4.764   1.825
   56   1HD1  ILE   8          1HD1      ILE   8 -10.264   9.911   0.049
   57   2HD1  ILE   8          2HD1      ILE   8 -11.770   9.076  -0.335
   58   3HD1  ILE   8          3HD1      ILE   8 -10.245   8.502  -1.011
   59    H    ILE   9           H        ILE   9  -8.956   6.486  -2.096
   60    HA   ILE   9           HA       ILE   9  -6.999   4.808  -0.716
   61    HB   ILE   9           HB       ILE   9  -5.812   5.078  -3.061
   62   1HG1  ILE   9          2HG1      ILE   9  -8.738   5.456  -3.724
   63   2HG1  ILE   9          1HG1      ILE   9  -7.453   6.625  -4.020
   64   1HG2  ILE   9          1HG2      ILE   9  -6.332   3.000  -2.142
   65   2HG2  ILE   9          2HG2      ILE   9  -6.999   3.028  -3.773
   66   3HG2  ILE   9          3HG2      ILE   9  -8.066   3.240  -2.381
   67   1HD1  ILE   9          1HD1      ILE   9  -6.452   5.222  -5.653
   68   2HD1  ILE   9          2HD1      ILE   9  -8.177   5.313  -6.012
   69   3HD1  ILE   9          3HD1      ILE   9  -7.512   3.878  -5.230
   70    H    GLY  10           H        GLY  10  -5.691   5.824   0.558
   71   1HA   GLY  10          2HA       GLY  10  -4.585   8.458  -0.210
   72   2HA   GLY  10          1HA       GLY  10  -4.699   7.855   1.447
   73    H    SER  11           H        SER  11  -2.267   8.656  -0.292
   74    HA   SER  11           HA       SER  11  -0.767   6.330   0.354
   75   1HB   SER  11          2HB       SER  11  -0.630   5.356  -1.654
   76   2HB   SER  11          1HB       SER  11  -1.907   6.443  -2.167
   77    HG   SER  11           HG       SER  11  -0.462   7.711  -3.147
   78    H    ARG  12           H        ARG  12   0.944   7.211   1.409
   79    HA   ARG  12           HA       ARG  12   2.746   8.850  -0.139
   80   1HB   ARG  12          2HB       ARG  12   1.219  10.574   0.640
   81   2HB   ARG  12          1HB       ARG  12   1.432  10.043   2.302
   82   1HG   ARG  12          2HG       ARG  12   2.718  12.060   1.813
   83   2HG   ARG  12          1HG       ARG  12   3.766  10.704   2.241
   84   1HD   ARG  12          2HD       ARG  12   4.358  10.346  -0.039
   85   2HD   ARG  12          1HD       ARG  12   3.130  11.478  -0.600
   86    HE   ARG  12           HE       ARG  12   5.742  12.115   0.465
   87   1HH1  ARG  12          1HH1      ARG  12   2.550  13.294  -0.297
   88   2HH1  ARG  12          2HH1      ARG  12   3.051  14.947  -0.414
   89   1HH2  ARG  12          1HH2      ARG  12   6.404  14.291   0.317
   90   2HH2  ARG  12          2HH2      ARG  12   5.237  15.513  -0.064
   91    H    THR  13           H        THR  13   4.476   7.372   0.282
   92    HA   THR  13           HA       THR  13   5.141   7.201   3.125
   93    HB   THR  13           HB       THR  13   6.312   5.182   1.341
   94    HG1  THR  13           1HG      THR  13   4.504   4.094   1.087
   95   1HG2  THR  13          1HG2      THR  13   5.860   3.793   3.414
   96   2HG2  THR  13          2HG2      THR  13   5.421   5.312   4.196
   97   3HG2  THR  13          3HG2      THR  13   7.051   5.084   3.566
   98    H    ALA  14           H        ALA  14   7.171   6.494   0.289
   99    HA   ALA  14           HA       ALA  14   8.905   8.705   1.032
  100   1HB   ALA  14          1HB       ALA  14   9.932   5.873   1.074
  101   2HB   ALA  14          2HB       ALA  14   9.649   6.885   2.489
  102   3HB   ALA  14          3HB       ALA  14  10.887   7.335   1.317
  103    H    GLY  15           H        GLY  15   8.980   5.709  -0.953
  104   1HA   GLY  15          2HA       GLY  15   8.709   6.053  -3.403
  105   2HA   GLY  15          1HA       GLY  15   9.732   7.468  -3.226
  106    H    GLU  16           H        GLU  16  11.823   6.606  -1.756
  107    HA   GLU  16           HA       GLU  16  13.408   5.241  -3.609
  108   1HB   GLU  16          2HB       GLU  16  13.778   5.626  -0.633
  109   2HB   GLU  16          1HB       GLU  16  15.015   4.968  -1.695
  110   1HG   GLU  16          2HG       GLU  16  13.787   7.704  -1.946
  111   2HG   GLU  16          1HG       GLU  16  15.349   7.348  -1.210
  112    H    GLY  17           H        GLY  17  11.177   4.099  -1.260
  113   1HA   GLY  17          2HA       GLY  17  11.791   1.346  -2.043
  114   2HA   GLY  17          1HA       GLY  17  11.745   1.738  -0.331
  115    H    ALA  18           H        ALA  18   9.630   3.239   0.098
  116    HA   ALA  18           HA       ALA  18   7.347   1.927  -1.151
  117   1HB   ALA  18          1HB       ALA  18   6.290   1.901   1.114
  118   2HB   ALA  18          2HB       ALA  18   7.868   2.330   1.767
  119   3HB   ALA  18          3HB       ALA  18   7.651   0.784   0.919
  120    H    MET  19           H        MET  19   5.411   3.316  -1.309
  121    HA   MET  19           HA       MET  19   5.563   5.984  -0.257
  122   1HB   MET  19          2HB       MET  19   7.155   5.691  -2.356
  123   2HB   MET  19          1HB       MET  19   5.669   6.084  -3.205
  124   1HG   MET  19          2HG       MET  19   6.409   7.828  -0.945
  125   2HG   MET  19          1HG       MET  19   7.419   7.913  -2.384
  126   1HE   MET  19          1HE       MET  19   5.233  11.103  -2.814
  127   2HE   MET  19          2HE       MET  19   6.867  10.441  -2.736
  128   3HE   MET  19          3HE       MET  19   5.851  10.453  -1.294
  129    H    GLU  20           H        GLU  20   3.445   3.810  -0.775
  130    HA   GLU  20           HA       GLU  20   1.362   5.687  -1.322
  131   1HB   GLU  20          2HB       GLU  20   1.165   3.284  -3.039
  132   2HB   GLU  20          1HB       GLU  20   0.460   4.867  -3.273
  133   1HG   GLU  20          2HG       GLU  20   2.746   5.714  -3.816
  134   2HG   GLU  20          1HG       GLU  20   3.336   4.048  -3.724
  135    H    TYR  21           H        TYR  21   0.447   5.227   0.563
  136    HA   TYR  21           HA       TYR  21   0.029   2.669   1.618
  137   1HB   TYR  21          2HB       TYR  21   0.336   4.303   3.193
  138   2HB   TYR  21          1HB       TYR  21  -0.561   5.488   2.303
  139    HD1  TYR  21           1HD      TYR  21  -2.456   6.277   3.415
  140    HD2  TYR  21           2HD      TYR  21  -1.260   2.221   3.920
  141    HE1  TYR  21           1HE      TYR  21  -4.380   5.886   4.902
  142    HE2  TYR  21           2HE      TYR  21  -3.151   1.830   5.406
  143    HH   TYR  21           HH       TYR  21  -5.753   3.969   5.688
  144    H    LEU  22           H        LEU  22  -1.538   3.889  -0.882
  145    HA   LEU  22           HA       LEU  22  -4.136   3.355   0.162
  146   1HB   LEU  22          2HB       LEU  22  -4.995   4.418  -1.642
  147   2HB   LEU  22          1HB       LEU  22  -3.523   5.276  -1.376
  148    HG   LEU  22           HG       LEU  22  -3.628   5.137  -3.687
  149   1HD1  LEU  22          1HD1      LEU  22  -1.966   3.365  -4.403
  150   2HD1  LEU  22          2HD1      LEU  22  -1.874   2.923  -2.706
  151   3HD1  LEU  22          3HD1      LEU  22  -1.441   4.549  -3.218
  152   1HD2  LEU  22          1HD2      LEU  22  -3.921   2.710  -4.726
  153   2HD2  LEU  22          2HD2      LEU  22  -5.272   3.796  -4.411
  154   3HD2  LEU  22          3HD2      LEU  22  -4.895   2.512  -3.276
  155    H    ILE  23           H        ILE  23  -5.266   1.801   0.104
  156    HA   ILE  23           HA       ILE  23  -4.804  -0.616  -0.797
  157    HB   ILE  23           HB       ILE  23  -7.200  -1.081  -0.695
  158   1HG1  ILE  23          2HG1      ILE  23  -7.749   1.225  -1.746
  159   2HG1  ILE  23          1HG1      ILE  23  -8.824   0.601  -0.503
  160   1HG2  ILE  23          1HG2      ILE  23  -5.940  -1.072   1.342
  161   2HG2  ILE  23          2HG2      ILE  23  -7.515  -0.333   1.639
  162   3HG2  ILE  23          3HG2      ILE  23  -6.082   0.682   1.470
  163   1HD1  ILE  23          1HD1      ILE  23  -7.454   2.017   1.131
  164   2HD1  ILE  23          2HD1      ILE  23  -8.551   2.847   0.032
  165   3HD1  ILE  23          3HD1      ILE  23  -6.824   2.820  -0.304
  166    H    GLU  24           H        GLU  24  -7.437  -0.803  -2.527
  167    HA   GLU  24           HA       GLU  24  -7.803  -1.126  -4.721
  168   1HB   GLU  24          2HB       GLU  24  -7.461   1.379  -4.701
  169   2HB   GLU  24          1HB       GLU  24  -5.799   1.077  -5.185
  170   1HG   GLU  24          2HG       GLU  24  -6.589   0.000  -7.231
  171   2HG   GLU  24          1HG       GLU  24  -8.256   0.299  -6.743
  172    H    TRP  25           H        TRP  25  -5.352  -2.283  -3.229
  173    HA   TRP  25           HA       TRP  25  -3.880  -3.074  -5.635
  174   1HB   TRP  25          2HB       TRP  25  -2.132  -3.847  -3.806
  175   2HB   TRP  25          1HB       TRP  25  -2.152  -2.208  -4.421
  176    HD1  TRP  25           HD       TRP  25  -4.571  -3.440  -1.641
  177    HE1  TRP  25           1HE      TRP  25  -3.991  -2.122   0.522
  178    HE3  TRP  25           3HE      TRP  25  -0.418  -0.901  -3.242
  179    HZ2  TRP  25           2HZ      TRP  25  -2.096  -0.264   1.393
  180    HZ3  TRP  25           3HZ      TRP  25   0.748   0.604  -1.647
  181    HH2  TRP  25           HH       TRP  25  -0.099   0.984   0.570
  182    H    LYS  26           H        LYS  26  -6.364  -4.155  -4.658
  183    HA   LYS  26           HA       LYS  26  -7.398  -6.157  -4.499
  184   1HB   LYS  26          2HB       LYS  26  -4.722  -7.045  -5.559
  185   2HB   LYS  26          1HB       LYS  26  -6.051  -8.164  -5.298
  186   1HG   LYS  26          2HG       LYS  26  -5.851  -7.389  -7.636
  187   2HG   LYS  26          1HG       LYS  26  -7.413  -7.020  -6.905
  188   1HD   LYS  26          2HD       LYS  26  -6.753  -4.727  -6.545
  189   2HD   LYS  26          1HD       LYS  26  -5.118  -5.072  -7.115
  190   1HE   LYS  26          2HE       LYS  26  -7.637  -5.277  -8.760
  191   2HE   LYS  26          1HE       LYS  26  -6.480  -3.950  -8.822
  192   1HZ   LYS  26          1HZ       LYS  26  -4.785  -5.537  -9.540
  193   2HZ   LYS  26          2HZ       LYS  26  -6.091  -5.494 -10.614
  194   3HZ   LYS  26          3HZ       LYS  26  -5.933  -6.781  -9.529
  195    H    ASP  27           H        ASP  27  -5.910  -5.072  -2.169
  196    HA   ASP  27           HA       ASP  27  -5.214  -5.709  -0.085
  197   1HB   ASP  27          2HB       ASP  27  -6.666  -7.343   0.992
  198   2HB   ASP  27          1HB       ASP  27  -7.615  -6.280  -0.043
  199    H    GLY  28           H        GLY  28  -3.613  -6.789  -2.257
  200   1HA   GLY  28          2HA       GLY  28  -2.977  -9.455  -2.123
  201   2HA   GLY  28          1HA       GLY  28  -1.789  -8.202  -2.416
  202    H    HIS  29           H        HIS  29  -1.373  -6.919  -0.121
  203    HA   HIS  29           HA       HIS  29  -1.098  -8.974   1.919
  204   1HB   HIS  29          2HB       HIS  29   1.261  -7.269   0.977
  205   2HB   HIS  29          1HB       HIS  29   1.246  -8.313   2.398
  206    HD1  HIS  29           1HD      HIS  29   0.845 -10.941   1.857
  207    HD2  HIS  29           2HD      HIS  29   2.004  -8.525  -1.320
  208    HE1  HIS  29           1HE      HIS  29   1.683 -12.516   0.086
  209    HE2  HIS  29           2HE      HIS  29   2.299 -11.037  -1.860
  210    H    SER  30           H        SER  30  -2.668  -7.990   3.052
  211    HA   SER  30           HA       SER  30  -3.703  -6.504   4.428
  212   1HB   SER  30          2HB       SER  30  -1.814  -7.374   5.751
  213   2HB   SER  30          1HB       SER  30  -0.840  -5.993   5.217
  214    HG   SER  30           HG       SER  30  -2.982  -6.091   7.019
  215    HA   PRO  31           HA       PRO  31  -3.881  -2.257   2.449
  216   1HB   PRO  31          2HB       PRO  31  -5.060  -1.554   5.015
  217   2HB   PRO  31          1HB       PRO  31  -5.844  -1.624   3.438
  218   1HG   PRO  31          2HG       PRO  31  -5.800  -3.628   5.600
  219   2HG   PRO  31          1HG       PRO  31  -6.948  -3.450   4.273
  220   1HD   PRO  31          2HD       PRO  31  -5.235  -5.489   4.322
  221   2HD   PRO  31          1HD       PRO  31  -5.607  -4.676   2.784
  222    H    SER  32           H        SER  32  -1.823  -1.589   2.534
  223    HA   SER  32           HA       SER  32  -0.620  -1.086   5.158
  224   1HB   SER  32          2HB       SER  32   0.774  -2.347   2.846
  225   2HB   SER  32          1HB       SER  32   1.535  -1.826   4.352
  226    HG   SER  32           HG       SER  32   0.178  -4.100   3.833
  227    H    TRP  33           H        TRP  33   0.949   0.496   5.330
  228    HA   TRP  33           HA       TRP  33   0.579   2.514   3.296
  229   1HB   TRP  33          2HB       TRP  33   0.477   3.012   5.769
  230   2HB   TRP  33          1HB       TRP  33   2.184   2.593   5.887
  231    HD1  TRP  33           HD       TRP  33   3.794   4.254   4.149
  232    HE1  TRP  33           1HE      TRP  33   3.572   6.800   3.870
  233    HE3  TRP  33           3HE      TRP  33  -0.936   4.921   5.978
  234    HZ2  TRP  33           2HZ      TRP  33   1.668   8.828   4.328
  235    HZ3  TRP  33           3HZ      TRP  33  -1.888   7.189   6.003
  236    HH2  TRP  33           HH       TRP  33  -0.613   9.101   5.174
  237    H    VAL  34           H        VAL  34   1.671   1.733   1.557
  238    HA   VAL  34           HA       VAL  34   4.536   1.541   1.786
  239    HB   VAL  34           HB       VAL  34   3.475  -0.956   0.629
  240   1HG1  VAL  34          1HG1      VAL  34   5.164  -1.392   2.846
  241   2HG1  VAL  34          2HG1      VAL  34   5.750   0.084   2.084
  242   3HG1  VAL  34          3HG1      VAL  34   5.623  -1.394   1.157
  243   1HG2  VAL  34          1HG2      VAL  34   1.818  -0.676   2.371
  244   2HG2  VAL  34          2HG2      VAL  34   3.112  -0.540   3.565
  245   3HG2  VAL  34          3HG2      VAL  34   2.897  -2.035   2.675
  246    HA   PRO  35           HA       PRO  35   4.239   2.402  -2.605
  247   1HB   PRO  35          2HB       PRO  35   5.995   0.978  -3.951
  248   2HB   PRO  35          1HB       PRO  35   6.494   2.039  -2.635
  249   1HG   PRO  35          2HG       PRO  35   6.221  -0.933  -2.686
  250   2HG   PRO  35          1HG       PRO  35   7.392   0.060  -1.809
  251   1HD   PRO  35          2HD       PRO  35   5.017  -1.072  -0.785
  252   2HD   PRO  35          1HD       PRO  35   6.073   0.102   0.003
  253    H    SER  36           H        SER  36   2.272   1.940  -3.487
  254    HA   SER  36           HA       SER  36   0.635   0.852  -4.690
  255   1HB   SER  36          2HB       SER  36   1.983   1.782  -6.460
  256   2HB   SER  36          1HB       SER  36   3.121   0.438  -6.364
  257    HG   SER  36           HG       SER  36   1.650  -0.886  -7.281
  258    H    SER  37           H        SER  37   1.855  -0.775  -2.660
  259    HA   SER  37           HA       SER  37   0.838  -3.284  -3.384
  260   1HB   SER  37          2HB       SER  37   3.805  -3.411  -2.905
  261   2HB   SER  37          1HB       SER  37   2.749  -4.614  -3.635
  262    HG   SER  37           HG       SER  37   2.667  -3.413  -5.491
  263    H    TYR  38           H        TYR  38   3.208  -4.233  -1.364
  264    HA   TYR  38           HA       TYR  38   2.602  -2.950   1.077
  265   1HB   TYR  38          2HB       TYR  38   1.523  -5.456   1.628
  266   2HB   TYR  38          1HB       TYR  38   0.631  -3.948   1.542
  267    HD1  TYR  38           1HD      TYR  38  -1.216  -3.958   0.228
  268    HD2  TYR  38           2HD      TYR  38   2.033  -6.473  -0.850
  269    HE1  TYR  38           1HE      TYR  38  -2.548  -4.856  -1.639
  270    HE2  TYR  38           2HE      TYR  38   0.714  -7.371  -2.740
  271    HH   TYR  38           HH       TYR  38  -1.785  -7.627  -3.274
  272    H    ILE  39           H        ILE  39   4.688  -3.099   1.597
  273    HA   ILE  39           HA       ILE  39   5.942  -5.709   1.448
  274    HB   ILE  39           HB       ILE  39   7.601  -5.007   0.165
  275   1HG1  ILE  39          2HG1      ILE  39   8.847  -3.875   1.854
  276   2HG1  ILE  39          1HG1      ILE  39   8.827  -2.852   0.440
  277   1HG2  ILE  39          1HG2      ILE  39   5.846  -2.590  -0.087
  278   2HG2  ILE  39          2HG2      ILE  39   5.781  -4.040  -1.053
  279   3HG2  ILE  39          3HG2      ILE  39   7.179  -2.954  -1.177
  280   1HD1  ILE  39          1HD1      ILE  39   6.821  -2.375   2.583
  281   2HD1  ILE  39          2HD1      ILE  39   7.544  -1.254   1.448
  282   3HD1  ILE  39          3HD1      ILE  39   8.479  -1.853   2.814
  283    H    ALA  40           H        ALA  40   4.628  -4.642   3.734
  284    HA   ALA  40           HA       ALA  40   6.364  -3.330   5.482
  285   1HB   ALA  40          1HB       ALA  40   3.937  -3.636   5.766
  286   2HB   ALA  40          2HB       ALA  40   4.889  -3.949   7.220
  287   3HB   ALA  40          3HB       ALA  40   4.250  -5.295   6.274
  288    H    ALA  41           H        ALA  41   8.369  -4.071   5.446
  289    HA   ALA  41           HA       ALA  41   9.396  -5.791   7.249
  290   1HB   ALA  41          1HB       ALA  41   8.315  -7.701   6.323
  291   2HB   ALA  41          2HB       ALA  41  10.011  -7.807   5.851
  292   3HB   ALA  41          3HB       ALA  41   8.804  -7.265   4.685
  293    H    ASP  42           H        ASP  42   9.554  -4.537   3.996
  294    HA   ASP  42           HA       ASP  42  12.043  -3.296   4.347
  295   1HB   ASP  42          2HB       ASP  42  13.408  -4.642   2.761
  296   2HB   ASP  42          1HB       ASP  42  13.007  -5.512   4.237
  297    H    VAL  43           H        VAL  43  11.322  -1.523   3.331
  298    HA   VAL  43           HA       VAL  43   9.588  -1.257   1.231
  299    HB   VAL  43           HB       VAL  43  10.454   0.957   0.871
  300   1HG1  VAL  43          1HG1      VAL  43  10.582   0.216   3.787
  301   2HG1  VAL  43          2HG1      VAL  43   9.110   0.547   2.875
  302   3HG1  VAL  43          3HG1      VAL  43  10.295   1.828   3.131
  303   1HG2  VAL  43          1HG2      VAL  43  12.506   1.698   2.055
  304   2HG2  VAL  43          2HG2      VAL  43  12.818   0.503   0.796
  305   3HG2  VAL  43          3HG2      VAL  43  12.817   0.019   2.491
  306    H    VAL  44           H        VAL  44   9.544  -1.668  -0.874
  307    HA   VAL  44           HA       VAL  44  11.753  -1.349  -2.550
  308    HB   VAL  44           HB       VAL  44  12.391  -3.344  -1.205
  309   1HG1  VAL  44          1HG1      VAL  44  10.430  -4.789  -2.971
  310   2HG1  VAL  44          2HG1      VAL  44  10.170  -4.434  -1.264
  311   3HG1  VAL  44          3HG1      VAL  44  11.489  -5.498  -1.752
  312   1HG2  VAL  44          1HG2      VAL  44  13.536  -2.760  -3.260
  313   2HG2  VAL  44          2HG2      VAL  44  12.315  -3.613  -4.205
  314   3HG2  VAL  44          3HG2      VAL  44  13.387  -4.513  -3.131
  315    H    SER  45           H        SER  45   8.974  -0.793  -2.576
  316    HA   SER  45           HA       SER  45   7.367  -0.487  -4.163
  317   1HB   SER  45          2HB       SER  45   9.072  -0.143  -5.780
  318   2HB   SER  45          1HB       SER  45   9.368  -1.875  -5.923
  319    HG   SER  45           HG       SER  45   6.950  -0.559  -6.611
  320    H    GLU  46           H        GLU  46   7.967  -3.389  -2.858
  321    HA   GLU  46           HA       GLU  46   5.402  -4.405  -3.331
  322   1HB   GLU  46          2HB       GLU  46   6.079  -4.782  -5.615
  323   2HB   GLU  46          1HB       GLU  46   7.533  -5.620  -5.093
  324   1HG   GLU  46          2HG       GLU  46   6.198  -7.426  -4.187
  325   2HG   GLU  46          1HG       GLU  46   4.717  -6.571  -4.615
  326    H    TYR  47           H        TYR  47   4.940  -6.392  -2.356
  327    HA   TYR  47           HA       TYR  47   6.278  -6.933   0.008
  328   1HB   TYR  47          2HB       TYR  47   3.903  -7.608  -0.574
  329   2HB   TYR  47          1HB       TYR  47   4.593  -8.936  -1.507
  330    HD1  TYR  47           1HD      TYR  47   5.386  -7.522   1.858
  331    HD2  TYR  47           2HD      TYR  47   4.220 -10.930  -0.405
  332    HE1  TYR  47           1HE      TYR  47   5.461  -8.895   3.898
  333    HE2  TYR  47           2HE      TYR  47   4.292 -12.313   1.629
  334    HH   TYR  47           HH       TYR  47   5.379 -12.282   3.842
  Start of MODEL   18
    1   1H    GLY   1          1HT       GLY   1 -13.465  -4.671   7.364
    2   2H    GLY   1          2HT       GLY   1 -12.891  -4.115   5.874
    3   3H    GLY   1          3HT       GLY   1 -14.529  -4.488   6.062
    4   1HA   GLY   1          1HA       GLY   1 -14.208  -2.100   6.078
    5   2HA   GLY   1          2HA       GLY   1 -14.813  -2.679   7.624
    6    H    SER   2           H        SER   2 -11.584  -2.513   6.122
    7    HA   SER   2           HA       SER   2 -10.592  -0.468   7.759
    8   1HB   SER   2          2HB       SER   2 -10.868  -2.069   9.591
    9   2HB   SER   2          1HB       SER   2  -9.910  -3.261   8.712
   10    HG   SER   2           HG       SER   2  -8.734  -2.044  10.324
   11    H    GLY   3           H        GLY   3 -10.459  -1.209   5.060
   12   1HA   GLY   3          2HA       GLY   3  -8.511  -0.608   3.716
   13   2HA   GLY   3          1HA       GLY   3  -7.553  -1.643   4.764
   14    H    GLU   4           H        GLU   4  -7.020  -2.330   2.377
   15    HA   GLU   4           HA       GLU   4  -7.184  -3.865   0.710
   16   1HB   GLU   4          2HB       GLU   4  -6.719  -5.716   1.869
   17   2HB   GLU   4          1HB       GLU   4  -7.596  -5.126   3.263
   18   1HG   GLU   4          2HG       GLU   4  -9.665  -6.083   2.352
   19   2HG   GLU   4          1HG       GLU   4  -8.761  -6.700   0.972
   20    H    VAL   5           H        VAL   5  -9.460  -1.992   1.183
   21    HA   VAL   5           HA       VAL   5 -11.694  -3.521   0.048
   22    HB   VAL   5           HB       VAL   5 -11.873  -0.676   0.991
   23   1HG1  VAL   5          1HG1      VAL   5 -13.742  -1.552  -0.285
   24   2HG1  VAL   5          2HG1      VAL   5 -14.223  -1.318   1.396
   25   3HG1  VAL   5          3HG1      VAL   5 -13.869  -2.938   0.797
   26   1HG2  VAL   5          1HG2      VAL   5 -11.902  -3.163   2.685
   27   2HG2  VAL   5          2HG2      VAL   5 -12.726  -1.684   3.178
   28   3HG2  VAL   5          3HG2      VAL   5 -10.982  -1.676   2.920
   29    H    ASN   6           H        ASN   6  -9.258  -1.239  -0.719
   30    HA   ASN   6           HA       ASN   6  -8.800  -0.032  -2.593
   31   1HB   ASN   6          2HB       ASN   6  -9.196  -2.180  -3.702
   32   2HB   ASN   6          1HB       ASN   6 -10.921  -1.847  -3.771
   33   1HD2  ASN   6          1HD2      ASN   6  -8.606  -2.233  -5.735
   34   2HD2  ASN   6          2HD2      ASN   6  -8.855  -0.967  -6.889
   35    H    LYS   7           H        LYS   7  -9.973   1.604  -1.107
   36    HA   LYS   7           HA       LYS   7 -12.019   2.949  -2.648
   37   1HB   LYS   7          2HB       LYS   7 -13.564   3.048  -0.782
   38   2HB   LYS   7          1HB       LYS   7 -13.165   1.361  -1.079
   39   1HG   LYS   7          2HG       LYS   7 -11.386   1.607   0.725
   40   2HG   LYS   7          1HG       LYS   7 -12.179   3.135   1.131
   41   1HD   LYS   7          2HD       LYS   7 -14.229   2.035   1.652
   42   2HD   LYS   7          1HD       LYS   7 -13.632   0.502   1.019
   43   1HE   LYS   7          2HE       LYS   7 -13.592   0.548   3.468
   44   2HE   LYS   7          1HE       LYS   7 -11.971   0.394   2.792
   45   1HZ   LYS   7          1HZ       LYS   7 -12.065   1.994   4.617
   46   2HZ   LYS   7          2HZ       LYS   7 -13.183   2.927   3.758
   47   3HZ   LYS   7          3HZ       LYS   7 -11.610   2.738   3.167
   48    H    ILE   8           H        ILE   8 -12.596   4.596  -0.221
   49    HA   ILE   8           HA       ILE   8 -10.922   6.703  -0.508
   50    HB   ILE   8           HB       ILE   8 -13.095   6.448   0.748
   51   1HG1  ILE   8          2HG1      ILE   8 -11.868   8.571   0.580
   52   2HG1  ILE   8          1HG1      ILE   8 -12.668   8.423   2.141
   53   1HG2  ILE   8          1HG2      ILE   8 -12.157   4.703   2.323
   54   2HG2  ILE   8          2HG2      ILE   8 -13.159   5.968   3.034
   55   3HG2  ILE   8          3HG2      ILE   8 -11.405   6.045   3.185
   56   1HD1  ILE   8          1HD1      ILE   8  -9.746   8.037   1.553
   57   2HD1  ILE   8          2HD1      ILE   8 -10.503   7.688   3.107
   58   3HD1  ILE   8          3HD1      ILE   8 -10.495   9.336   2.481
   59    H    ILE   9           H        ILE   9  -8.767   6.378  -0.584
   60    HA   ILE   9           HA       ILE   9  -7.431   5.928   1.925
   61    HB   ILE   9           HB       ILE   9  -7.811   3.663   0.899
   62   1HG1  ILE   9          2HG1      ILE   9  -5.726   2.797   1.591
   63   2HG1  ILE   9          1HG1      ILE   9  -4.884   4.288   1.213
   64   1HG2  ILE   9          1HG2      ILE   9  -7.545   4.097  -1.372
   65   2HG2  ILE   9          2HG2      ILE   9  -6.228   3.027  -0.897
   66   3HG2  ILE   9          3HG2      ILE   9  -5.926   4.752  -1.127
   67   1HD1  ILE   9          1HD1      ILE   9  -5.586   5.304   3.137
   68   2HD1  ILE   9          2HD1      ILE   9  -5.496   3.624   3.668
   69   3HD1  ILE   9          3HD1      ILE   9  -7.051   4.331   3.241
   70    H    GLY  10           H        GLY  10  -4.877   6.100   1.461
   71   1HA   GLY  10          2HA       GLY  10  -4.514   8.230  -0.529
   72   2HA   GLY  10          1HA       GLY  10  -4.026   8.502   1.137
   73    H    SER  11           H        SER  11  -2.099   8.791  -0.751
   74    HA   SER  11           HA       SER  11  -0.416   6.514  -0.147
   75   1HB   SER  11          2HB       SER  11   0.267   6.316  -2.576
   76   2HB   SER  11          1HB       SER  11  -1.378   5.792  -2.227
   77    HG   SER  11           HG       SER  11  -2.014   7.228  -3.603
   78    H    ARG  12           H        ARG  12   1.116   7.636   0.939
   79    HA   ARG  12           HA       ARG  12   2.961   9.167  -0.666
   80   1HB   ARG  12          2HB       ARG  12   1.328  10.904  -0.020
   81   2HB   ARG  12          1HB       ARG  12   1.622  10.535   1.674
   82   1HG   ARG  12          2HG       ARG  12   3.894  11.286   1.504
   83   2HG   ARG  12          1HG       ARG  12   3.735  11.501  -0.240
   84   1HD   ARG  12          2HD       ARG  12   3.559  13.649   0.810
   85   2HD   ARG  12          1HD       ARG  12   1.972  13.199   0.189
   86    HE   ARG  12           HE       ARG  12   2.019  12.357   2.810
   87   1HH1  ARG  12          1HH1      ARG  12   2.367  15.377   1.112
   88   2HH1  ARG  12          2HH1      ARG  12   1.728  16.331   2.410
   89   1HH2  ARG  12          1HH2      ARG  12   1.173  13.603   4.526
   90   2HH2  ARG  12          2HH2      ARG  12   1.047  15.321   4.349
   91    H    THR  13           H        THR  13   4.706   7.786  -0.070
   92    HA   THR  13           HA       THR  13   5.182   7.698   2.820
   93    HB   THR  13           HB       THR  13   6.571   5.688   1.199
   94    HG1  THR  13           1HG      THR  13   4.710   4.379   1.132
   95   1HG2  THR  13          1HG2      THR  13   5.891   4.293   3.171
   96   2HG2  THR  13          2HG2      THR  13   5.214   5.763   3.873
   97   3HG2  THR  13          3HG2      THR  13   6.942   5.660   3.540
   98    H    ALA  14           H        ALA  14   7.538   6.929   0.260
   99    HA   ALA  14           HA       ALA  14   9.070   9.287   0.998
  100   1HB   ALA  14          1HB       ALA  14   9.691   7.695   2.731
  101   2HB   ALA  14          2HB       ALA  14  11.056   8.038   1.666
  102   3HB   ALA  14          3HB       ALA  14  10.163   6.525   1.499
  103    H    GLY  15           H        GLY  15   9.439   6.135  -0.658
  104   1HA   GLY  15          2HA       GLY  15   9.513   6.237  -3.133
  105   2HA   GLY  15          1HA       GLY  15  10.541   7.650  -2.953
  106    H    GLU  16           H        GLU  16  12.104   6.545  -0.777
  107    HA   GLU  16           HA       GLU  16  14.158   5.317  -2.229
  108   1HB   GLU  16          2HB       GLU  16  14.302   6.509   0.027
  109   2HB   GLU  16          1HB       GLU  16  13.740   5.006   0.744
  110   1HG   GLU  16          2HG       GLU  16  16.100   5.056   0.937
  111   2HG   GLU  16          1HG       GLU  16  15.696   3.864  -0.296
  112    H    GLY  17           H        GLY  17  11.400   4.048  -0.564
  113   1HA   GLY  17          2HA       GLY  17  11.902   1.413  -1.702
  114   2HA   GLY  17          1HA       GLY  17  11.778   1.499   0.051
  115    H    ALA  18           H        ALA  18   9.784   3.465   0.254
  116    HA   ALA  18           HA       ALA  18   7.451   2.247  -1.049
  117   1HB   ALA  18          1HB       ALA  18   7.523   1.340   1.177
  118   2HB   ALA  18          2HB       ALA  18   6.247   2.561   1.117
  119   3HB   ALA  18          3HB       ALA  18   7.799   2.948   1.860
  120    H    MET  19           H        MET  19   5.681   3.732  -1.388
  121    HA   MET  19           HA       MET  19   5.966   6.459  -0.557
  122   1HB   MET  19          2HB       MET  19   7.469   5.861  -2.724
  123   2HB   MET  19          1HB       MET  19   5.969   6.357  -3.499
  124   1HG   MET  19          2HG       MET  19   6.038   8.476  -2.357
  125   2HG   MET  19          1HG       MET  19   7.469   7.970  -1.468
  126   1HE   MET  19          1HE       MET  19   6.000   8.896  -4.989
  127   2HE   MET  19          2HE       MET  19   6.645   7.274  -5.248
  128   3HE   MET  19          3HE       MET  19   7.404   8.661  -6.031
  129    H    GLU  20           H        GLU  20   3.893   4.345  -0.624
  130    HA   GLU  20           HA       GLU  20   1.756   6.087  -1.459
  131   1HB   GLU  20          2HB       GLU  20   1.909   3.296  -2.566
  132   2HB   GLU  20          1HB       GLU  20   0.625   4.443  -2.852
  133   1HG   GLU  20          2HG       GLU  20   2.499   5.901  -3.871
  134   2HG   GLU  20          1HG       GLU  20   3.416   4.389  -3.924
  135    H    TYR  21           H        TYR  21  -0.447   4.690  -0.959
  136    HA   TYR  21           HA       TYR  21  -0.131   2.897   1.242
  137   1HB   TYR  21          2HB       TYR  21   0.252   4.704   2.576
  138   2HB   TYR  21          1HB       TYR  21  -0.720   5.771   1.600
  139    HD1  TYR  21           1HD      TYR  21  -2.328   6.738   2.770
  140    HD2  TYR  21           2HD      TYR  21  -1.490   2.636   3.570
  141    HE1  TYR  21           1HE      TYR  21  -4.083   6.727   4.446
  142    HE2  TYR  21           2HE      TYR  21  -3.259   2.621   5.282
  143    HH   TYR  21           HH       TYR  21  -4.470   4.195   6.709
  144    H    LEU  22           H        LEU  22  -1.800   3.567  -1.346
  145    HA   LEU  22           HA       LEU  22  -4.390   3.243  -0.320
  146   1HB   LEU  22          2HB       LEU  22  -5.181   3.709  -2.510
  147   2HB   LEU  22          1HB       LEU  22  -3.763   4.706  -2.308
  148    HG   LEU  22           HG       LEU  22  -3.813   2.075  -3.790
  149   1HD1  LEU  22          1HD1      LEU  22  -3.815   4.819  -5.003
  150   2HD1  LEU  22          2HD1      LEU  22  -5.285   3.882  -4.746
  151   3HD1  LEU  22          3HD1      LEU  22  -4.022   3.267  -5.813
  152   1HD2  LEU  22          1HD2      LEU  22  -1.750   3.128  -4.857
  153   2HD2  LEU  22          2HD2      LEU  22  -1.578   2.496  -3.224
  154   3HD2  LEU  22          3HD2      LEU  22  -1.750   4.236  -3.488
  155    H    ILE  23           H        ILE  23  -5.387   1.674   0.177
  156    HA   ILE  23           HA       ILE  23  -4.908  -0.952  -0.256
  157    HB   ILE  23           HB       ILE  23  -7.236  -1.306   0.419
  158   1HG1  ILE  23          2HG1      ILE  23  -7.353   1.687   0.005
  159   2HG1  ILE  23          1HG1      ILE  23  -8.397   0.463  -0.708
  160   1HG2  ILE  23          1HG2      ILE  23  -6.966  -0.375   2.599
  161   2HG2  ILE  23          2HG2      ILE  23  -5.923   0.907   1.989
  162   3HG2  ILE  23          3HG2      ILE  23  -5.355  -0.764   1.997
  163   1HD1  ILE  23          1HD1      ILE  23  -8.279   1.114   2.222
  164   2HD1  ILE  23          2HD1      ILE  23  -9.417   0.030   1.420
  165   3HD1  ILE  23          3HD1      ILE  23  -9.473   1.764   1.095
  166    H    GLU  24           H        GLU  24  -6.101   1.370  -2.452
  167    HA   GLU  24           HA       GLU  24  -7.714   0.217  -4.215
  168   1HB   GLU  24          2HB       GLU  24  -6.500   2.429  -4.397
  169   2HB   GLU  24          1HB       GLU  24  -5.147   1.540  -5.084
  170   1HG   GLU  24          2HG       GLU  24  -6.348   2.431  -6.900
  171   2HG   GLU  24          1HG       GLU  24  -6.725   0.710  -6.853
  172    H    TRP  25           H        TRP  25  -4.419  -0.796  -3.573
  173    HA   TRP  25           HA       TRP  25  -4.012  -2.447  -5.771
  174   1HB   TRP  25          2HB       TRP  25  -2.625  -3.828  -3.979
  175   2HB   TRP  25          1HB       TRP  25  -2.093  -2.250  -4.516
  176    HD1  TRP  25           HD       TRP  25  -4.407  -3.479  -1.610
  177    HE1  TRP  25           1HE      TRP  25  -3.659  -2.217   0.529
  178    HE3  TRP  25           3HE      TRP  25  -0.654  -0.559  -3.553
  179    HZ2  TRP  25           2HZ      TRP  25  -1.859  -0.294   1.253
  180    HZ3  TRP  25           3HZ      TRP  25   0.543   0.969  -1.988
  181    HH2  TRP  25           HH       TRP  25  -0.057   1.106   0.320
  182    H    LYS  26           H        LYS  26  -3.730  -5.118  -4.629
  183    HA   LYS  26           HA       LYS  26  -6.590  -5.769  -4.533
  184   1HB   LYS  26          2HB       LYS  26  -4.253  -7.403  -5.525
  185   2HB   LYS  26          1HB       LYS  26  -5.894  -8.018  -5.377
  186   1HG   LYS  26          2HG       LYS  26  -6.646  -6.265  -6.951
  187   2HG   LYS  26          1HG       LYS  26  -4.964  -5.775  -7.157
  188   1HD   LYS  26          2HD       LYS  26  -4.419  -8.019  -7.982
  189   2HD   LYS  26          1HD       LYS  26  -6.106  -8.497  -7.783
  190   1HE   LYS  26          2HE       LYS  26  -6.768  -6.758  -9.391
  191   2HE   LYS  26          1HE       LYS  26  -5.070  -6.333  -9.612
  192   1HZ   LYS  26          1HZ       LYS  26  -6.325  -8.945 -10.265
  193   2HZ   LYS  26          2HZ       LYS  26  -4.676  -8.601 -10.413
  194   3HZ   LYS  26          3HZ       LYS  26  -5.800  -7.780 -11.373
  195    H    ASP  27           H        ASP  27  -5.461  -5.013  -2.161
  196    HA   ASP  27           HA       ASP  27  -4.910  -5.699  -0.035
  197   1HB   ASP  27          2HB       ASP  27  -6.489  -7.363   0.848
  198   2HB   ASP  27          1HB       ASP  27  -7.301  -6.184  -0.176
  199    H    GLY  28           H        GLY  28  -3.199  -6.867  -2.142
  200   1HA   GLY  28          2HA       GLY  28  -2.710  -9.581  -1.808
  201   2HA   GLY  28          1HA       GLY  28  -1.484  -8.413  -2.255
  202    H    HIS  29           H        HIS  29  -1.100  -6.872  -0.064
  203    HA   HIS  29           HA       HIS  29  -0.747  -8.768   2.124
  204   1HB   HIS  29          2HB       HIS  29   1.492  -7.008   1.059
  205   2HB   HIS  29          1HB       HIS  29   1.547  -7.933   2.556
  206    HD1  HIS  29           1HD      HIS  29   1.912  -8.280  -1.115
  207    HD2  HIS  29           2HD      HIS  29   1.716 -10.748   2.221
  208    HE1  HIS  29           1HE      HIS  29   2.703 -10.533  -1.899
  209    HE2  HIS  29           2HE      HIS  29   2.565 -12.016   0.133
  210    H    SER  30           H        SER  30  -2.331  -7.809   3.225
  211    HA   SER  30           HA       SER  30  -3.401  -6.320   4.562
  212   1HB   SER  30          2HB       SER  30  -0.556  -5.621   5.245
  213   2HB   SER  30          1HB       SER  30  -1.974  -5.415   6.287
  214    HG   SER  30           HG       SER  30  -0.854  -7.854   5.361
  215    HA   PRO  31           HA       PRO  31  -3.951  -2.129   2.490
  216   1HB   PRO  31          2HB       PRO  31  -4.962  -1.606   5.206
  217   2HB   PRO  31          1HB       PRO  31  -5.846  -1.589   3.690
  218   1HG   PRO  31          2HG       PRO  31  -5.636  -3.726   5.680
  219   2HG   PRO  31          1HG       PRO  31  -6.808  -3.540   4.376
  220   1HD   PRO  31          2HD       PRO  31  -4.980  -5.476   4.293
  221   2HD   PRO  31          1HD       PRO  31  -5.420  -4.608   2.803
  222    H    SER  32           H        SER  32  -1.854  -1.488   2.445
  223    HA   SER  32           HA       SER  32  -0.526  -0.804   4.969
  224   1HB   SER  32          2HB       SER  32   0.786  -2.018   2.590
  225   2HB   SER  32          1HB       SER  32   1.601  -1.434   4.043
  226    HG   SER  32           HG       SER  32   0.769  -3.042   5.215
  227    H    TRP  33           H        TRP  33   0.965   0.877   5.039
  228    HA   TRP  33           HA       TRP  33   0.477   2.841   2.941
  229   1HB   TRP  33          2HB       TRP  33   0.456   3.417   5.405
  230   2HB   TRP  33          1HB       TRP  33   2.173   3.029   5.466
  231    HD1  TRP  33           HD       TRP  33   3.671   4.611   3.574
  232    HE1  TRP  33           1HE      TRP  33   3.441   7.141   3.215
  233    HE3  TRP  33           3HE      TRP  33  -0.955   5.328   5.616
  234    HZ2  TRP  33           2HZ      TRP  33   1.551   9.185   3.706
  235    HZ3  TRP  33           3HZ      TRP  33  -1.906   7.597   5.623
  236    HH2  TRP  33           HH       TRP  33  -0.679   9.484   4.675
  237    H    VAL  34           H        VAL  34   1.518   1.934   1.238
  238    HA   VAL  34           HA       VAL  34   4.400   1.914   1.270
  239    HB   VAL  34           HB       VAL  34   3.387  -0.682   0.294
  240   1HG1  VAL  34          1HG1      VAL  34   5.765   0.485   1.381
  241   2HG1  VAL  34          2HG1      VAL  34   5.571  -1.142   0.747
  242   3HG1  VAL  34          3HG1      VAL  34   5.296  -0.831   2.450
  243   1HG2  VAL  34          1HG2      VAL  34   2.988  -1.697   2.417
  244   2HG2  VAL  34          2HG2      VAL  34   1.865  -0.357   2.165
  245   3HG2  VAL  34          3HG2      VAL  34   3.253  -0.164   3.238
  246    HA   PRO  35           HA       PRO  35   3.879   2.754  -3.014
  247   1HB   PRO  35          2HB       PRO  35   5.862   1.640  -4.321
  248   2HB   PRO  35          1HB       PRO  35   6.194   2.718  -2.957
  249   1HG   PRO  35          2HG       PRO  35   6.171  -0.273  -3.042
  250   2HG   PRO  35          1HG       PRO  35   7.356   0.806  -2.296
  251   1HD   PRO  35          2HD       PRO  35   5.269  -0.427  -0.972
  252   2HD   PRO  35          1HD       PRO  35   6.109   1.015  -0.403
  253    H    SER  36           H        SER  36   2.100   2.129  -3.993
  254    HA   SER  36           HA       SER  36   0.679   1.070  -5.394
  255   1HB   SER  36          2HB       SER  36   2.443   1.605  -6.985
  256   2HB   SER  36          1HB       SER  36   3.284   0.107  -6.587
  257    HG   SER  36           HG       SER  36   0.714   0.346  -7.769
  258    H    SER  37           H        SER  37   1.756  -0.510  -2.983
  259    HA   SER  37           HA       SER  37   0.208  -2.772  -3.471
  260   1HB   SER  37          2HB       SER  37   2.160  -3.356  -4.928
  261   2HB   SER  37          1HB       SER  37   3.163  -3.416  -3.484
  262    HG   SER  37           HG       SER  37   2.105  -5.440  -4.323
  263    H    TYR  38           H        TYR  38   3.011  -3.649  -1.691
  264    HA   TYR  38           HA       TYR  38   2.457  -2.530   0.809
  265   1HB   TYR  38          2HB       TYR  38   1.750  -5.118   1.433
  266   2HB   TYR  38          1HB       TYR  38   0.663  -3.748   1.421
  267    HD1  TYR  38           1HD      TYR  38  -1.191  -3.779   0.031
  268    HD2  TYR  38           2HD      TYR  38   2.052  -6.383  -0.810
  269    HE1  TYR  38           1HE      TYR  38  -2.551  -4.897  -1.691
  270    HE2  TYR  38           2HE      TYR  38   0.703  -7.494  -2.555
  271    HH   TYR  38           HH       TYR  38  -1.635  -7.857  -3.102
  272    H    ILE  39           H        ILE  39   4.456  -2.660   1.630
  273    HA   ILE  39           HA       ILE  39   5.999  -5.073   1.198
  274    HB   ILE  39           HB       ILE  39   7.603  -4.222  -0.125
  275   1HG1  ILE  39          2HG1      ILE  39   7.289  -1.649   1.405
  276   2HG1  ILE  39          1HG1      ILE  39   8.713  -2.652   1.213
  277   1HG2  ILE  39          1HG2      ILE  39   5.340  -2.311  -0.641
  278   2HG2  ILE  39          2HG2      ILE  39   5.622  -3.861  -1.402
  279   3HG2  ILE  39          3HG2      ILE  39   6.715  -2.516  -1.722
  280   1HD1  ILE  39          1HD1      ILE  39   7.574  -0.631  -0.663
  281   2HD1  ILE  39          2HD1      ILE  39   8.629  -1.912  -1.251
  282   3HD1  ILE  39          3HD1      ILE  39   9.214  -0.779  -0.035
  283    H    ALA  40           H        ALA  40   4.737  -3.925   3.468
  284    HA   ALA  40           HA       ALA  40   6.509  -2.484   5.097
  285   1HB   ALA  40          1HB       ALA  40   4.074  -2.818   5.451
  286   2HB   ALA  40          2HB       ALA  40   5.060  -3.065   6.895
  287   3HB   ALA  40          3HB       ALA  40   4.430  -4.453   6.006
  288    H    ALA  41           H        ALA  41   8.546  -3.336   4.897
  289    HA   ALA  41           HA       ALA  41   9.678  -4.859   6.780
  290   1HB   ALA  41          1HB       ALA  41   8.633  -6.688   4.630
  291   2HB   ALA  41          2HB       ALA  41   8.426  -6.816   6.377
  292   3HB   ALA  41          3HB       ALA  41  10.002  -7.122   5.652
  293    H    ASP  42           H        ASP  42  10.345  -2.777   5.011
  294    HA   ASP  42           HA       ASP  42  12.037  -1.961   3.739
  295   1HB   ASP  42          2HB       ASP  42  13.394  -2.854   5.567
  296   2HB   ASP  42          1HB       ASP  42  13.461  -4.423   4.769
  297    H    VAL  43           H        VAL  43  10.908  -2.268   1.751
  298    HA   VAL  43           HA       VAL  43  12.343  -4.014  -0.069
  299    HB   VAL  43           HB       VAL  43   9.434  -4.266  -0.452
  300   1HG1  VAL  43          1HG1      VAL  43  11.887  -5.674  -1.105
  301   2HG1  VAL  43          2HG1      VAL  43  10.336  -5.646  -1.947
  302   3HG1  VAL  43          3HG1      VAL  43  10.587  -6.753  -0.598
  303   1HG2  VAL  43          1HG2      VAL  43   9.520  -4.588   1.966
  304   2HG2  VAL  43          2HG2      VAL  43  10.800  -5.784   1.768
  305   3HG2  VAL  43          3HG2      VAL  43   9.183  -6.113   1.144
  306    H    VAL  44           H        VAL  44  10.426  -3.730  -2.244
  307    HA   VAL  44           HA       VAL  44   9.894  -0.909  -2.467
  308    HB   VAL  44           HB       VAL  44  12.244  -0.867  -2.953
  309   1HG1  VAL  44          1HG1      VAL  44  12.542  -3.189  -3.640
  310   2HG1  VAL  44          2HG1      VAL  44  13.204  -2.086  -4.847
  311   3HG1  VAL  44          3HG1      VAL  44  11.651  -2.873  -5.129
  312   1HG2  VAL  44          1HG2      VAL  44  10.856   0.676  -4.201
  313   2HG2  VAL  44          2HG2      VAL  44  10.574  -0.543  -5.445
  314   3HG2  VAL  44          3HG2      VAL  44  12.192   0.120  -5.212
  315    H    SER  45           H        SER  45   8.057  -0.744  -3.410
  316    HA   SER  45           HA       SER  45   6.343  -0.867  -4.854
  317   1HB   SER  45          2HB       SER  45   6.732  -1.409  -7.143
  318   2HB   SER  45          1HB       SER  45   8.187  -0.617  -6.544
  319    HG   SER  45           HG       SER  45   8.218  -2.787  -7.801
  320    H    GLU  46           H        GLU  46   7.394  -3.435  -3.253
  321    HA   GLU  46           HA       GLU  46   5.012  -4.866  -3.436
  322   1HB   GLU  46          2HB       GLU  46   5.886  -5.404  -5.721
  323   2HB   GLU  46          1HB       GLU  46   7.242  -6.221  -4.966
  324   1HG   GLU  46          2HG       GLU  46   5.704  -7.781  -3.890
  325   2HG   GLU  46          1HG       GLU  46   4.343  -6.961  -4.654
  326    H    TYR  47           H        TYR  47   4.950  -6.755  -2.141
  327    HA   TYR  47           HA       TYR  47   6.613  -6.638   0.119
  328   1HB   TYR  47          2HB       TYR  47   4.301  -7.483   0.179
  329   2HB   TYR  47          1HB       TYR  47   4.791  -8.879  -0.776
  330    HD1  TYR  47           1HD      TYR  47   5.942  -7.145   2.336
  331    HD2  TYR  47           2HD      TYR  47   5.052 -10.830   0.405
  332    HE1  TYR  47           1HE      TYR  47   6.503  -8.355   4.402
  333    HE2  TYR  47           2HE      TYR  47   5.610 -12.051   2.468
  334    HH   TYR  47           HH       TYR  47   6.953 -11.714   4.503
  Start of MODEL   19
    1   1H    GLY   1          1HT       GLY   1 -12.201  -0.763  10.391
    2   2H    GLY   1          2HT       GLY   1 -12.235  -2.166  11.333
    3   3H    GLY   1          3HT       GLY   1 -12.972  -2.152   9.810
    4   1HA   GLY   1          1HA       GLY   1 -10.063  -1.899  10.344
    5   2HA   GLY   1          2HA       GLY   1 -10.869  -3.330   9.721
    6    H    SER   2           H        SER   2  -9.496  -0.281   8.973
    7    HA   SER   2           HA       SER   2 -10.604  -0.093   6.323
    8   1HB   SER   2          2HB       SER   2  -9.039   1.797   6.050
    9   2HB   SER   2          1HB       SER   2  -9.973   1.940   7.540
   10    HG   SER   2           HG       SER   2  -7.701   2.354   7.800
   11    H    GLY   3           H        GLY   3  -9.428  -0.301   4.360
   12   1HA   GLY   3          2HA       GLY   3  -7.428  -0.909   3.163
   13   2HA   GLY   3          1HA       GLY   3  -6.938  -1.862   4.557
   14    H    GLU   4           H        GLU   4  -7.109  -2.693   1.780
   15    HA   GLU   4           HA       GLU   4  -7.772  -4.509   0.586
   16   1HB   GLU   4          2HB       GLU   4  -7.214  -5.924   2.302
   17   2HB   GLU   4          1HB       GLU   4  -8.486  -5.327   3.363
   18   1HG   GLU   4          2HG       GLU   4  -9.229  -6.803   0.880
   19   2HG   GLU   4          1HG       GLU   4  -8.641  -7.697   2.280
   20    H    VAL   5           H        VAL   5  -9.779  -2.205   1.459
   21    HA   VAL   5           HA       VAL   5 -12.298  -3.463   0.690
   22    HB   VAL   5           HB       VAL   5 -11.818  -0.531   1.146
   23   1HG1  VAL   5          1HG1      VAL   5 -14.272  -2.267   1.405
   24   2HG1  VAL   5          2HG1      VAL   5 -13.935  -1.101   0.125
   25   3HG1  VAL   5          3HG1      VAL   5 -14.202  -0.544   1.777
   26   1HG2  VAL   5          1HG2      VAL   5 -10.967  -1.748   3.101
   27   2HG2  VAL   5          2HG2      VAL   5 -12.517  -2.576   3.258
   28   3HG2  VAL   5          3HG2      VAL   5 -12.421  -0.831   3.492
   29    H    ASN   6           H        ASN   6  -9.902  -1.224  -0.361
   30    HA   ASN   6           HA       ASN   6  -9.227  -0.438  -2.343
   31   1HB   ASN   6          2HB       ASN   6 -11.092  -1.896  -4.073
   32   2HB   ASN   6          1HB       ASN   6  -9.339  -1.747  -4.116
   33   1HD2  ASN   6          1HD2      ASN   6  -8.083  -3.298  -3.283
   34   2HD2  ASN   6          2HD2      ASN   6  -8.680  -4.760  -2.584
   35    H    LYS   7           H        LYS   7 -10.015   1.592  -1.872
   36    HA   LYS   7           HA       LYS   7 -12.153   2.497  -3.590
   37   1HB   LYS   7          2HB       LYS   7 -13.309   3.642  -1.747
   38   2HB   LYS   7          1HB       LYS   7 -13.272   1.908  -1.467
   39   1HG   LYS   7          2HG       LYS   7 -11.322   2.236   0.036
   40   2HG   LYS   7          1HG       LYS   7 -11.518   3.981  -0.169
   41   1HD   LYS   7          2HD       LYS   7 -13.613   2.108   0.931
   42   2HD   LYS   7          1HD       LYS   7 -12.575   3.160   1.896
   43   1HE   LYS   7          2HE       LYS   7 -13.524   5.119   0.805
   44   2HE   LYS   7          1HE       LYS   7 -14.533   4.083  -0.203
   45   1HZ   LYS   7          1HZ       LYS   7 -15.743   5.001   1.696
   46   2HZ   LYS   7          2HZ       LYS   7 -14.674   4.235   2.760
   47   3HZ   LYS   7          3HZ       LYS   7 -15.677   3.311   1.760
   48    H    ILE   8           H        ILE   8 -12.057   5.069  -1.922
   49    HA   ILE   8           HA       ILE   8 -10.107   6.434  -3.329
   50    HB   ILE   8           HB       ILE   8 -12.080   7.275  -1.955
   51   1HG1  ILE   8          2HG1      ILE   8 -10.497   8.724  -3.192
   52   2HG1  ILE   8          1HG1      ILE   8 -11.106   9.496  -1.731
   53   1HG2  ILE   8          1HG2      ILE   8 -11.406   6.294   0.188
   54   2HG2  ILE   8          2HG2      ILE   8 -11.667   8.034   0.300
   55   3HG2  ILE   8          3HG2      ILE   8 -10.027   7.391   0.240
   56   1HD1  ILE   8          1HD1      ILE   8  -9.017   8.887  -0.579
   57   2HD1  ILE   8          2HD1      ILE   8  -8.757   9.934  -1.974
   58   3HD1  ILE   8          3HD1      ILE   8  -8.411   8.209  -2.090
   59    H    ILE   9           H        ILE   9  -7.927   6.245  -3.241
   60    HA   ILE   9           HA       ILE   9  -6.772   5.278  -0.741
   61    HB   ILE   9           HB       ILE   9  -4.851   4.493  -2.065
   62   1HG1  ILE   9          2HG1      ILE   9  -6.488   5.150  -4.509
   63   2HG1  ILE   9          1HG1      ILE   9  -5.227   6.217  -3.899
   64   1HG2  ILE   9          1HG2      ILE   9  -7.106   3.278  -3.508
   65   2HG2  ILE   9          2HG2      ILE   9  -7.217   3.270  -1.749
   66   3HG2  ILE   9          3HG2      ILE   9  -5.827   2.533  -2.549
   67   1HD1  ILE   9          1HD1      ILE   9  -4.692   3.346  -4.568
   68   2HD1  ILE   9          2HD1      ILE   9  -3.540   4.666  -4.367
   69   3HD1  ILE   9          3HD1      ILE   9  -4.604   4.632  -5.773
   70    H    GLY  10           H        GLY  10  -5.261   6.330   0.335
   71   1HA   GLY  10          2HA       GLY  10  -4.145   8.806  -0.780
   72   2HA   GLY  10          1HA       GLY  10  -4.180   8.361   0.935
   73    H    SER  11           H        SER  11  -1.777   9.018  -0.762
   74    HA   SER  11           HA       SER  11  -0.298   6.639  -0.131
   75   1HB   SER  11          2HB       SER  11   0.559   6.750  -2.677
   76   2HB   SER  11          1HB       SER  11  -0.797   5.743  -2.168
   77    HG   SER  11           HG       SER  11  -0.788   8.180  -3.556
   78    H    ARG  12           H        ARG  12   1.248   7.589   1.040
   79    HA   ARG  12           HA       ARG  12   3.203   9.191  -0.368
   80   1HB   ARG  12          2HB       ARG  12   1.751  10.320   2.031
   81   2HB   ARG  12          1HB       ARG  12   3.199  11.015   1.316
   82   1HG   ARG  12          2HG       ARG  12   1.974  11.359  -0.787
   83   2HG   ARG  12          1HG       ARG  12   0.519  10.714  -0.024
   84   1HD   ARG  12          2HD       ARG  12   0.480  13.141  -0.004
   85   2HD   ARG  12          1HD       ARG  12   0.605  12.515   1.639
   86    HE   ARG  12           HE       ARG  12   3.173  13.065   0.577
   87   1HH1  ARG  12          1HH1      ARG  12   0.339  14.619   1.874
   88   2HH1  ARG  12          2HH1      ARG  12   1.204  16.005   2.448
   89   1HH2  ARG  12          1HH2      ARG  12   4.322  14.884   1.331
   90   2HH2  ARG  12          2HH2      ARG  12   3.469  16.156   2.139
   91    H    THR  13           H        THR  13   4.904   7.772   0.105
   92    HA   THR  13           HA       THR  13   5.348   7.362   2.969
   93    HB   THR  13           HB       THR  13   6.638   5.335   1.351
   94    HG1  THR  13           1HG      THR  13   4.660   4.212   0.973
   95   1HG2  THR  13          1HG2      THR  13   6.638   5.070   3.689
   96   2HG2  THR  13          2HG2      THR  13   5.462   3.902   3.085
   97   3HG2  THR  13          3HG2      THR  13   4.914   5.416   3.802
   98    H    ALA  14           H        ALA  14   7.497   6.620   0.236
   99    HA   ALA  14           HA       ALA  14   9.281   8.752   1.103
  100   1HB   ALA  14          1HB       ALA  14   9.888   6.944   2.601
  101   2HB   ALA  14          2HB       ALA  14  11.191   7.263   1.457
  102   3HB   ALA  14          3HB       ALA  14  10.139   5.867   1.228
  103    H    GLY  15           H        GLY  15   9.309   5.783  -0.894
  104   1HA   GLY  15          2HA       GLY  15   9.209   6.142  -3.350
  105   2HA   GLY  15          1HA       GLY  15  10.338   7.465  -3.105
  106    H    GLU  16           H        GLU  16  12.096   6.263  -1.315
  107    HA   GLU  16           HA       GLU  16  13.843   4.914  -3.032
  108   1HB   GLU  16          2HB       GLU  16  14.736   6.040  -1.132
  109   2HB   GLU  16          1HB       GLU  16  13.708   5.137  -0.029
  110   1HG   GLU  16          2HG       GLU  16  16.040   4.406   0.063
  111   2HG   GLU  16          1HG       GLU  16  14.961   3.115  -0.464
  112    H    GLY  17           H        GLY  17  11.403   3.773  -0.809
  113   1HA   GLY  17          2HA       GLY  17  11.728   1.064  -1.909
  114   2HA   GLY  17          1HA       GLY  17  11.632   1.291  -0.166
  115    H    ALA  18           H        ALA  18   9.698   3.164   0.121
  116    HA   ALA  18           HA       ALA  18   7.351   2.078  -1.247
  117   1HB   ALA  18          1HB       ALA  18   7.580   2.659   1.700
  118   2HB   ALA  18          2HB       ALA  18   7.467   1.056   0.967
  119   3HB   ALA  18          3HB       ALA  18   6.102   2.172   0.871
  120    H    MET  19           H        MET  19   5.604   3.604  -1.536
  121    HA   MET  19           HA       MET  19   5.872   6.251  -0.489
  122   1HB   MET  19          2HB       MET  19   7.438   5.820  -2.661
  123   2HB   MET  19          1HB       MET  19   5.976   6.448  -3.411
  124   1HG   MET  19          2HG       MET  19   6.856   7.941  -1.060
  125   2HG   MET  19          1HG       MET  19   7.996   7.952  -2.399
  126   1HE   MET  19          1HE       MET  19   5.880   9.473  -5.300
  127   2HE   MET  19          2HE       MET  19   6.047   7.756  -4.932
  128   3HE   MET  19          3HE       MET  19   7.445   8.825  -4.808
  129    H    GLU  20           H        GLU  20   3.793   4.211  -0.737
  130    HA   GLU  20           HA       GLU  20   1.723   6.045  -1.477
  131   1HB   GLU  20          2HB       GLU  20   1.514   3.302  -2.626
  132   2HB   GLU  20          1HB       GLU  20   0.568   4.701  -3.030
  133   1HG   GLU  20          2HG       GLU  20   2.701   5.699  -3.961
  134   2HG   GLU  20          1HG       GLU  20   3.401   4.085  -3.796
  135    H    TYR  21           H        TYR  21  -0.549   4.330  -1.074
  136    HA   TYR  21           HA       TYR  21   0.095   3.032   1.332
  137   1HB   TYR  21          2HB       TYR  21   0.154   4.865   2.488
  138   2HB   TYR  21          1HB       TYR  21  -0.838   5.741   1.370
  139    HD1  TYR  21           1HD      TYR  21  -2.221   6.877   2.765
  140    HD2  TYR  21           2HD      TYR  21  -1.880   2.649   3.280
  141    HE1  TYR  21           1HE      TYR  21  -4.070   6.933   4.343
  142    HE2  TYR  21           2HE      TYR  21  -3.735   2.715   4.892
  143    HH   TYR  21           HH       TYR  21  -4.820   4.372   6.410
  144    H    LEU  22           H        LEU  22  -2.780   4.293  -0.137
  145    HA   LEU  22           HA       LEU  22  -4.174   2.293   1.360
  146   1HB   LEU  22          2HB       LEU  22  -5.033   4.611  -0.186
  147   2HB   LEU  22          1HB       LEU  22  -6.159   3.277  -0.148
  148    HG   LEU  22           HG       LEU  22  -5.102   4.844   2.205
  149   1HD1  LEU  22          1HD1      LEU  22  -6.952   5.916   1.102
  150   2HD1  LEU  22          2HD1      LEU  22  -7.522   5.212   2.612
  151   3HD1  LEU  22          3HD1      LEU  22  -7.863   4.410   1.080
  152   1HD2  LEU  22          1HD2      LEU  22  -5.106   2.635   3.010
  153   2HD2  LEU  22          2HD2      LEU  22  -6.577   2.228   2.129
  154   3HD2  LEU  22          3HD2      LEU  22  -6.651   3.309   3.520
  155    H    ILE  23           H        ILE  23  -5.521   0.861   0.776
  156    HA   ILE  23           HA       ILE  23  -4.907  -1.286  -0.355
  157    HB   ILE  23           HB       ILE  23  -6.965  -1.079   0.627
  158   1HG1  ILE  23          2HG1      ILE  23  -8.461  -2.315  -0.780
  159   2HG1  ILE  23          1HG1      ILE  23  -7.618  -1.812  -2.226
  160   1HG2  ILE  23          1HG2      ILE  23  -7.371   1.222   0.006
  161   2HG2  ILE  23          2HG2      ILE  23  -8.809   0.229  -0.140
  162   3HG2  ILE  23          3HG2      ILE  23  -7.931   0.716  -1.578
  163   1HD1  ILE  23          1HD1      ILE  23  -7.131  -4.115  -1.426
  164   2HD1  ILE  23          2HD1      ILE  23  -6.347  -3.391  -0.025
  165   3HD1  ILE  23          3HD1      ILE  23  -5.715  -3.095  -1.634
  166    H    GLU  24           H        GLU  24  -7.097  -0.213  -2.835
  167    HA   GLU  24           HA       GLU  24  -6.910  -0.624  -5.071
  168   1HB   GLU  24          2HB       GLU  24  -4.915   1.420  -4.299
  169   2HB   GLU  24          1HB       GLU  24  -4.773   0.760  -5.923
  170   1HG   GLU  24          2HG       GLU  24  -7.337   1.857  -4.815
  171   2HG   GLU  24          1HG       GLU  24  -6.169   2.838  -5.701
  172    H    TRP  25           H        TRP  25  -5.528  -2.594  -3.352
  173    HA   TRP  25           HA       TRP  25  -3.828  -3.697  -5.421
  174   1HB   TRP  25          2HB       TRP  25  -2.340  -4.653  -3.504
  175   2HB   TRP  25          1HB       TRP  25  -2.041  -3.061  -4.159
  176    HD1  TRP  25           HD       TRP  25  -4.119  -4.360  -1.017
  177    HE1  TRP  25           1HE      TRP  25  -3.397  -2.829   0.988
  178    HE3  TRP  25           3HE      TRP  25  -0.789  -1.203  -3.366
  179    HZ2  TRP  25           2HZ      TRP  25  -1.818  -0.715   1.458
  180    HZ3  TRP  25           3HZ      TRP  25   0.301   0.522  -1.975
  181    HH2  TRP  25           HH       TRP  25  -0.237   0.804   0.337
  182    H    LYS  26           H        LYS  26  -6.539  -4.188  -4.486
  183    HA   LYS  26           HA       LYS  26  -7.937  -5.904  -3.927
  184   1HB   LYS  26          2HB       LYS  26  -5.837  -7.317  -5.566
  185   2HB   LYS  26          1HB       LYS  26  -7.391  -8.021  -5.140
  186   1HG   LYS  26          2HG       LYS  26  -6.965  -5.531  -6.780
  187   2HG   LYS  26          1HG       LYS  26  -7.428  -7.120  -7.392
  188   1HD   LYS  26          2HD       LYS  26  -9.500  -7.018  -6.102
  189   2HD   LYS  26          1HD       LYS  26  -9.032  -5.442  -5.463
  190   1HE   LYS  26          2HE       LYS  26  -9.052  -4.518  -7.726
  191   2HE   LYS  26          1HE       LYS  26  -9.509  -6.095  -8.369
  192   1HZ   LYS  26          1HZ       LYS  26 -11.415  -4.609  -8.116
  193   2HZ   LYS  26          2HZ       LYS  26 -11.127  -4.502  -6.454
  194   3HZ   LYS  26          3HZ       LYS  26 -11.568  -5.983  -7.141
  195    H    ASP  27           H        ASP  27  -5.845  -5.390  -1.931
  196    HA   ASP  27           HA       ASP  27  -5.143  -6.297   0.037
  197   1HB   ASP  27          2HB       ASP  27  -7.448  -7.118   0.218
  198   2HB   ASP  27          1HB       ASP  27  -7.026  -8.545  -0.720
  199    H    GLY  28           H        GLY  28  -3.677  -6.752  -2.399
  200   1HA   GLY  28          2HA       GLY  28  -2.753  -9.270  -2.928
  201   2HA   GLY  28          1HA       GLY  28  -1.716  -7.848  -2.941
  202    H    HIS  29           H        HIS  29  -1.149  -7.088  -0.604
  203    HA   HIS  29           HA       HIS  29  -0.716  -9.436   1.091
  204   1HB   HIS  29          2HB       HIS  29   1.566  -7.520   1.122
  205   2HB   HIS  29          1HB       HIS  29   1.540  -9.278   1.208
  206    HD1  HIS  29           1HD      HIS  29   1.029  -6.624  -1.478
  207    HD2  HIS  29           2HD      HIS  29   2.454 -10.498  -1.010
  208    HE1  HIS  29           1HE      HIS  29   1.931  -7.283  -3.729
  209    HE2  HIS  29           2HE      HIS  29   2.863  -9.601  -3.400
  210    H    SER  30           H        SER  30  -1.892  -8.991   2.790
  211    HA   SER  30           HA       SER  30  -2.954  -7.771   4.463
  212   1HB   SER  30          2HB       SER  30  -0.036  -7.070   4.756
  213   2HB   SER  30          1HB       SER  30  -1.246  -7.003   6.056
  214    HG   SER  30           HG       SER  30  -0.831  -9.035   6.369
  215    HA   PRO  31           HA       PRO  31  -3.767  -3.531   2.644
  216   1HB   PRO  31          2HB       PRO  31  -4.989  -3.209   5.287
  217   2HB   PRO  31          1HB       PRO  31  -5.736  -3.102   3.692
  218   1HG   PRO  31          2HG       PRO  31  -5.628  -5.377   5.529
  219   2HG   PRO  31          1HG       PRO  31  -6.647  -5.143   4.100
  220   1HD   PRO  31          2HD       PRO  31  -4.676  -6.982   4.149
  221   2HD   PRO  31          1HD       PRO  31  -5.071  -6.077   2.663
  222    H    SER  32           H        SER  32  -2.177  -2.025   2.747
  223    HA   SER  32           HA       SER  32  -0.921  -1.460   5.335
  224   1HB   SER  32          2HB       SER  32   0.322  -3.215   4.190
  225   2HB   SER  32          1HB       SER  32   0.643  -2.105   2.855
  226    HG   SER  32           HG       SER  32   2.384  -1.914   4.163
  227    H    TRP  33           H        TRP  33   1.185   0.027   4.583
  228    HA   TRP  33           HA       TRP  33   0.147   2.232   2.916
  229   1HB   TRP  33          2HB       TRP  33   0.279   2.835   5.357
  230   2HB   TRP  33          1HB       TRP  33   1.982   2.398   5.347
  231    HD1  TRP  33           HD       TRP  33   3.409   3.929   3.307
  232    HE1  TRP  33           1HE      TRP  33   3.269   6.477   2.985
  233    HE3  TRP  33           3HE      TRP  33  -0.992   4.842   5.772
  234    HZ2  TRP  33           2HZ      TRP  33   1.522   8.595   3.672
  235    HZ3  TRP  33           3HZ      TRP  33  -1.819   7.160   5.883
  236    HH2  TRP  33           HH       TRP  33  -0.586   8.993   4.836
  237    H    VAL  34           H        VAL  34   1.149   1.513   1.088
  238    HA   VAL  34           HA       VAL  34   3.970   1.875   0.837
  239    HB   VAL  34           HB       VAL  34   3.018  -0.680   1.494
  240   1HG1  VAL  34          1HG1      VAL  34   2.258  -1.400  -0.508
  241   2HG1  VAL  34          2HG1      VAL  34   3.871  -2.049  -0.435
  242   3HG1  VAL  34          3HG1      VAL  34   3.552  -0.670  -1.419
  243   1HG2  VAL  34          1HG2      VAL  34   5.725  -0.093   0.400
  244   2HG2  VAL  34          2HG2      VAL  34   5.259  -1.227   1.661
  245   3HG2  VAL  34          3HG2      VAL  34   5.170   0.504   1.954
  246    HA   PRO  35           HA       PRO  35   2.701   2.312  -3.486
  247   1HB   PRO  35          2HB       PRO  35   4.896   1.958  -4.823
  248   2HB   PRO  35          1HB       PRO  35   4.936   3.135  -3.501
  249   1HG   PRO  35          2HG       PRO  35   5.816   0.284  -3.501
  250   2HG   PRO  35          1HG       PRO  35   6.709   1.711  -2.947
  251   1HD   PRO  35          2HD       PRO  35   5.251   0.063  -1.310
  252   2HD   PRO  35          1HD       PRO  35   5.566   1.758  -0.933
  253    H    SER  36           H        SER  36   1.656   1.163  -4.979
  254    HA   SER  36           HA       SER  36   1.203  -0.450  -6.526
  255   1HB   SER  36          2HB       SER  36   3.680  -0.793  -6.700
  256   2HB   SER  36          1HB       SER  36   3.535  -2.045  -5.466
  257    HG   SER  36           HG       SER  36   3.020  -3.332  -7.026
  258    H    SER  37           H        SER  37   2.343  -2.208  -3.571
  259    HA   SER  37           HA       SER  37  -0.373  -3.198  -3.273
  260   1HB   SER  37          2HB       SER  37   0.562  -4.776  -4.847
  261   2HB   SER  37          1HB       SER  37   1.930  -5.070  -3.774
  262    HG   SER  37           HG       SER  37   0.052  -6.590  -3.727
  263    H    TYR  38           H        TYR  38   2.924  -3.762  -2.020
  264    HA   TYR  38           HA       TYR  38   2.417  -3.102   0.612
  265   1HB   TYR  38          2HB       TYR  38   0.764  -4.865   0.641
  266   2HB   TYR  38          1HB       TYR  38   1.981  -6.027   0.088
  267    HD1  TYR  38           1HD      TYR  38   0.413  -4.506   2.914
  268    HD2  TYR  38           2HD      TYR  38   3.933  -6.344   1.515
  269    HE1  TYR  38           1HE      TYR  38   1.138  -4.885   5.249
  270    HE2  TYR  38           2HE      TYR  38   4.697  -6.762   3.761
  271    HH   TYR  38           HH       TYR  38   4.304  -5.836   6.055
  272    H    ILE  39           H        ILE  39   4.207  -3.567   1.952
  273    HA   ILE  39           HA       ILE  39   6.258  -5.340   1.448
  274    HB   ILE  39           HB       ILE  39   6.789  -4.356  -0.603
  275   1HG1  ILE  39          2HG1      ILE  39   8.990  -3.492  -0.366
  276   2HG1  ILE  39          1HG1      ILE  39   8.661  -2.862   1.232
  277   1HG2  ILE  39          1HG2      ILE  39   6.958  -1.588   0.406
  278   2HG2  ILE  39          2HG2      ILE  39   5.382  -2.292   0.082
  279   3HG2  ILE  39          3HG2      ILE  39   6.574  -2.188  -1.207
  280   1HD1  ILE  39          1HD1      ILE  39   8.445  -5.162   2.069
  281   2HD1  ILE  39          2HD1      ILE  39  10.032  -4.839   1.370
  282   3HD1  ILE  39          3HD1      ILE  39   8.838  -5.761   0.457
  283    H    ALA  40           H        ALA  40   5.452  -5.031   3.690
  284    HA   ALA  40           HA       ALA  40   6.080  -2.758   5.187
  285   1HB   ALA  40          1HB       ALA  40   4.585  -4.534   5.957
  286   2HB   ALA  40          2HB       ALA  40   5.823  -4.136   7.148
  287   3HB   ALA  40          3HB       ALA  40   5.975  -5.596   6.172
  288    H    ALA  41           H        ALA  41   8.073  -1.967   4.758
  289    HA   ALA  41           HA       ALA  41  10.224  -2.697   6.325
  290   1HB   ALA  41          1HB       ALA  41  10.416  -3.843   3.543
  291   2HB   ALA  41          2HB       ALA  41  10.458  -4.725   5.069
  292   3HB   ALA  41          3HB       ALA  41  11.787  -3.654   4.635
  293    H    ASP  42           H        ASP  42   9.108  -1.286   3.327
  294    HA   ASP  42           HA       ASP  42   9.445   0.778   2.432
  295   1HB   ASP  42          2HB       ASP  42  11.366   1.325   4.703
  296   2HB   ASP  42          1HB       ASP  42  10.590   2.506   3.655
  297    H    VAL  43           H        VAL  43  11.146  -1.652   2.018
  298    HA   VAL  43           HA       VAL  43  13.567  -0.333   0.980
  299    HB   VAL  43           HB       VAL  43  13.125  -3.277   1.496
  300   1HG1  VAL  43          1HG1      VAL  43  15.603  -1.751   0.699
  301   2HG1  VAL  43          2HG1      VAL  43  14.696  -2.875  -0.313
  302   3HG1  VAL  43          3HG1      VAL  43  15.543  -3.464   1.117
  303   1HG2  VAL  43          1HG2      VAL  43  14.643  -1.201   3.071
  304   2HG2  VAL  43          2HG2      VAL  43  14.745  -2.939   3.347
  305   3HG2  VAL  43          3HG2      VAL  43  13.215  -2.097   3.591
  306    H    VAL  44           H        VAL  44  10.726  -2.126   0.124
  307    HA   VAL  44           HA       VAL  44  11.466  -1.870  -2.707
  308    HB   VAL  44           HB       VAL  44  10.004  -4.301  -1.716
  309   1HG1  VAL  44          1HG1      VAL  44  11.020  -5.216  -3.864
  310   2HG1  VAL  44          2HG1      VAL  44  11.393  -3.538  -4.262
  311   3HG1  VAL  44          3HG1      VAL  44   9.718  -4.038  -4.022
  312   1HG2  VAL  44          1HG2      VAL  44  12.139  -4.290  -0.563
  313   2HG2  VAL  44          2HG2      VAL  44  12.982  -4.022  -2.088
  314   3HG2  VAL  44          3HG2      VAL  44  12.122  -5.537  -1.810
  315    H    SER  45           H        SER  45   9.560  -2.113  -4.152
  316    HA   SER  45           HA       SER  45   7.270  -0.694  -3.006
  317   1HB   SER  45          2HB       SER  45   8.243   0.333  -4.964
  318   2HB   SER  45          1HB       SER  45   8.147  -1.180  -5.865
  319    HG   SER  45           HG       SER  45   6.189  -0.666  -6.383
  320    H    GLU  46           H        GLU  46   7.780  -3.638  -2.680
  321    HA   GLU  46           HA       GLU  46   5.164  -4.580  -2.931
  322   1HB   GLU  46          2HB       GLU  46   5.578  -4.557  -5.335
  323   2HB   GLU  46          1HB       GLU  46   7.013  -5.546  -5.118
  324   1HG   GLU  46          2HG       GLU  46   5.621  -7.375  -4.286
  325   2HG   GLU  46          1HG       GLU  46   4.185  -6.380  -4.520
  326    H    TYR  47           H        TYR  47   4.892  -6.655  -2.048
  327    HA   TYR  47           HA       TYR  47   6.850  -7.437  -0.206
  328   1HB   TYR  47          2HB       TYR  47   4.378  -7.862   0.005
  329   2HB   TYR  47          1HB       TYR  47   4.560  -9.130  -1.206
  330    HD1  TYR  47           1HD      TYR  47   6.851  -8.299   1.601
  331    HD2  TYR  47           2HD      TYR  47   4.069 -11.083  -0.019
  332    HE1  TYR  47           1HE      TYR  47   7.434  -9.905   3.372
  333    HE2  TYR  47           2HE      TYR  47   4.644 -12.696   1.747
  334    HH   TYR  47           HH       TYR  47   6.432 -11.849   4.501
  Start of MODEL   20
    1   1H    GLY   1          1HT       GLY   1  -5.111  -1.375  11.054
    2   2H    GLY   1          2HT       GLY   1  -4.428  -2.888  11.374
    3   3H    GLY   1          3HT       GLY   1  -6.078  -2.631  11.646
    4   1HA   GLY   1          1HA       GLY   1  -4.722  -2.606   9.004
    5   2HA   GLY   1          2HA       GLY   1  -5.746  -3.895   9.619
    6    H    SER   2           H        SER   2  -5.654  -1.086   7.791
    7    HA   SER   2           HA       SER   2  -8.577  -1.067   7.637
    8   1HB   SER   2          2HB       SER   2  -8.000   0.766   9.158
    9   2HB   SER   2          1HB       SER   2  -6.887   1.425   7.959
   10    HG   SER   2           HG       SER   2  -8.600   2.511   7.377
   11    H    GLY   3           H        GLY   3  -8.913  -1.688   5.601
   12   1HA   GLY   3          2HA       GLY   3  -8.804  -0.302   3.369
   13   2HA   GLY   3          1HA       GLY   3  -7.114  -0.765   3.486
   14    H    GLU   4           H        GLU   4  -7.118  -2.025   1.613
   15    HA   GLU   4           HA       GLU   4  -7.178  -4.043   0.553
   16   1HB   GLU   4          2HB       GLU   4  -7.149  -5.762   1.975
   17   2HB   GLU   4          1HB       GLU   4  -7.753  -4.697   3.219
   18   1HG   GLU   4          2HG       GLU   4 -10.009  -5.336   2.802
   19   2HG   GLU   4          1HG       GLU   4  -9.543  -6.247   1.368
   20    H    VAL   5           H        VAL   5 -10.006  -2.279   1.291
   21    HA   VAL   5           HA       VAL   5 -11.873  -3.907  -0.177
   22    HB   VAL   5           HB       VAL   5 -12.185  -0.981   0.459
   23   1HG1  VAL   5          1HG1      VAL   5 -14.164  -3.226   0.076
   24   2HG1  VAL   5          2HG1      VAL   5 -13.855  -1.888  -1.031
   25   3HG1  VAL   5          3HG1      VAL   5 -14.581  -1.578   0.546
   26   1HG2  VAL   5          1HG2      VAL   5 -12.757  -3.332   2.268
   27   2HG2  VAL   5          2HG2      VAL   5 -13.233  -1.664   2.582
   28   3HG2  VAL   5          3HG2      VAL   5 -11.523  -2.095   2.516
   29    H    ASN   6           H        ASN   6 -10.331  -0.805  -0.696
   30    HA   ASN   6           HA       ASN   6  -9.314  -0.019  -2.630
   31   1HB   ASN   6          2HB       ASN   6 -11.196  -1.679  -4.305
   32   2HB   ASN   6          1HB       ASN   6  -9.794  -0.756  -4.817
   33   1HD2  ASN   6          1HD2      ASN   6  -8.781  -2.396  -5.808
   34   2HD2  ASN   6          2HD2      ASN   6  -8.082  -3.732  -4.969
   35    H    LYS   7           H        LYS   7 -10.196   1.773  -1.753
   36    HA   LYS   7           HA       LYS   7 -12.319   2.982  -3.311
   37   1HB   LYS   7          2HB       LYS   7 -13.553   3.649  -1.250
   38   2HB   LYS   7          1HB       LYS   7 -13.543   1.909  -1.501
   39   1HG   LYS   7          2HG       LYS   7 -11.385   2.077   0.050
   40   2HG   LYS   7          1HG       LYS   7 -12.230   3.526   0.605
   41   1HD   LYS   7          2HD       LYS   7 -14.182   2.244   1.179
   42   2HD   LYS   7          1HD       LYS   7 -13.486   0.788   0.465
   43   1HE   LYS   7          2HE       LYS   7 -13.300   0.744   2.895
   44   2HE   LYS   7          1HE       LYS   7 -11.707   0.814   2.140
   45   1HZ   LYS   7          1HZ       LYS   7 -13.168   3.124   3.305
   46   2HZ   LYS   7          2HZ       LYS   7 -11.635   3.185   2.592
   47   3HZ   LYS   7          3HZ       LYS   7 -11.867   2.316   4.025
   48    H    ILE   8           H        ILE   8 -12.235   4.934  -0.734
   49    HA   ILE   8           HA       ILE   8 -10.667   6.935  -1.719
   50    HB   ILE   8           HB       ILE   8 -12.191   7.069   0.257
   51   1HG1  ILE   8          2HG1      ILE   8 -10.527   8.864  -0.305
   52   2HG1  ILE   8          1HG1      ILE   8 -10.990   8.812   1.391
   53   1HG2  ILE   8          1HG2      ILE   8  -9.898   6.071   1.916
   54   2HG2  ILE   8          2HG2      ILE   8 -11.158   4.994   1.314
   55   3HG2  ILE   8          3HG2      ILE   8 -11.577   6.327   2.394
   56   1HD1  ILE   8          1HD1      ILE   8  -8.697   9.152   1.431
   57   2HD1  ILE   8          2HD1      ILE   8  -8.404   8.008   0.124
   58   3HD1  ILE   8          3HD1      ILE   8  -8.863   7.421   1.721
   59    H    ILE   9           H        ILE   9  -8.532   6.842  -2.312
   60    HA   ILE   9           HA       ILE   9  -6.767   5.377  -0.511
   61    HB   ILE   9           HB       ILE   9  -5.320   4.985  -2.598
   62   1HG1  ILE   9          2HG1      ILE   9  -8.025   5.507  -3.845
   63   2HG1  ILE   9          1HG1      ILE   9  -6.527   6.378  -4.168
   64   1HG2  ILE   9          1HG2      ILE   9  -6.212   2.861  -2.836
   65   2HG2  ILE   9          2HG2      ILE   9  -7.861   3.410  -2.523
   66   3HG2  ILE   9          3HG2      ILE   9  -6.687   3.347  -1.213
   67   1HD1  ILE   9          1HD1      ILE   9  -5.562   4.414  -5.179
   68   2HD1  ILE   9          2HD1      ILE   9  -7.112   4.780  -5.941
   69   3HD1  ILE   9          3HD1      ILE   9  -6.991   3.467  -4.767
   70    H    GLY  10           H        GLY  10  -5.455   6.635   0.503
   71   1HA   GLY  10          2HA       GLY  10  -4.256   8.965  -0.807
   72   2HA   GLY  10          1HA       GLY  10  -4.242   8.627   0.931
   73    H    SER  11           H        SER  11  -1.895   9.070  -0.902
   74    HA   SER  11           HA       SER  11  -0.449   6.709  -0.200
   75   1HB   SER  11          2HB       SER  11   0.205   6.235  -2.614
   76   2HB   SER  11          1HB       SER  11  -1.429   5.793  -2.145
   77    HG   SER  11           HG       SER  11  -0.578   8.046  -3.631
   78    H    ARG  12           H        ARG  12   1.185   7.752   0.764
   79    HA   ARG  12           HA       ARG  12   3.148   8.990  -0.931
   80   1HB   ARG  12          2HB       ARG  12   1.680  10.621   1.137
   81   2HB   ARG  12          1HB       ARG  12   3.312  11.031   0.628
   82   1HG   ARG  12          2HG       ARG  12   2.302  12.295  -0.903
   83   2HG   ARG  12          1HG       ARG  12   2.032  10.781  -1.765
   84   1HD   ARG  12          2HD       ARG  12  -0.037  12.028  -1.619
   85   2HD   ARG  12          1HD       ARG  12  -0.152  10.565  -0.643
   86    HE   ARG  12           HE       ARG  12   0.647  12.407   1.151
   87   1HH1  ARG  12          1HH1      ARG  12  -1.930  12.355  -1.193
   88   2HH1  ARG  12          2HH1      ARG  12  -2.972  13.377  -0.260
   89   1HH2  ARG  12          1HH2      ARG  12  -0.718  13.752   2.386
   90   2HH2  ARG  12          2HH2      ARG  12  -2.283  14.172   1.774
   91    H    THR  13           H        THR  13   4.633   7.383  -0.197
   92    HA   THR  13           HA       THR  13   5.009   7.330   2.681
   93    HB   THR  13           HB       THR  13   6.550   5.399   1.111
   94    HG1  THR  13           1HG      THR  13   4.713   4.057   0.883
   95   1HG2  THR  13          1HG2      THR  13   5.586   3.943   2.994
   96   2HG2  THR  13          2HG2      THR  13   5.082   5.477   3.707
   97   3HG2  THR  13          3HG2      THR  13   6.790   5.164   3.403
   98    H    ALA  14           H        ALA  14   7.472   6.689   0.215
   99    HA   ALA  14           HA       ALA  14   8.998   8.965   1.291
  100   1HB   ALA  14          1HB       ALA  14   9.615   7.028   2.660
  101   2HB   ALA  14          2HB       ALA  14  10.974   7.645   1.721
  102   3HB   ALA  14          3HB       ALA  14  10.137   6.180   1.204
  103    H    GLY  15           H        GLY  15   9.630   6.169  -0.819
  104   1HA   GLY  15          2HA       GLY  15   9.614   6.689  -3.277
  105   2HA   GLY  15          1HA       GLY  15  10.604   8.081  -2.855
  106    H    GLU  16           H        GLU  16  12.139   6.740  -0.853
  107    HA   GLU  16           HA       GLU  16  14.201   5.657  -2.459
  108   1HB   GLU  16          2HB       GLU  16  15.424   5.418  -0.444
  109   2HB   GLU  16          1HB       GLU  16  14.415   6.841  -0.211
  110   1HG   GLU  16          2HG       GLU  16  12.859   5.572   1.124
  111   2HG   GLU  16          1HG       GLU  16  13.767   4.091   0.826
  112    H    GLY  17           H        GLY  17  11.553   4.318  -0.653
  113   1HA   GLY  17          2HA       GLY  17  12.094   1.696  -1.828
  114   2HA   GLY  17          1HA       GLY  17  11.934   1.791  -0.079
  115    H    ALA  18           H        ALA  18   9.902   3.533   0.283
  116    HA   ALA  18           HA       ALA  18   7.643   2.299  -1.124
  117   1HB   ALA  18          1HB       ALA  18   7.818   3.203   1.748
  118   2HB   ALA  18          2HB       ALA  18   7.609   1.551   1.162
  119   3HB   ALA  18          3HB       ALA  18   6.307   2.729   0.959
  120    H    MET  19           H        MET  19   5.797   3.673  -1.603
  121    HA   MET  19           HA       MET  19   6.021   6.472  -0.956
  122   1HB   MET  19          2HB       MET  19   7.393   5.650  -3.198
  123   2HB   MET  19          1HB       MET  19   5.881   6.250  -3.868
  124   1HG   MET  19          2HG       MET  19   6.249   8.345  -2.534
  125   2HG   MET  19          1HG       MET  19   7.860   7.729  -2.173
  126   1HE   MET  19          1HE       MET  19   8.436  10.606  -4.825
  127   2HE   MET  19          2HE       MET  19   8.748  10.074  -3.173
  128   3HE   MET  19          3HE       MET  19   7.122  10.563  -3.649
  129    H    GLU  20           H        GLU  20   3.893   4.329  -0.832
  130    HA   GLU  20           HA       GLU  20   1.775   6.053  -1.692
  131   1HB   GLU  20          2HB       GLU  20   1.997   3.298  -2.858
  132   2HB   GLU  20          1HB       GLU  20   0.517   4.231  -2.894
  133   1HG   GLU  20          2HG       GLU  20   2.181   5.993  -3.998
  134   2HG   GLU  20          1HG       GLU  20   3.033   4.504  -4.429
  135    H    TYR  21           H        TYR  21  -0.507   4.477  -1.122
  136    HA   TYR  21           HA       TYR  21   0.118   3.201   1.339
  137   1HB   TYR  21          2HB       TYR  21   0.260   5.142   2.348
  138   2HB   TYR  21          1HB       TYR  21  -0.878   5.912   1.292
  139    HD1  TYR  21           1HD      TYR  21  -2.007   7.073   2.896
  140    HD2  TYR  21           2HD      TYR  21  -1.738   2.816   3.252
  141    HE1  TYR  21           1HE      TYR  21  -3.692   7.136   4.640
  142    HE2  TYR  21           2HE      TYR  21  -3.433   2.888   5.039
  143    HH   TYR  21           HH       TYR  21  -5.333   5.633   5.691
  144    H    LEU  22           H        LEU  22  -2.827   4.680   0.304
  145    HA   LEU  22           HA       LEU  22  -4.189   2.442   1.487
  146   1HB   LEU  22          2HB       LEU  22  -5.099   4.981   0.288
  147   2HB   LEU  22          1HB       LEU  22  -6.252   3.717   0.630
  148    HG   LEU  22           HG       LEU  22  -4.449   5.016   2.656
  149   1HD1  LEU  22          1HD1      LEU  22  -5.989   6.664   2.357
  150   2HD1  LEU  22          2HD1      LEU  22  -6.873   5.657   3.502
  151   3HD1  LEU  22          3HD1      LEU  22  -7.227   5.551   1.778
  152   1HD2  LEU  22          1HD2      LEU  22  -6.606   2.936   2.931
  153   2HD2  LEU  22          2HD2      LEU  22  -5.877   3.800   4.284
  154   3HD2  LEU  22          3HD2      LEU  22  -4.887   2.743   3.277
  155    H    ILE  23           H        ILE  23  -5.485   1.089   0.720
  156    HA   ILE  23           HA       ILE  23  -5.515  -0.744  -0.725
  157    HB   ILE  23           HB       ILE  23  -7.610   0.648  -2.175
  158   1HG1  ILE  23          2HG1      ILE  23  -7.429   2.041  -0.052
  159   2HG1  ILE  23          1HG1      ILE  23  -8.985   1.271  -0.325
  160   1HG2  ILE  23          1HG2      ILE  23  -8.615  -1.230  -0.369
  161   2HG2  ILE  23          2HG2      ILE  23  -7.041  -1.848  -0.837
  162   3HG2  ILE  23          3HG2      ILE  23  -8.238  -1.491  -2.063
  163   1HD1  ILE  23          1HD1      ILE  23  -6.905  -0.015   1.394
  164   2HD1  ILE  23          2HD1      ILE  23  -8.649  -0.272   1.374
  165   3HD1  ILE  23          3HD1      ILE  23  -7.985   1.226   2.026
  166    H    GLU  24           H        GLU  24  -6.801  -0.419  -3.423
  167    HA   GLU  24           HA       GLU  24  -6.211  -0.085  -5.592
  168   1HB   GLU  24          2HB       GLU  24  -4.554   1.785  -4.343
  169   2HB   GLU  24          1HB       GLU  24  -3.455   0.787  -5.290
  170   1HG   GLU  24          2HG       GLU  24  -5.893   2.204  -6.339
  171   2HG   GLU  24          1HG       GLU  24  -4.224   2.733  -6.539
  172    H    TRP  25           H        TRP  25  -4.768  -1.996  -3.248
  173    HA   TRP  25           HA       TRP  25  -3.534  -3.635  -5.342
  174   1HB   TRP  25          2HB       TRP  25  -2.136  -4.602  -3.408
  175   2HB   TRP  25          1HB       TRP  25  -1.686  -3.044  -4.073
  176    HD1  TRP  25           HD       TRP  25  -3.816  -4.261  -0.990
  177    HE1  TRP  25           1HE      TRP  25  -3.163  -2.699   1.009
  178    HE3  TRP  25           3HE      TRP  25  -0.584  -1.094  -3.339
  179    HZ2  TRP  25           2HZ      TRP  25  -1.622  -0.530   1.451
  180    HZ3  TRP  25           3HZ      TRP  25   0.487   0.679  -2.000
  181    HH2  TRP  25           HH       TRP  25  -0.021   0.992   0.318
  182    H    LYS  26           H        LYS  26  -6.268  -3.586  -4.294
  183    HA   LYS  26           HA       LYS  26  -7.871  -4.953  -3.359
  184   1HB   LYS  26          2HB       LYS  26  -7.601  -5.560  -5.738
  185   2HB   LYS  26          1HB       LYS  26  -6.481  -6.830  -5.267
  186   1HG   LYS  26          2HG       LYS  26  -8.275  -7.911  -3.980
  187   2HG   LYS  26          1HG       LYS  26  -9.392  -6.655  -4.517
  188   1HD   LYS  26          2HD       LYS  26  -8.982  -7.316  -6.852
  189   2HD   LYS  26          1HD       LYS  26  -7.908  -8.597  -6.287
  190   1HE   LYS  26          2HE       LYS  26  -9.783  -9.605  -5.059
  191   2HE   LYS  26          1HE       LYS  26 -10.850  -8.339  -5.666
  192   1HZ   LYS  26          1HZ       LYS  26 -10.404  -9.106  -7.920
  193   2HZ   LYS  26          2HZ       LYS  26 -11.055 -10.350  -6.975
  194   3HZ   LYS  26          3HZ       LYS  26  -9.401 -10.332  -7.325
  195    H    ASP  27           H        ASP  27  -6.418  -4.959  -1.268
  196    HA   ASP  27           HA       ASP  27  -5.547  -6.107   0.506
  197   1HB   ASP  27          2HB       ASP  27  -6.861  -7.999   1.216
  198   2HB   ASP  27          1HB       ASP  27  -7.935  -6.813   0.485
  199    H    GLY  28           H        GLY  28  -4.183  -6.530  -2.091
  200   1HA   GLY  28          2HA       GLY  28  -3.381  -9.119  -2.595
  201   2HA   GLY  28          1HA       GLY  28  -2.331  -7.718  -2.780
  202    H    HIS  29           H        HIS  29  -1.500  -6.847  -0.594
  203    HA   HIS  29           HA       HIS  29  -1.003  -9.065   1.239
  204   1HB   HIS  29          2HB       HIS  29   1.362  -7.259   0.887
  205   2HB   HIS  29          1HB       HIS  29   1.266  -8.992   1.173
  206    HD1  HIS  29           1HD      HIS  29   0.223  -6.821  -1.788
  207    HD2  HIS  29           2HD      HIS  29   2.344 -10.283  -0.904
  208    HE1  HIS  29           1HE      HIS  29   0.989  -7.728  -4.006
  209    HE2  HIS  29           2HE      HIS  29   2.195  -9.868  -3.451
  210    H    SER  30           H        SER  30  -2.232  -8.366   2.831
  211    HA   SER  30           HA       SER  30  -3.083  -7.023   4.498
  212   1HB   SER  30          2HB       SER  30  -0.122  -6.568   4.649
  213   2HB   SER  30          1HB       SER  30  -1.256  -6.218   5.963
  214    HG   SER  30           HG       SER  30  -0.672  -8.744   4.809
  215    HA   PRO  31           HA       PRO  31  -3.839  -2.785   2.751
  216   1HB   PRO  31          2HB       PRO  31  -4.887  -2.324   5.421
  217   2HB   PRO  31          1HB       PRO  31  -5.766  -2.377   3.891
  218   1HG   PRO  31          2HG       PRO  31  -5.344  -4.512   5.892
  219   2HG   PRO  31          1HG       PRO  31  -6.631  -4.339   4.691
  220   1HD   PRO  31          2HD       PRO  31  -4.773  -6.208   4.373
  221   2HD   PRO  31          1HD       PRO  31  -5.307  -5.256   2.967
  222    H    SER  32           H        SER  32  -1.853  -1.905   2.675
  223    HA   SER  32           HA       SER  32  -0.462  -1.276   5.187
  224   1HB   SER  32          2HB       SER  32   0.641  -3.049   4.155
  225   2HB   SER  32          1HB       SER  32   0.577  -2.263   2.579
  226    HG   SER  32           HG       SER  32   2.355  -1.945   4.657
  227    H    TRP  33           H        TRP  33   1.445   0.256   4.688
  228    HA   TRP  33           HA       TRP  33   0.508   2.428   2.938
  229   1HB   TRP  33          2HB       TRP  33   0.901   2.986   5.426
  230   2HB   TRP  33          1HB       TRP  33   2.610   2.653   5.133
  231    HD1  TRP  33           HD       TRP  33   3.544   4.105   2.844
  232    HE1  TRP  33           1HE      TRP  33   3.212   6.594   2.390
  233    HE3  TRP  33           3HE      TRP  33  -0.421   5.008   5.956
  234    HZ2  TRP  33           2HZ      TRP  33   1.510   8.684   3.199
  235    HZ3  TRP  33           3HZ      TRP  33  -1.342   7.294   6.039
  236    HH2  TRP  33           HH       TRP  33  -0.397   9.090   4.666
  237    H    VAL  34           H        VAL  34   1.363   1.947   1.044
  238    HA   VAL  34           HA       VAL  34   4.171   1.454   0.782
  239    HB   VAL  34           HB       VAL  34   3.918  -0.784   1.030
  240   1HG1  VAL  34          1HG1      VAL  34   2.098  -1.701   1.725
  241   2HG1  VAL  34          2HG1      VAL  34   1.258  -1.434   0.206
  242   3HG1  VAL  34          3HG1      VAL  34   1.258  -0.187   1.440
  243   1HG2  VAL  34          1HG2      VAL  34   3.902  -1.927  -0.927
  244   2HG2  VAL  34          2HG2      VAL  34   3.807  -0.355  -1.663
  245   3HG2  VAL  34          3HG2      VAL  34   2.352  -1.279  -1.410
  246    HA   PRO  35           HA       PRO  35   4.090   3.490  -3.070
  247   1HB   PRO  35          2HB       PRO  35   5.723   1.847  -4.556
  248   2HB   PRO  35          1HB       PRO  35   6.281   3.032  -3.371
  249   1HG   PRO  35          2HG       PRO  35   5.840   0.086  -3.054
  250   2HG   PRO  35          1HG       PRO  35   7.197   1.082  -2.494
  251   1HD   PRO  35          2HD       PRO  35   5.301   0.347  -0.801
  252   2HD   PRO  35          1HD       PRO  35   5.932   1.972  -0.744
  253    H    SER  36           H        SER  36   2.760   0.267  -3.159
  254    HA   SER  36           HA       SER  36   1.067   0.878  -5.275
  255   1HB   SER  36          2HB       SER  36   2.104  -0.551  -7.102
  256   2HB   SER  36          1HB       SER  36   2.892   0.993  -6.789
  257    HG   SER  36           HG       SER  36   4.286  -0.928  -6.970
  258    H    SER  37           H        SER  37   2.633  -1.611  -3.403
  259    HA   SER  37           HA       SER  37   0.196  -3.198  -3.698
  260   1HB   SER  37          2HB       SER  37   1.788  -4.200  -5.258
  261   2HB   SER  37          1HB       SER  37   2.988  -4.330  -3.975
  262    HG   SER  37           HG       SER  37   1.384  -5.673  -2.873
  263    H    TYR  38           H        TYR  38   3.322  -3.724  -2.157
  264    HA   TYR  38           HA       TYR  38   2.679  -3.002   0.417
  265   1HB   TYR  38          2HB       TYR  38   0.986  -4.687   0.440
  266   2HB   TYR  38          1HB       TYR  38   2.154  -5.894  -0.111
  267    HD1  TYR  38           1HD      TYR  38   0.638  -4.339   2.705
  268    HD2  TYR  38           2HD      TYR  38   4.115  -6.338   1.390
  269    HE1  TYR  38           1HE      TYR  38   1.233  -4.787   5.028
  270    HE2  TYR  38           2HE      TYR  38   4.757  -6.815   3.669
  271    HH   TYR  38           HH       TYR  38   4.329  -5.916   5.939
  272    H    ILE  39           H        ILE  39   4.540  -2.927   1.552
  273    HA   ILE  39           HA       ILE  39   6.568  -4.892   0.898
  274    HB   ILE  39           HB       ILE  39   8.130  -3.560  -0.031
  275   1HG1  ILE  39          2HG1      ILE  39   8.496  -1.909   1.707
  276   2HG1  ILE  39          1HG1      ILE  39   8.238  -1.048   0.201
  277   1HG2  ILE  39          1HG2      ILE  39   5.719  -1.920  -0.709
  278   2HG2  ILE  39          2HG2      ILE  39   6.089  -3.490  -1.418
  279   3HG2  ILE  39          3HG2      ILE  39   7.171  -2.121  -1.685
  280   1HD1  ILE  39          1HD1      ILE  39   6.155  -0.286   0.832
  281   2HD1  ILE  39          2HD1      ILE  39   7.080  -0.203   2.332
  282   3HD1  ILE  39          3HD1      ILE  39   5.954  -1.532   2.062
  283    H    ALA  40           H        ALA  40   4.912  -4.213   3.204
  284    HA   ALA  40           HA       ALA  40   6.526  -2.820   5.085
  285   1HB   ALA  40          1HB       ALA  40   3.977  -3.778   5.033
  286   2HB   ALA  40          2HB       ALA  40   4.788  -3.090   6.442
  287   3HB   ALA  40          3HB       ALA  40   4.759  -4.838   6.208
  288    H    ALA  41           H        ALA  41   8.561  -3.598   4.892
  289    HA   ALA  41           HA       ALA  41   9.751  -5.198   6.624
  290   1HB   ALA  41          1HB       ALA  41   8.729  -6.978   4.418
  291   2HB   ALA  41          2HB       ALA  41   8.499  -7.157   6.158
  292   3HB   ALA  41          3HB       ALA  41  10.092  -7.418   5.449
  293    H    ASP  42           H        ASP  42  10.315  -3.047   4.852
  294    HA   ASP  42           HA       ASP  42  11.996  -2.159   3.625
  295   1HB   ASP  42          2HB       ASP  42  13.410  -3.170   5.339
  296   2HB   ASP  42          1HB       ASP  42  13.432  -4.690   4.449
  297    H    VAL  43           H        VAL  43  10.886  -2.263   1.630
  298    HA   VAL  43           HA       VAL  43  12.267  -3.785  -0.367
  299    HB   VAL  43           HB       VAL  43   9.554  -4.416  -0.978
  300   1HG1  VAL  43          1HG1      VAL  43  11.940  -6.131  -0.317
  301   2HG1  VAL  43          2HG1      VAL  43  11.472  -5.536  -1.910
  302   3HG1  VAL  43          3HG1      VAL  43  10.454  -6.708  -1.072
  303   1HG2  VAL  43          1HG2      VAL  43   9.153  -4.374   1.455
  304   2HG2  VAL  43          2HG2      VAL  43  10.438  -5.559   1.673
  305   3HG2  VAL  43          3HG2      VAL  43   8.982  -5.990   0.775
  306    H    VAL  44           H        VAL  44  10.530  -3.530  -2.520
  307    HA   VAL  44           HA       VAL  44   9.661  -0.741  -2.487
  308    HB   VAL  44           HB       VAL  44  10.938  -0.083  -4.402
  309   1HG1  VAL  44          1HG1      VAL  44  11.949  -0.209  -2.002
  310   2HG1  VAL  44          2HG1      VAL  44  12.979   0.204  -3.372
  311   3HG1  VAL  44          3HG1      VAL  44  12.999  -1.433  -2.716
  312   1HG2  VAL  44          1HG2      VAL  44  12.669  -1.595  -5.367
  313   2HG2  VAL  44          2HG2      VAL  44  11.014  -2.129  -5.660
  314   3HG2  VAL  44          3HG2      VAL  44  11.987  -2.913  -4.416
  315    H    SER  45           H        SER  45   7.797  -0.519  -3.425
  316    HA   SER  45           HA       SER  45   5.936  -0.849  -4.685
  317   1HB   SER  45          2HB       SER  45   7.520  -0.126  -6.428
  318   2HB   SER  45          1HB       SER  45   7.944  -1.811  -6.728
  319    HG   SER  45           HG       SER  45   6.383  -1.223  -8.202
  320    H    GLU  46           H        GLU  46   7.187  -3.309  -3.202
  321    HA   GLU  46           HA       GLU  46   5.125  -5.107  -3.759
  322   1HB   GLU  46          2HB       GLU  46   6.721  -5.164  -5.862
  323   2HB   GLU  46          1HB       GLU  46   7.645  -6.263  -4.848
  324   1HG   GLU  46          2HG       GLU  46   5.731  -7.725  -4.626
  325   2HG   GLU  46          1HG       GLU  46   4.741  -6.606  -5.562
  326    H    TYR  47           H        TYR  47   5.107  -6.898  -2.391
  327    HA   TYR  47           HA       TYR  47   6.795  -6.715  -0.103
  328   1HB   TYR  47          2HB       TYR  47   4.354  -7.305  -0.045
  329   2HB   TYR  47          1HB       TYR  47   4.767  -8.848  -0.794
  330    HD1  TYR  47           1HD      TYR  47   6.498  -6.973   1.927
  331    HD2  TYR  47           2HD      TYR  47   4.358 -10.476   0.810
  332    HE1  TYR  47           1HE      TYR  47   6.927  -7.937   4.148
  333    HE2  TYR  47           2HE      TYR  47   4.782 -11.449   3.028
  334    HH   TYR  47           HH       TYR  47   6.380 -11.214   4.868