*HEADER   GLUCOCORTICOID RECEPTOR                 15-MAR-94   2GDA    
*COMPND   GLUCOCORTICOID RECEPTOR (DNA BINDING DOMAIN, GR-DBD)        
*COMPND  2 (NMR, 24 STRUCTURES)                                       
*SOURCE   RAT (RATTUS NORVEGICUS) RECOMBINANT FORM EXPRESSED IN       
*SOURCE  2 (ESCHERICHIA COLI)                                         
*EXPDTA   NMR                                                         
*AUTHOR   H.BAUMANN,K.PAULSEN,H.KOVACS,H.BERGLUND,A.P.H.WRIGHT,       
*AUTHOR  2 J.-A.GUSTAFSSON,T.HARD                                     
*REVDAT  1   22-JUN-94 2GDA    0                                      



! Restraint file for distance geometry
! Baumann et al., Refined solution structure of GR-DBD
!
!BIOSYM restraint 1
!
#remote_prochiral_center
1:VAL_454:HG1*  1:VAL_454:HG2*  1:VAL_454:CG1   1:VAL_454:CG2   1:VAL_454:CB   
1:VAL_442:HG1*  1:VAL_442:HG2*  1:VAL_442:CG1   1:VAL_442:CG2   1:VAL_442:CB   
1:VAL_462:HG1*  1:VAL_462:HG2*  1:VAL_462:CG1   1:VAL_462:CG2   1:VAL_462:CB   
1:VAL_468:HG2*  1:VAL_468:HG1*  1:VAL_468:CG2   1:VAL_468:CG1   1:VAL_468:CB   
!
#chiral
1:LEUN_439:CA      S
1:CYS_440:CA       R
1:LEU_441:CA       S
1:VAL_442:CA       S
1:CYS_443:CA       R
1:SER_444:CA       S
1:ASP-_445:CA      S
1:GLU-_446:CA      S
1:ALA_447:CA       S
1:SER_448:CA       S
1:CYSH_450:CA      R
1:HIS_451:CA       S
1:TYR_452:CA       S
1:VAL_454:CA       S
1:LEU_455:CA       S
1:THR_456:CA       S
1:THR_456:CB       R
1:CYS_457:CA       R
1:SER_459:CA       S
1:CYS_460:CA       R
1:LYS+_461:CA      S
1:VAL_462:CA       S
1:PHE_463:CA       S
1:PHE_464:CA       S
1:LYS+_465:CA      S
1:ARG+_466:CA      S
1:ALA_467:CA       S
1:VAL_468:CA       S
1:GLU-_469:CA      S
1:GLN_471:CA       S
1:HIS_472:CA       S
1:ASN_473:CA       S
1:TYR_474:CA       S
1:LEU_475:CA       S
1:CYS_476:CA      R
1:ALA_477:CA       S
1:ARG+_479:CA      S
1:ASN_480:CA       S
1:ASP-_481:CA      S
1:CYS_482:CA       R
1:ILE_483:CA       S
1:ILE_483:CB       S
1:ILE_484:CA       S
1:ILE_484:CB       S
1:ASP-_485:CA      S
1:LYS+_486:CA      S
1:ILE_487:CA       S
1:ILE_487:CB       S
1:ARG+_488:CA      S
1:ARG+_489:CA      S
1:LYS+_490:CA      S
1:ASN_491:CA       S
1:CYS_492:CA       R
1:PRO_493:CA       S
1:ALA_494:CA       S
1:CYS_495:CA       R
1:ARG+_496:CA      S
1:TYR_497:CA       S
1:ARG+_498:CA      S
1:LYS+_499:CA      S
1:CYSH_500:CA      R
1:LEU_501:CA       S
1:GLN_502:CA       S
1:ALA_503:CA       S
1:MET_505:CA       S
1:ASN_506:CA       S
1:LEU_507:CA       S
1:GLU-_508:CA      S
1:ALA_509:CA       S
1:AR+C_510:CA      S
!
#distance
1:CYS_440:SG      1:ZN_511:ZN       2.320  2.380 1000.00 1000.00 1000.000
1:CYS_443:SG      1:ZN_511:ZN       2.320  2.380 1000.00 1000.00 1000.000
1:CYS_457:SG      1:ZN_511:ZN       2.320  2.380 1000.00 1000.00 1000.000
1:CYS_460:SG      1:ZN_511:ZN       2.320  2.380 1000.00 1000.00 1000.000
1:CYS_476:SG      1:ZN_512:ZN       2.320  2.380 1000.00 1000.00 1000.000
1:CYS_482:SG      1:ZN_512:ZN       2.320  2.380 1000.00 1000.00 1000.000
1:CYS_492:SG      1:ZN_512:ZN       2.320  2.380 1000.00 1000.00 1000.000
1:CYS_495:SG      1:ZN_512:ZN       2.320  2.380 1000.00 1000.00 1000.000
1:CYS_440:SG      1:CYS_443:SG       3.800  3.850 1000.00 1000.00 1000.000
1:CYS_440:SG      1:CYS_457:SG       3.800  3.850 1000.00 1000.00 1000.000
1:CYS_440:SG      1:CYS_460:SG       3.800  3.850 1000.00 1000.00 1000.000
1:CYS_443:SG      1:CYS_457:SG       3.800  3.850 1000.00 1000.00 1000.000
1:CYS_443:SG      1:CYS_460:SG       3.800  3.850 1000.00 1000.00 1000.000
1:CYS_457:SG      1:CYS_460:SG       3.800  3.850 1000.00 1000.00 1000.000
1:CYS_476:SG      1:CYS_482:SG       3.800  3.850 1000.00 1000.00 1000.000
1:CYS_476:SG      1:CYS_492:SG       3.800  3.850 1000.00 1000.00 1000.000
1:CYS_476:SG      1:CYS_495:SG       3.800  3.850 1000.00 1000.00 1000.000
1:CYS_482:SG      1:CYS_492:SG       3.800  3.850 1000.00 1000.00 1000.000
1:CYS_482:SG      1:CYS_495:SG       3.800  3.850 1000.00 1000.00 1000.000
1:CYS_492:SG      1:CYS_495:SG       3.800  3.850 1000.00 1000.00 1000.000
!
#NOE_distance
1:CYS_440:HA      1:ASP-_445:HN      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_440:HA      1:CYS_440:HBS      -1.000  2.700  2.700 25.00 25.00 1000.000  0.00
1:CYS_440:HA      1:CYS_457:HBR      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_440:HA      1:CYS_457:HN       -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:CYS_440:HA      1:LEU_441:HN       -1.000  2.400  2.400 25.00 25.00 1000.000  0.00
1:CYS_440:HA      1:SER_444:HN       -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_440:HA      1:THR_456:HA       -1.000  2.700  2.700 25.00 25.00 1000.000  0.00
1:CYS_440:HA      1:VAL_442:HN       -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_440:HBR     1:ALA_447:HB*      -1.000  5.300  5.000 25.00 25.00 1000.000  0.00
1:CYS_440:HBR     1:ASP-_445:HN      -1.000  2.700  2.700 25.00 25.00 1000.000  0.00
1:CYS_440:HBR     1:CYS_443:HN       -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:CYS_440:HBR     1:CYS_457:HN       -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_440:HBR     1:SER_444:HA       -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_440:HBR     1:SER_444:HN       -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:CYS_440:HBR     1:VAL_442:HN       -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_440:HBS     1:CYS_443:HN       -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_440:HBS     1:CYS_457:HA       -1.000  2.700  2.700 25.00 25.00 1000.000  0.00
1:CYS_440:HBS     1:CYS_457:HBS      -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:CYS_440:HBS     1:CYS_457:HN       -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:CYS_440:HBS     1:LEU_441:HN       -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_440:HBS     1:SER_444:HN       -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_440:HBS      1:THR_456:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_440:HBS      1:VAL_442:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_440:HBS     1:ASP-_445:HBS      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_440:HN       1:ALA_447:HB*      -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:CYS_440:HN       1:ALA_447:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_440:HN       1:ASP-_445:HA      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_440:HN       1:ASP-_445:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_440:HN       1:CYS_440:HBR      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:CYS_440:HN       1:CYS_440:HBS      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:CYS_440:HN       1:CYS_457:HBR      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_440:HN       1:CYS_457:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_440:HN       1:LEU_441:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_440:HN       1:LEU_441:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_440:HN       1:SER_444:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_440:HN       1:SER_444:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_440:HN       1:THR_456:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LEU_441:HA       1:ASP-_445:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LEU_441:HA       1:CYS_443:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LEU_441:HA       1:LEU_441:HD*      -1.000  5.500  3.300 25.00 25.00
1000.000  0.00
1:LEU_441:HA       1:LEU_441:HG       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:LEU_441:HA       1:THR_456:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LEU_441:HA       1:VAL_442:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LEU_441:HB*      1:THR_456:HA       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:LEU_441:HB*      1:VAL_442:HN       -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:LEU_441:HD*      1:LEU_455:HN       -1.000  4.900  2.700 25.00 25.00
1000.000  0.00
1:LEU_441:HD*      1:VAL_442:HN       -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:LEU_441:HD*      1:VAL_454:HA       -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:LEU_441:HD*      1:VAL_454:HGR*     -1.000  7.500  5.000 25.00 25.00
1000.000  0.00
1:LEU_441:HD*      1:VAL_454:HGS*     -1.000  7.500  5.000 25.00 25.00
1000.000  0.00
1:LEU_441:HG       1:LEU_455:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LEU_441:HG       1:VAL_442:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LEU_441:HN       1:CYS_443:HN      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:LEU_441:HN       1:LEU_441:HA       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:LEU_441:HN       1:LEU_441:HB*      -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:LEU_441:HN       1:LEU_441:HD*      -1.000  5.500  3.300 25.00 25.00
1000.000  0.00
1:LEU_441:HN       1:LEU_441:HG       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:LEU_441:HN       1:THR_456:HA       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:LEU_441:HN       1:THR_456:HG2*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:LEU_441:HN       1:VAL_442:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:VAL_442:HA       1:CYS_443:HN      -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:VAL_442:HA       1:VAL_442:HGR*     -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:VAL_442:HA       1:VAL_442:HGS*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_442:HB       1:CYS_443:HN      -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:VAL_442:HB       1:CYSH_500:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:VAL_442:HB       1:LYS+_499:HB*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:VAL_442:HB       1:LYS+_499:HG*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:VAL_442:HB       1:SER_444:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:VAL_442:HB       1:THR_456:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:VAL_442:HGR*     1:CYS_443:HA      -1.000  5.300  5.000 25.00 25.00 1000.000  0.00
1:VAL_442:HGR*     1:CYSH_500:HA      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_442:HGR*     1:CYSH_500:HB*     -1.000  3.000  2.700 25.00 25.00
1000.000  0.00
1:VAL_442:HGR*     1:LYS+_499:HD*     -1.000  6.200  5.000 25.00 25.00
1000.000  0.00
1:VAL_442:HGR*     1:SER_444:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_442:HGS*     1:CYS_460:HB*     -1.000  6.200  5.000 25.00 25.00 1000.000  0.00
1:VAL_442:HGS*     1:CYSH_500:HA      -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:VAL_442:HGS*     1:CYSH_500:HB*     -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:VAL_442:HGS*     1:CYSH_500:HN      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_442:HGS*     1:SER_444:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_442:HN       1:ASP-_445:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:VAL_442:HN       1:CYS_443:HN      -1.000  2.700  2.700 25.00 25.00 1000.000  0.00
1:VAL_442:HN       1:SER_444:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:VAL_442:HN       1:THR_456:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:VAL_442:HN       1:THR_456:HG2*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_442:HN       1:VAL_442:HB       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:VAL_442:HN       1:VAL_442:HGR*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_442:HN       1:VAL_442:HGS*     -1.000  3.000  2.700 25.00 25.00
1000.000  0.00
1:CYS_443:HA      1:ASP-_485:HA      -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:CYS_443:HA      1:ILE_484:HB       -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_443:HA      1:ILE_484:HG2*     -1.000  3.600  3.300 25.00 25.00 1000.000  0.00
1:CYS_443:HA      1:SER_444:HN       -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_443:HBR     1:ASP-_485:HA      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_443:HBR     1:ILE_484:HG2*     -1.000  3.600  3.300 25.00 25.00 1000.000  0.00
1:CYS_443:HBS     1:ARG+_489:HB*     -1.000  4.200  3.300 25.00 25.00 1000.000  0.00
1:CYS_443:HBS     1:ASP-_485:HA      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_443:HBS     1:ILE_484:HG2*     -1.000  3.600  3.300 25.00 25.00 1000.000  0.00
1:CYS_443:HBS     1:LYS+_486:HN      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_443:HN      1:CYS_443:HBR     -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_443:HN      1:CYS_443:HBS     -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_443:HN      1:SER_444:HN       -1.000  2.700  2.700 25.00 25.00 1000.000  0.00
1:SER_444:HA       1:ASP-_445:HBS     -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:SER_444:HA       1:ASP-_445:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:SER_444:HBS      1:ASP-_485:HBS     -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:SER_444:HN       1:ASP-_445:HN      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:SER_444:HN       1:ASP-_485:HBS     -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:SER_444:HN       1:ILE_484:HG2*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:SER_444:HN       1:SER_444:HA       -1.000  2.400  2.400 25.00 25.00
1000.000  0.00
1:SER_444:HN       1:SER_444:HBR      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:SER_444:HN       1:SER_444:HBS      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:ASP-_445:HA      1:GLU-_446:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASP-_445:HBR     1:GLU-_446:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASP-_445:HBR     1:LYS+_486:HB*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ASP-_445:HBR     1:LYS+_486:HG*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ASP-_445:HBS     1:GLU-_446:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASP-_445:HBS     1:LYS+_486:HG*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ASP-_445:HN      1:ASP-_445:HBR     -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ASP-_445:HN      1:ASP-_445:HBS     -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ASP-_445:HN      1:GLU-_446:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:GLU-_446:HA      1:ALA_447:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:GLU-_446:HA      1:GLU-_446:HG*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:GLU-_446:HB*     1:ALA_447:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:GLU-_446:HG*     1:ALA_447:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:GLU-_446:HN      1:ALA_447:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:GLU-_446:HN      1:GLU-_446:HG*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:GLU-_446:HN      1:GLU-_446:HA      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:GLU-_446:HN      1:GLU-_446:HB*     -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:ALA_447:HA       1:CYS_457:HA       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ALA_447:HA       1:CYS_457:HBS      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ALA_447:HA       1:SER_448:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ALA_447:HB*      1:CYS_457:HA       -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:ALA_447:HB*      1:CYS_457:HBS      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ALA_447:HB*      1:GLY_449:HN       -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:ALA_447:HB*      1:LEU_455:HA       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ALA_447:HB*      1:LEU_455:HD*      -1.000  5.800  3.300 25.00 25.00
1000.000  0.00
1:ALA_447:HB*      1:LEU_455:HG       -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:ALA_447:HB*      1:SER_448:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ALA_447:HB*      1:THR_456:HA       -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:ALA_447:HB*      1:THR_456:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ALA_447:HN       1:ALA_447:HB*      -1.000  3.000  2.700 25.00 25.00
1000.000  0.00
1:SER_448:HA       1:CYS_457:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:SER_448:HN       1:CYS_457:HA       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:SER_448:HN       1:CYS_457:HBS      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:SER_448:HN       1:GLY_449:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:SER_448:HN       1:LEU_455:HD*      -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:GLY_449:HA*      1:CYSH_450:HN       -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:GLY_449:HN       1:CYS_457:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:GLY_449:HN       1:LEU_455:HD*      -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:CYSH_450:HN       1:CYSH_450:HB*      -1.000  3.600  2.700 25.00
25.00 1000.000  0.00
1:CYSH_450:HN       1:LEU_455:HD*      -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:CYSH_450:HA       1:HIS_451:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:CYSH_450:HA       1:THR_456:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:CYSH_450:HB*      1:HIS_451:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:HIS_451:HN       1:VAL_454:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:HIS_451:HN       1:THR_456:HG2*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:HIS_451:HB*      1:LYS+_461:HG*     -1.000  5.100  3.300 25.00 25.00
1000.000  0.00
1:HIS_451:HD2      1:LYS+_461:HG*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:TYR_452:HA       1:ALA_509:HB*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HA       1:ASN_506:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HA       1:GLY_453:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:TYR_452:HA       1:PHE_464:HE*      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HBS      1:ASN_506:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:TYR_452:HBS      1:GLY_453:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HBS      1:MET_505:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HBS      1:MET_505:HE*      -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:TYR_452:HBR      1:ASN_506:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:TYR_452:HBR      1:GLY_453:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HBR      1:LEU_507:HD*      -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HBR      1:MET_505:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HBR      1:MET_505:HE*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HBR      1:PHE_464:HE*      -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:TYR_452:HBS      1:PHE_464:HZ       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HD1      1:GLY_453:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HD1      1:LEU_507:HA       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:TYR_452:HD1      1:LEU_507:HB*      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HD1      1:LEU_507:HD*      -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HD1      1:LYS+_461:HG*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HD1      1:LYS+_465:HB*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HD1      1:TYR_452:HA       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:TYR_452:HD2      1:TYR_452:HBR      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:TYR_452:HD2      1:GLY_453:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HD2      1:LEU_507:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HD2      1:LEU_507:HB*      -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:TYR_452:HD2      1:LEU_507:HD*      -1.000  5.500  3.300 25.00 25.00
1000.000  0.00
1:TYR_452:HD2      1:LYS+_461:HA      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:TYR_452:HD2      1:LYS+_461:HG*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:TYR_452:HD2      1:LYS+_465:HB*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HD2      1:LYS+_465:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HD2      1:MET_505:HE*      -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:TYR_452:HD2      1:PHE_464:HBS      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:TYR_452:HD2      1:PHE_464:HD*      -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:TYR_452:HD2      1:TYR_452:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HD1      1:TYR_452:HBS      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HD1      1:TYR_452:HBR      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HE*      1:LEU_507:HA       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HE*      1:LEU_507:HD*      -1.000  7.600  3.300 25.00 25.00
1000.000  0.00
1:TYR_452:HE*      1:LYS+_461:HA      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HE*      1:LYS+_465:HN      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HE*      1:MET_505:HE*      -1.000  5.700  3.300 25.00 25.00
1000.000  0.00
1:TYR_452:HE*      1:PHE_464:HA       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HE*      1:PHE_464:HBR      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HE*      1:PHE_464:HBS      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HN       1:ALA_509:HB*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HN       1:GLY_453:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HN       1:TYR_452:HBS      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HN       1:TYR_452:HBR      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HN       1:TYR_452:HD1      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:GLY_453:HA*      1:ALA_509:HB*      -1.000  6.200  5.000 25.00 25.00
1000.000  0.00
1:GLY_453:HA*      1:ASN_506:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:GLY_453:HA*      1:VAL_454:HGS*     -1.000  6.200  5.000 25.00 25.00
1000.000  0.00
1:GLY_453:HA*      1:VAL_454:HN       -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:GLY_453:HN       1:ALA_509:HB*      -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:GLY_453:HN       1:MET_505:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:GLY_453:HN       1:VAL_454:HGS*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:GLY_453:HN       1:VAL_454:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:VAL_454:HA       1:LEU_455:HN       -1.000  2.400  2.400 25.00 25.00
1000.000  0.00
1:VAL_454:HB       1:LEU_455:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:VAL_454:HB       1:MET_505:HG*      -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:VAL_454:HGR*     1:ALA_503:HB*      -1.000  5.600  5.000 25.00 25.00
1000.000  0.00
1:VAL_454:HGR*     1:GLY_504:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_454:HGR*     1:LEU_455:HN       -1.000  3.000  2.700 25.00 25.00
1000.000  0.00
1:VAL_454:HGR*     1:MET_505:HA       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_454:HGR*     1:MET_505:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_454:HGS*     1:ALA_503:HB*      -1.000  3.300  2.700 25.00 25.00
1000.000  0.00
1:VAL_454:HGS*     1:ALA_503:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_454:HGS*     1:ASN_506:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_454:HGS*     1:GLY_504:HA*      -1.000  4.500  3.300 25.00 25.00
1000.000  0.00
1:VAL_454:HGS*     1:GLY_504:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_454:HGS*     1:LEU_455:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_454:HGS*     1:MET_505:HA       -1.000  3.000  2.700 25.00 25.00
1000.000  0.00
1:VAL_454:HGS*     1:MET_505:HB*      -1.000  4.500  3.300 25.00 25.00
1000.000  0.00
1:VAL_454:HGS*     1:MET_505:HG*      -1.000  6.200  5.000 25.00 25.00
1000.000  0.00
1:VAL_454:HGS*     1:MET_505:HN       -1.000  3.000  2.700 25.00 25.00
1000.000  0.00
1:VAL_454:HN       1:LEU_455:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:VAL_454:HN       1:VAL_454:HB       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:VAL_454:HN       1:VAL_454:HGR*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_454:HN       1:VAL_454:HGS*     -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:LEU_455:HA       1:THR_456:HN       -1.000  2.400  2.400 25.00 25.00
1000.000  0.00
1:LEU_455:HB*      1:THR_456:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:LEU_455:HD*      1:THR_456:HN       -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:LEU_455:HN       1:LEU_455:HD*      -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:THR_456:HA       1:CYS_457:HBR      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:THR_456:HA       1:CYS_457:HN       -1.000  2.400  2.400 25.00 25.00
1000.000  0.00
1:THR_456:HA       1:CYS_460:HB*       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:THR_456:HA       1:LEU_455:HA       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:THR_456:HB       1:CYS_457:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:THR_456:HB       1:CYS_460:HB*      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:THR_456:HG2*     1:CYS_457:HN       -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:THR_456:HG2*     1:CYS_460:HB*      -1.000  3.900  2.700 25.00 25.00
1000.000  0.00
1:THR_456:HG2*     1:CYSH_500:HB*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:THR_456:HG2*     1:LYS+_461:HN      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:THR_456:HG2*     1:MET_505:HE*      -1.000  3.300  2.700 25.00 25.00
1000.000  0.00
1:THR_456:HN       1:CYS_457:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:THR_456:HN       1:THR_456:HG2*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:CYS_457:HA      1:CYS_457:HBR       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:CYS_457:HA      1:GLY_458:HN        -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_457:HA      1:SER_459:HN        -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_457:HBR     1:GLY_458:HN        -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:CYS_457:HBR     1:SER_459:HN        -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_457:HBS     1:GLY_458:HN        -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:CYS_457:HBS     1:SER_459:HN        -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:CYS_457:HN      1:CYS_457:HBR       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:CYS_457:HN      1:CYS_460:HA        -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_457:HN      1:CYS_460:HB*       -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:GLY_458:HA*      1:LYS+_461:HN      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:GLY_458:HA*      1:SER_459:HN       -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:GLY_458:HA*      1:VAL_462:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:GLY_458:HN       1:SER_459:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:SER_459:HA       1:CYS_460:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:SER_459:HA       1:PHE_463:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:SER_459:HA       1:VAL_462:HGR*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:SER_459:HA       1:VAL_462:HGS*     -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:SER_459:HA       1:VAL_462:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:SER_459:HB*      1:CYS_460:HN       -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:SER_459:HB*      1:VAL_462:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:SER_459:HN       1:CYS_460:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:SER_459:HN       1:SER_459:HB*      -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:CYS_460:HA      1:LYS+_461:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:CYS_460:HA      1:PHE_463:HBR      -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:CYS_460:HA      1:PHE_463:HBS      -1.000  2.700  2.700 25.00 25.00 1000.000  0.00
1:CYS_460:HA      1:PHE_463:HD*      -1.000  4.800  2.700 25.00 25.00 1000.000  0.00
1:CYS_460:HA      1:PHE_463:HE*      -1.000  5.400  3.300 25.00 25.00 1000.000  0.00
1:CYS_460:HA      1:PHE_463:HN       -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_460:HA      1:PHE_464:HN       -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_460:HA      1:VAL_462:HN       -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_460:HA      1:ARG+_496:HE       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYS_460:HB*     1:LYS+_461:HN      -1.000  4.200  3.300 25.00 25.00 1000.000  0.00
1:CYS_460:HB*     1:ARG+_496:HE      -1.000  5.900  5.000 25.00 25.00 1000.000  0.00
1:CYS_460:HN      1:CYS_460:HB*     -1.000  3.600  2.700 25.00 25.00 1000.000  0.00
1:CYS_460:HN      1:LYS+_461:HA      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_460:HN      1:LYS+_461:HN      -1.000  2.700  2.700 25.00 25.00 1000.000  0.00
1:LYS+_461:HA      1:LYS+_465:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LYS+_461:HA      1:MET_505:HE*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:LYS+_461:HA      1:PHE_464:HBS      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:LYS+_461:HA      1:PHE_464:HD*      -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:LYS+_461:HA      1:PHE_464:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LYS+_461:HA      1:VAL_462:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:LYS+_461:HB*     1:VAL_462:HN       -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:LYS+_461:HG*     1:VAL_462:HN       -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:LYS+_461:HN      1:LYS+_461:HB*     -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:LYS+_461:HN      1:LYS+_461:HG*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:LYS+_461:HN      1:MET_505:HE*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:LYS+_461:HN      1:VAL_462:HGS*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:LYS+_461:HN      1:VAL_462:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:VAL_462:HA       1:ARG+_466:HD*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:VAL_462:HA       1:ARG+_466:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:VAL_462:HA       1:LYS+_465:HB*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:VAL_462:HA       1:LYS+_465:HN      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:VAL_462:HA       1:PHE_463:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:VAL_462:HB       1:PHE_463:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:VAL_462:HGR*     1:ARG+_466:HB*     -1.000  6.200  5.000 25.00 25.00
1000.000  0.00
1:VAL_462:HGR*     1:ARG+_466:HD*     -1.000  6.200  5.000 25.00 25.00
1000.000  0.00
1:VAL_462:HGR*     1:ARG+_466:HN      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_462:HGR*     1:PHE_463:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_462:HGS*     1:PHE_463:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_462:HN       1:PHE_463:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:VAL_462:HN       1:VAL_462:HA       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:VAL_462:HN       1:VAL_462:HB       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:VAL_462:HN       1:VAL_462:HGR*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_462:HN       1:VAL_462:HGS*     -1.000  3.000  2.700 25.00 25.00
1000.000  0.00
1:PHE_463:HA       1:ALA_467:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HA       1:ARG+_466:HB*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:PHE_463:HA       1:ARG+_466:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HA       1:PHE_464:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HBR      1:PHE_464:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:PHE_463:HBS      1:PHE_464:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:PHE_463:HBS      1:ARG+_496:HE      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HD*      1:ALA_467:HB*      -1.000  7.400  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HD*      1:ALA_467:HN       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HD*      1:ARG+_496:HD*     -1.000  8.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HD*      1:ARG+_496:HE      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HD*      1:PHE_463:HA       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HD*      1:PHE_463:HBR      -1.000  4.800  2.700 25.00 25.00
1000.000  0.00
1:PHE_463:HD*      1:PHE_463:HBS      -1.000  4.800  2.700 25.00 25.00
1000.000  0.00
1:PHE_463:HD*      1:PHE_464:HA       -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:PHE_463:HD*      1:PHE_464:HBR      -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:PHE_463:HD*      1:PHE_464:HBS      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HD*      1:PHE_464:HN       -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:PHE_463:HD*      1:PRO_493:HB*      -1.000  8.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HD*      1:TYR_474:HE*      -1.000  9.200  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HD*      1:TYR_497:HA       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HE*      1:ALA_467:HB*      -1.000  7.400  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HE*      1:ARG+_496:HA      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HE*      1:ARG+_496:HD*     -1.000  8.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HE*      1:ARG+_498:HN      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HE*      1:CYSH_500:HB*     -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HE*      1:PHE_463:HBR      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HE*      1:PHE_463:HBS      -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:PHE_463:HE*      1:PHE_464:HA       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HE*      1:PRO_493:HB*      -1.000  6.300  3.300 25.00 25.00
1000.000  0.00
1:PHE_463:HE*      1:TYR_474:HE*      -1.000  7.500  3.300 25.00 25.00
1000.000  0.00
1:PHE_463:HE*      1:TYR_497:HA       -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:PHE_463:HE*      1:TYR_497:HBR      -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:PHE_463:HE*      1:TYR_497:HBS      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HE*      1:TYR_497:HD*      -1.000  9.200  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HE*      1:TYR_497:HN       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HN       1:PHE_463:HA       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:PHE_463:HN       1:PHE_463:HBR      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:PHE_463:HN       1:PHE_463:HBS      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:PHE_463:HN       1:PHE_463:HD*      -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:PHE_463:HN       1:PHE_464:HBR      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HN       1:PHE_464:HBS      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HN       1:PHE_464:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:PHE_463:HZ       1:ALA_467:HB*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HZ       1:ARG+_496:HB*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HZ       1:PHE_463:HD*      -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:PHE_463:HZ       1:PRO_493:HB*      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HZ       1:TYR_474:HE*      -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:PHE_463:HZ       1:TYR_497:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HZ       1:TYR_497:HBR      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:PHE_463:HZ       1:TYR_497:HBS      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_463:HZ       1:TYR_497:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HA       1:ALA_467:HB*      -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HA       1:ALA_467:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HA       1:LYS+_465:HN      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HA       1:TYR_497:HD*      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HA       1:TYR_497:HE*      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HA       1:VAL_468:HGS*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HA       1:VAL_468:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HBR      1:LYS+_465:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HBR      1:MET_505:HE*      -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HBR      1:TYR_497:HD*      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HBR      1:TYR_497:HE*      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HBS      1:LYS+_465:HN      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HD*      1:ASN_506:HA       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HD*      1:ASN_506:HN       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HD*      1:CYSH_500:HB*     -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_452:HD1      1:GLU-_508:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HD*      1:LEU_501:HD*      -1.000  9.300  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HD*      1:LEU_507:HB*      -1.000  6.300  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HD*      1:LEU_507:HD*      -1.000  7.600  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HD*      1:LEU_507:HN       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HD*      1:MET_505:HE*      -1.000  5.100  2.700 25.00 25.00
1000.000  0.00
1:PHE_464:HD*      1:PHE_464:HA       -1.000  4.800  2.700 25.00 25.00
1000.000  0.00
1:PHE_464:HD*      1:PHE_464:HBR      -1.000  4.800  2.700 25.00 25.00
1000.000  0.00
1:PHE_464:HD*      1:PHE_464:HBS      -1.000  4.800  2.700 25.00 25.00
1000.000  0.00
1:PHE_464:HD*      1:TYR_497:HA       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HD*      1:TYR_497:HD*      -1.000  9.200  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HD*      1:VAL_468:HGS*     -1.000  7.400  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:ASN_506:HA       -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:ASN_506:HN       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:CYSH_500:HB*     -1.000  6.300  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:LEU_501:HA       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:LEU_501:HD*      -1.000  7.600  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:LEU_501:HN       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:LEU_507:HA       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:LEU_507:HB*      -1.000  6.300  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:LEU_507:HD*      -1.000  7.600  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:LEU_507:HN       -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:MET_505:HA       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:MET_505:HB*      -1.000  8.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:MET_505:HE*      -1.000  7.400  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:PHE_464:HA       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:PHE_464:HN       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:TYR_497:HD*      -1.000  7.500  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:TYR_497:HE*      -1.000  9.200  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:VAL_468:HGR*     -1.000  5.700  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HE*      1:VAL_468:HGS*     -1.000  5.700  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HN       1:LYS+_465:HB*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HN       1:LYS+_465:HN      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:PHE_464:HN       1:MET_505:HE*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HN       1:PHE_464:HA       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:PHE_464:HN       1:PHE_464:HBR      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:PHE_464:HN       1:PHE_464:HBS      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:PHE_464:HN       1:PHE_464:HD*      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HZ       1:ASN_506:HA       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:PHE_464:HZ       1:ASN_506:HD2*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:PHE_464:HZ       1:ASN_506:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HZ       1:LEU_501:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HZ       1:LEU_501:HD*      -1.000  4.900  2.700 25.00 25.00
1000.000  0.00
1:PHE_464:HZ       1:LEU_507:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HZ       1:LEU_507:HB*      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HZ       1:LEU_507:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HZ       1:MET_505:HB*      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HZ       1:TYR_497:HE*      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:PHE_464:HZ       1:VAL_468:HGS*     -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:LYS+_465:HA      1:ALA_467:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LYS+_465:HA      1:ARG+_466:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LYS+_465:HA      1:GLU-_469:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LYS+_465:HA      1:LEU_507:HD*      -1.000  4.900  2.700 25.00 25.00
1000.000  0.00
1:LYS+_465:HA      1:VAL_468:HB       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:LYS+_465:HA      1:VAL_468:HGR*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:LYS+_465:HA      1:VAL_468:HGS*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:LYS+_465:HA      1:VAL_468:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LYS+_465:HB*     1:ARG+_466:HN      -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:LYS+_465:HB*     1:LEU_507:HD*      -1.000  8.100  5.000 25.00 25.00
1000.000  0.00
1:LYS+_465:HG*     1:ARG+_466:HN      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:LYS+_465:HG*     1:LEU_507:HD*      -1.000  6.400  3.300 25.00 25.00
1000.000  0.00
1:LYS+_465:HN      1:ALA_467:HB*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:LYS+_465:HN      1:ARG+_466:HN      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:LYS+_465:HN      1:LYS+_465:HB*     -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:LYS+_465:HN      1:LYS+_465:HE*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:LYS+_465:HN      1:LYS+_465:HG*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:LYS+_465:HN      1:VAL_468:HGS*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ARG+_466:HA      1:ALA_467:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:ARG+_466:HA      1:GLU-_469:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ARG+_466:HA      1:GLY_470:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ARG+_466:HB*     1:ALA_467:HN       -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ARG+_466:HB*     1:HIS_472:HD2      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_466:HD*     1:ALA_467:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_466:HG*     1:ALA_467:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_466:HG*     1:HIS_472:HD2      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_466:HN      1:ALA_467:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ARG+_466:HN      1:ALA_467:HB*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ARG+_466:HN      1:ALA_467:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ARG+_466:HN      1:ARG+_466:HD*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ALA_467:HA       1:GLY_470:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ALA_467:HA       1:HIS_472:HD2      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ALA_467:HB*      1:HIS_472:HD2      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ALA_467:HB*      1:TYR_474:HD*      -1.000  5.700  3.300 25.00 25.00
1000.000  0.00
1:ALA_467:HB*      1:TYR_474:HE*      -1.000  5.100  2.700 25.00 25.00
1000.000  0.00
1:ALA_467:HB*      1:TYR_497:HD*      -1.000  5.700  3.300 25.00 25.00
1000.000  0.00
1:ALA_467:HB*      1:TYR_497:HE*      -1.000  5.700  3.300 25.00 25.00
1000.000  0.00
1:ALA_467:HB*      1:VAL_468:HA       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ALA_467:HB*      1:VAL_468:HN       -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:ALA_467:HN       1:ALA_467:HB*      -1.000  3.000  2.700 25.00 25.00
1000.000  0.00
1:ALA_467:HN       1:VAL_468:HGS*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ALA_467:HN       1:VAL_468:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:VAL_468:HA       1:GLU-_469:HN      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:VAL_468:HA       1:GLY_470:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:VAL_468:HB       1:GLU-_469:HN      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:VAL_468:HB       1:LEU_507:HD*      -1.000  5.500  3.300 25.00 25.00
1000.000  0.00
1:VAL_468:HB       1:TYR_497:HE*      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:VAL_468:HGR*     1:GLU-_469:HB*     -1.000  6.200  5.000 25.00 25.00
1000.000  0.00
1:VAL_468:HGR*     1:GLU-_469:HN      -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:VAL_468:HGR*     1:GLY_470:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_468:HGR*     1:LEU_507:HB*      -1.000  6.200  5.000 25.00 25.00
1000.000  0.00
1:VAL_468:HGR*     1:LEU_507:HD*      -1.000  5.800  3.300 25.00 25.00
1000.000  0.00
1:VAL_468:HGR*     1:LEU_507:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_468:HGR*     1:TYR_497:HE*      -1.000  5.700  3.300 25.00 25.00
1000.000  0.00
1:VAL_468:HGS*     1:GLU-_469:HN      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_468:HGS*     1:LEU_507:HB*      -1.000  6.200  5.000 25.00 25.00
1000.000  0.00
1:VAL_468:HGS*     1:LEU_507:HD*      -1.000  5.800  3.300 25.00 25.00
1000.000  0.00
1:VAL_468:HGS*     1:LEU_507:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:VAL_468:HGS*     1:TYR_497:HD*      -1.000  7.400  5.000 25.00 25.00
1000.000  0.00
1:VAL_468:HGS*     1:TYR_497:HE*      -1.000  5.700  3.300 25.00 25.00
1000.000  0.00
1:VAL_468:HN       1:GLU-_469:HG*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:VAL_468:HN       1:GLU-_469:HN      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:VAL_468:HN       1:TYR_497:HE*      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:VAL_468:HN       1:VAL_468:HB       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:VAL_468:HN       1:VAL_468:HGS*     -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:GLU-_469:HA      1:GLU-_469:HG*     -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:GLU-_469:HA      1:GLY_470:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:GLU-_469:HB*     1:GLY_470:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:GLU-_469:HB*     1:LEU_507:HD*      -1.000  8.100  5.000 25.00 25.00
1000.000  0.00
1:GLU-_469:HN      1:GLU-_469:HB*     -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:GLU-_469:HN      1:GLU-_469:HG*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:GLU-_469:HN      1:GLY_470:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:GLU-_469:HN      1:LEU_507:HD*      -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:GLY_470:HA*      1:GLN_471:HN       -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:GLY_470:HA*      1:HIS_472:HD2      -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:GLY_470:HN       1:GLN_471:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:GLN_471:HA       1:HIS_472:HD2      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:GLN_471:HB*      1:HIS_472:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:GLN_471:HE2*     1:GLN_471:HG*      -1.000  5.100  3.300 25.00 25.00
1000.000  0.00
1:GLN_471:HE2*     1:HIS_472:HB*      -1.000  6.800  5.000 25.00 25.00
1000.000  0.00
1:GLN_471:HN       1:GLN_471:HA       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:GLN_471:HN       1:GLN_471:HB*      -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:GLN_471:HN       1:GLN_471:HG*      -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:HIS_472:HB*      1:TYR_474:HE*      -1.000  6.300  3.300 25.00 25.00
1000.000  0.00
1:HIS_472:HD2      1:HIS_472:HA       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:HIS_472:HD2      1:TYR_474:HE*      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:HIS_472:HD2      1:TYR_497:HE*      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:HIS_472:HN       1:GLN_471:HA       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:HIS_472:HN       1:HIS_472:HB*      -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:HIS_472:HN       1:HIS_472:HD2      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASN_473:HB*      1:TYR_474:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ASN_473:HA       1:TYR_474:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:TYR_474:HB*      1:ALA_494:HN       -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:TYR_474:HB*      1:LEU_475:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:TYR_474:HB*      1:TYR_474:HE*      -1.000  8.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_474:HD*      1:ALA_494:HA       -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:TYR_474:HD*      1:ALA_494:HB*      -1.000  7.400  5.000 25.00 25.00
1000.000  0.00
1:TYR_474:HD*      1:ALA_494:HN       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_474:HD*      1:ALA_494:HA       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_474:HD*      1:TYR_497:HBR      -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:TYR_474:HD*      1:TYR_497:HBS      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_474:HD*      1:TYR_497:HD*      -1.000  7.500  3.300 25.00 25.00
1000.000  0.00
1:TYR_474:HD*      1:PRO_493:HB*      -1.000  8.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_474:HD*      1:PRO_493:HG*      -1.000  8.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_474:HE*      1:PRO_493:HB*      -1.000  8.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_474:HE*      1:PRO_493:HG*      -1.000  8.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_474:HE*      1:ALA_494:HA       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_474:HE*      1:ALA_494:HB*      -1.000  7.400  5.000 25.00 25.00
1000.000  0.00
1:TYR_474:HE*      1:TYR_497:HBR      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_474:HE*      1:TYR_497:HBS      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_474:HN       1:ALA_494:HB*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:TYR_474:HN       1:ALA_494:HA       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_474:HN       1:TYR_474:HB*      -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:TYR_474:HN       1:TYR_474:HD*      -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:LEU_475:HA       1:ALA_494:HB*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:LEU_475:HA       1:CYS_476:HN      -1.000  2.700  2.700 25.00 25.00 1000.000  0.00
1:LEU_475:HB*      1:ALA_494:HB*      -1.000  6.200  5.000 25.00 25.00
1000.000  0.00
1:LEU_475:HB*      1:CYS_476:HN      -1.000  4.200  3.300 25.00 25.00 1000.000  0.00
1:LEU_475:HB*      1:CYS_476:HB*     -1.000  6.800  5.000 25.00 25.00 1000.000  0.00
1:LEU_475:HD*      1:CYS_476:HN      -1.000  7.200  5.000 25.00 25.00 1000.000  0.00
1:LEU_475:HN       1:ALA_494:HB*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:LEU_475:HN       1:LEU_475:HB*      -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:LEU_475:HN       1:LEU_475:HD*      -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:CYS_476:HA      1:ALA_477:HB*      -1.000  5.300  5.000 25.00 25.00 1000.000  0.00
1:CYS_476:HA      1:ALA_477:HN       -1.000  2.400  2.400 25.00 25.00 1000.000  0.00
1:CYS_476:HA      1:GLY_478:HN       -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:CYS_476:HB*     1:ALA_477:HN       -1.000  4.200  3.300 25.00 25.00 1000.000  0.00
1:CYS_476:HB*     1:ALA_494:HB*      -1.000  3.900  2.700 25.00 25.00 1000.000  0.00
1:CYS_476:HB*     1:ASN_480:HA       -1.000  4.200  3.300 25.00 25.00 1000.000  0.00
1:CYS_476:HB*     1:ASN_480:HN       -1.000  4.200  3.300 25.00 25.00 1000.000  0.00
1:CYS_476:HB*     1:CYS_495:HN      -1.000  3.600  2.700 25.00 25.00 1000.000  0.00
1:CYS_476:HB*     1:GLY_478:HN       -1.000  5.900  5.000 25.00 25.00 1000.000  0.00
1:CYS_476:HN      1:GLY_478:HN       -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_476:HN      1:ALA_494:HB*      -1.000  3.600  3.300 25.00 25.00 1000.000  0.00
1:CYS_476:HN      1:CYS_476:HA      -1.000  2.700  2.700 25.00 25.00 1000.000  0.00
1:CYS_476:HN      1:CYS_476:HB*     -1.000  3.600  2.700 25.00 25.00 1000.000  0.00
1:ALA_477:HA       1:GLY_478:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:ALA_477:HB*      1:GLY_478:HA*      -1.000  6.200  5.000 25.00 25.00
1000.000  0.00
1:ALA_477:HB*      1:GLY_478:HN       -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:ALA_477:HN       1:ALA_477:HA       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ALA_477:HN       1:ALA_477:HB*      -1.000  3.000  2.700 25.00 25.00
1000.000  0.00
1:ALA_477:HN       1:ALA_494:HB*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ALA_477:HN       1:GLY_478:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:GLY_478:HA*      1:ARG+_479:HN      -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:GLY_478:HA*      1:ASN_480:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:GLY_478:HA*      1:GLY_478:HN       -1.000  3.500  2.700 25.00 25.00
1000.000  0.00
1:GLY_478:HN       1:ARG+_479:HN      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:GLY_478:HN       1:ASN_480:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ARG+_479:HA      1:ASN_480:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:ARG+_479:HB*     1:ASN_480:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_479:HB*     1:ASP-_481:HBR     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ARG+_479:HB*     1:ASP-_481:HBS     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_479:HB*     1:ASP-_481:HN      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_479:HD*     1:ASN_480:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_479:HG*     1:ASN_480:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_479:HG*     1:ASP-_481:HN      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_479:HN      1:ARG+_479:HB*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ARG+_479:HN      1:ARG+_479:HG*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ARG+_479:HN      1:ASN_480:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ARG+_479:HN      1:ASP-_481:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASN_480:HA       1:ASP-_481:HN      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ASN_480:HA       1:CYS_482:HN      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:ASN_480:HBR      1:ASP-_481:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASN_480:HBS      1:ARG+_498:HD*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ASN_480:HBS      1:ASP-_481:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASN_480:HD2*     1:ASN_480:HBR      -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:ASN_480:HD2*     1:ASN_480:HBS      -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ASN_480:HN       1:ASN_480:HA       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ASN_480:HN       1:ASN_480:HBR      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASN_480:HN       1:ASN_480:HBS      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASN_480:HN       1:ASP-_481:HN      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:ASN_480:HN       1:CYS_482:HN      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:ASP-_481:HBR     1:CYS_482:HA      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:ASP-_481:HBR     1:CYS_482:HN      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:ASP-_481:HBS     1:CYS_482:HA      -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:ASP-_481:HN      1:ASP-_481:HBR     -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:ASP-_481:HN      1:ASP-_481:HBS     -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASP-_481:HN      1:CYS_482:HA      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:ASP-_481:HN      1:CYS_482:HN      -1.000  2.700  2.700 25.00 25.00 1000.000  0.00
1:CYS_482:HA      1:ILE_483:HG1*     -1.000  5.900  5.000 25.00 25.00 1000.000  0.00
1:CYS_482:HA      1:ILE_483:HN       -1.000  2.400  2.400 25.00 25.00 1000.000  0.00
1:CYS_482:HBR     1:ASN_491:HB*      -1.000  4.200  3.300 25.00 25.00 1000.000  0.00
1:CYS_482:HBR     1:ILE_483:HN       -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_482:HBR     1:ILE_484:HD1*     -1.000  5.300  5.000 25.00 25.00 1000.000  0.00
1:CYS_482:HBS     1:ILE_483:HN       -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:CYS_482:HN      1:CYS_482:HA      -1.000  2.700  2.700 25.00 25.00 1000.000  0.00
1:CYS_482:HN      1:CYS_482:HBR     -1.000  2.700  2.700 25.00 25.00 1000.000  0.00
1:CYS_482:HN      1:ILE_483:HN       -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:ILE_483:HA       1:ILE_484:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ILE_483:HB       1:ILE_484:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ILE_483:HD1*     1:ILE_484:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_483:HG1*     1:ILE_484:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ILE_483:HG2*     1:ASP-_485:HA      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_483:HG2*     1:ASP-_485:HBS     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_483:HG2*     1:ASP-_485:HN      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_483:HG2*     1:ILE_484:HN       -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:ILE_483:HN       1:ILE_483:HB       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ILE_483:HN       1:ILE_483:HD1*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_483:HN       1:ILE_483:HG1*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ILE_483:HN       1:ILE_483:HG2*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_483:HN       1:ILE_484:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HA       1:ASP-_485:HA      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HA       1:ASP-_485:HN      -1.000  2.400  2.400 25.00 25.00
1000.000  0.00
1:ILE_484:HA       1:ILE_484:HG1*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ILE_484:HB       1:ASP-_485:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HB       1:LYS+_499:HD*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ILE_484:HD1*     1:ARG+_489:HA      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HD1*     1:ARG+_496:HA      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HD1*     1:ARG+_496:HG*     -1.000  4.500  3.300 25.00 25.00
1000.000  0.00
1:ILE_484:HD1*     1:ARG+_496:HN      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HD1*     1:ASP-_485:HN      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HD1*     1:CYS_492:HBS     -1.000  5.300  5.000 25.00 25.00 1000.000  0.00
1:ILE_484:HD1*     1:CYS_492:HN      -1.000  5.300  5.000 25.00 25.00 1000.000  0.00
1:ILE_484:HD1*     1:CYS_495:HBR     -1.000  5.300  5.000 25.00 25.00 1000.000  0.00
1:ILE_484:HD1*     1:ARG+_489:HN      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HD1*     1:CYS_495:HN      -1.000  5.300  5.000 25.00 25.00 1000.000  0.00
1:ILE_484:HG2*     1:ARG+_489:HA      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HG2*     1:ARG+_496:HA      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HG2*     1:ARG+_496:HD*     -1.000  4.500  3.300 25.00 25.00
1000.000  0.00
1:ILE_484:HG2*     1:ARG+_496:HE      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HG2*     1:ARG+_496:HG*     -1.000  4.500  3.300 25.00 25.00
1000.000  0.00
1:ILE_484:HG2*     1:ARG+_496:HN      -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:ILE_484:HG2*     1:ASP-_485:HA      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HG2*     1:ASP-_485:HN      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HG2*     1:LYS+_499:HD*     -1.000  6.200  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HG2*     1:LYS+_499:HN      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HN       1:ASP-_485:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HN       1:ILE_484:HB       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:ILE_484:HN       1:ILE_484:HG2*     -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_484:HN       1:LYS+_499:HD*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ASP-_485:HA      1:ILE_487:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASP-_485:HA      1:LYS+_486:HN      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ASP-_485:HBR     1:ILE_487:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASP-_485:HBR     1:LYS+_486:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASP-_485:HBS     1:ARG+_488:HB*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ASP-_485:HBS     1:ILE_487:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASP-_485:HBS     1:LYS+_486:HN      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ASP-_485:HN      1:ARG+_488:HB*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ASP-_485:HN      1:ARG+_488:HG*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ASP-_485:HN      1:ARG+_488:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASP-_485:HN      1:ARG+_489:HA      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASP-_485:HN      1:ARG+_489:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LYS+_486:HA      1:ARG+_489:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LYS+_486:HA      1:ILE_487:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:LYS+_486:HB*     1:ILE_487:HN       -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:LYS+_486:HG*     1:ILE_487:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:LYS+_486:HN      1:ILE_487:HG1*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:LYS+_486:HN      1:ILE_487:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:LYS+_486:HN      1:LYS+_486:HA      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:LYS+_486:HN      1:LYS+_486:HB*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:LYS+_486:HN      1:LYS+_486:HG*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ILE_487:HA       1:ARG+_488:HN      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:ILE_487:HA       1:ARG+_489:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ILE_487:HB       1:ARG+_488:HN      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:ILE_487:HG1*     1:ARG+_488:HN      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ILE_487:HG2*     1:ARG+_488:HN      -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:ILE_487:HG2*     1:ARG+_489:HN      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ILE_487:HN       1:ARG+_488:HA      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ILE_487:HN       1:ARG+_488:HB*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ILE_487:HN       1:ARG+_488:HN      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ILE_487:HN       1:ARG+_489:HN      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:ILE_487:HN       1:ILE_487:HB       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ARG+_488:HA      1:ARG+_489:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ARG+_488:HA      1:ASN_491:HB*      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_488:HA      1:ASN_491:HD2*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ARG+_488:HA      1:ASN_491:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ARG+_488:HA      1:LYS+_490:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ARG+_488:HB*     1:ARG+_489:HN      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_488:HB*     1:ASN_491:HB*      -1.000  6.800  5.000 25.00 25.00
1000.000  0.00
1:ARG+_488:HB*     1:ASN_491:HD2*     -1.000  5.100  3.300 25.00 25.00
1000.000  0.00
1:ARG+_488:HD*     1:ASN_491:HD2*     -1.000  6.800  5.000 25.00 25.00
1000.000  0.00
1:ARG+_488:HG*     1:ARG+_489:HN      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_488:HG*     1:ASN_491:HD2*     -1.000  6.800  5.000 25.00 25.00
1000.000  0.00
1:ARG+_488:HN      1:ARG+_488:HB*     -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:ARG+_488:HN      1:ARG+_488:HD*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_488:HN      1:ARG+_488:HG*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ARG+_488:HN      1:ARG+_489:HA      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ARG+_488:HN      1:ARG+_489:HN      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ARG+_489:HA      1:CYS_492:HN      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:ARG+_489:HG*     1:ARG+_496:HE      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_489:HN      1:LYS+_490:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LYS+_490:HA      1:ASN_491:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:LYS+_490:HB*     1:ASN_491:HN       -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:LYS+_490:HN      1:ASN_491:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:LYS+_490:HN      1:LYS+_490:HA      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:LYS+_490:HN      1:LYS+_490:HB*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:LYS+_490:HN      1:LYS+_490:HG*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ASN_491:HA       1:CYS_492:HN      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:ASN_491:HB*      1:CYS_492:HN      -1.000  4.200  3.300 25.00 25.00 1000.000  0.00
1:ASN_491:HD2*     1:ASN_491:HA       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ASN_491:HN       1:ASN_491:HA       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ASN_491:HN       1:ASN_491:HB*      -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:ASN_491:HN       1:CYS_492:HA      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:ASN_491:HN       1:CYS_492:HN      -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:ASN_491:HN       1:PRO_493:HD*      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:CYS_492:HA      1:PRO_493:HG*      -1.000  5.900  5.000 25.00 25.00 1000.000  0.00
1:CYS_492:HBR     1:CYS_495:HN      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_492:HBS     1:ALA_494:HB*      -1.000  5.300  5.000 25.00 25.00 1000.000  0.00
1:CYS_492:HBS     1:CYS_495:HN      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:PRO_493:HA       1:ARG+_496:HE      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PRO_493:HA       1:ARG+_496:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PRO_493:HA       1:TYR_497:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:PRO_493:HB*      1:ALA_494:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:PRO_493:HD*      1:ALA_494:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ALA_494:HA       1:ARG+_498:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ALA_494:HA       1:CYS_495:HN      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:ALA_494:HA       1:TYR_497:HBS      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ALA_494:HA       1:TYR_497:HD*      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:ALA_494:HA       1:TYR_497:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ALA_494:HB*      1:ARG+_496:HN      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ALA_494:HB*      1:CYS_495:HN      -1.000  3.000  2.700 25.00 25.00 1000.000  0.00
1:ALA_494:HB*      1:TYR_497:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ALA_494:HN       1:ALA_494:HA       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ALA_494:HN       1:ALA_494:HB*      -1.000  3.000  2.700 25.00 25.00
1000.000  0.00
1:ALA_494:HN       1:CYS_495:HN      -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:CYS_495:HA      1:ARG+_496:HN      -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:CYS_495:HA      1:ARG+_498:HB*     -1.000  5.900  5.000 25.00 25.00 1000.000  0.00
1:CYS_495:HA      1:ARG+_498:HN      -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:CYS_495:HA      1:LYS+_499:HN      -1.000  5.000  5.000 25.00 25.00 1000.000  0.00
1:CYS_495:HBS     1:ARG+_496:HN      -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:CYS_495:HBR     1:ARG+_496:HN      -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:CYS_495:HN      1:ARG+_496:HB*     -1.000  5.900  5.000 25.00 25.00 1000.000  0.00
1:CYS_495:HN      1:ARG+_496:HN      -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:CYS_495:HN      1:CYS_495:HA      -1.000  2.700  2.700 25.00 25.00 1000.000  0.00
1:CYS_495:HN      1:CYS_495:HBS     -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:CYS_495:HN      1:CYS_495:HBR     -1.000  3.300  3.300 25.00 25.00 1000.000  0.00
1:ARG+_496:HA      1:ARG+_498:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ARG+_496:HA      1:CYSH_500:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ARG+_496:HA      1:LYS+_499:HB*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ARG+_496:HA      1:LYS+_499:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ARG+_496:HA      1:TYR_497:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ARG+_496:HB*     1:TYR_497:HN       -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ARG+_496:HG*     1:LYS+_499:HN      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_496:HN      1:ARG+_496:HB*     -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:ARG+_496:HN      1:ARG+_496:HD*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_496:HN      1:TYR_497:HBR      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ARG+_496:HN      1:TYR_497:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:TYR_497:HBR      1:ARG+_498:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_497:HBS      1:ARG+_498:HN      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:TYR_497:HD*      1:ARG+_498:HA      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_497:HD*      1:ARG+_498:HB*     -1.000  8.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_497:HD*      1:ARG+_498:HN      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_497:HD*      1:CYSH_500:HB*     -1.000  8.000  5.000 25.00 25.00
1000.000  0.00
1:TYR_497:HD*      1:LEU_501:HD*      -1.000  7.600  3.300 25.00 25.00
1000.000  0.00
1:TYR_497:HD*      1:LEU_501:HG       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_497:HD*      1:TYR_497:HA       -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:TYR_497:HD*      1:TYR_497:HBR      -1.000  5.400  3.300 25.00 25.00
1000.000  0.00
1:TYR_497:HD*      1:TYR_497:HBS      -1.000  4.800  2.700 25.00 25.00
1000.000  0.00
1:TYR_497:HE*      1:ARG+_498:HA      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_497:HE*      1:LEU_501:HD*      -1.000  7.000  2.700 25.00 25.00
1000.000  0.00
1:TYR_497:HE*      1:LEU_501:HG       -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:TYR_497:HN       1:ARG+_498:HN      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:TYR_497:HN       1:TYR_497:HD*      -1.000  7.100  5.000 25.00 25.00
1000.000  0.00
1:ARG+_498:HA      1:GLN_502:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ARG+_498:HA      1:LEU_501:HB*      -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:ARG+_498:HA      1:LEU_501:HD*      -1.000  5.500  3.300 25.00 25.00
1000.000  0.00
1:ARG+_498:HA      1:LEU_501:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ARG+_498:HA      1:LYS+_499:HN      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:ARG+_498:HB*     1:GLN_502:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_498:HB*     1:LEU_501:HB*      -1.000  6.800  5.000 25.00 25.00
1000.000  0.00
1:ARG+_498:HB*     1:LYS+_499:HN      -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ARG+_498:HN      1:ARG+_498:HA      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:ARG+_498:HN      1:ARG+_498:HB*     -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:ARG+_498:HN      1:ARG+_498:HD*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ARG+_498:HN      1:ARG+_498:HG*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ARG+_498:HN      1:LEU_501:HD*      -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:ARG+_498:HN      1:LYS+_499:HN      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:LYS+_499:HA      1:ALA_503:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LYS+_499:HA      1:CYSH_500:HN      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:LYS+_499:HA      1:GLN_502:HB*      -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:LYS+_499:HA      1:GLN_502:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:LYS+_499:HA      1:LEU_501:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LYS+_499:HB*     1:CYSH_500:HN      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:LYS+_499:HD*     1:CYSH_500:HN      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:LYS+_499:HG*     1:ALA_503:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:LYS+_499:HN      1:CYSH_500:HB*     -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:LYS+_499:HN      1:CYSH_500:HN      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:LYS+_499:HN      1:LYS+_499:HB*     -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:LYS+_499:HN      1:LYS+_499:HG*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:CYSH_500:HA      1:ALA_503:HB*      -1.000  3.000  2.700 25.00 25.00
1000.000  0.00
1:CYSH_500:HA      1:ALA_503:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYSH_500:HA      1:LEU_501:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYSH_500:HA      1:MET_505:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYSH_500:HB*     1:LEU_501:HD*      -1.000  8.100  5.000 25.00 25.00
1000.000  0.00
1:CYSH_500:HB*     1:LEU_501:HN       -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:CYSH_500:HB*     1:MET_505:HE*      -1.000  4.500  3.300 25.00 25.00
1000.000  0.00
1:CYSH_500:HN      1:CYSH_500:HA      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:CYSH_500:HN      1:CYSH_500:HB*     -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:CYSH_500:HN      1:LEU_501:HB*      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:CYSH_500:HN      1:LEU_501:HD*      -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:CYSH_500:HN      1:LEU_501:HG       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:CYSH_500:HN      1:LEU_501:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:LEU_501:HA       1:ALA_503:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LEU_501:HA       1:GLN_502:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LEU_501:HA       1:GLY_504:HA*      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:LEU_501:HA       1:GLY_504:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:LEU_501:HA       1:MET_505:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:LEU_501:HB*      1:GLN_502:HN       -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:LEU_501:HD*      1:GLN_502:HN       -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:LEU_501:HD*      1:GLY_504:HN       -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:LEU_501:HD*      1:MET_505:HB*      -1.000  8.100  5.000 25.00 25.00
1000.000  0.00
1:LEU_501:HG       1:GLN_502:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LEU_501:HN       1:GLN_502:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:LEU_501:HN       1:LEU_501:HA       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:LEU_501:HN       1:LEU_501:HB*      -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:LEU_501:HN       1:LEU_501:HD*      -1.000  5.500  3.300 25.00 25.00
1000.000  0.00
1:GLN_502:HA       1:ALA_503:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:GLN_502:HA       1:GLN_502:HG*      -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:GLN_502:HA       1:GLY_504:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:GLN_502:HB*      1:ALA_503:HB*      -1.000  6.200  5.000 25.00 25.00
1000.000  0.00
1:GLN_502:HB*      1:ALA_503:HN       -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:GLN_502:HE2*     1:GLN_502:HG*      -1.000  6.800  5.000 25.00 25.00
1000.000  0.00
1:GLN_502:HG*      1:ALA_503:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:GLN_502:HN       1:ALA_503:HB*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:GLN_502:HN       1:ALA_503:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:GLN_502:HN       1:GLN_502:HA       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:GLN_502:HN       1:GLN_502:HB*      -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:GLN_502:HN       1:GLN_502:HG*      -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:GLN_502:HN       1:GLY_504:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ALA_503:HA       1:GLY_504:HN       -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:ALA_503:HA       1:MET_505:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ALA_503:HB*      1:GLY_504:HN       -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:ALA_503:HB*      1:MET_505:HG*      -1.000  6.200  5.000 25.00 25.00
1000.000  0.00
1:ALA_503:HB*      1:MET_505:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ALA_503:HN       1:GLY_504:HA*      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ALA_503:HN       1:GLY_504:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ALA_503:HN       1:MET_505:HG*      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ALA_503:HN       1:MET_505:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:GLY_504:HA*      1:MET_505:HN       -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:GLY_504:HN       1:MET_505:HG*      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:GLY_504:HN       1:MET_505:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:MET_505:HA       1:ASN_506:HN       -1.000  2.400  2.400 25.00 25.00
1000.000  0.00
1:MET_505:HB*      1:ASN_506:HD2*     -1.000  6.800  5.000 25.00 25.00
1000.000  0.00
1:MET_505:HB*      1:ASN_506:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:MET_505:HE*      1:ASN_506:HN       -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:MET_505:HG*      1:ASN_506:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:MET_505:HN       1:ASN_506:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:MET_505:HN       1:MET_505:HG*      -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ASN_506:HA       1:GLU-_508:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASN_506:HA       1:LEU_507:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:ASN_506:HBR      1:LEU_507:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASN_506:HBS      1:ALA_509:HB*      -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
1:ASN_506:HBS      1:LEU_507:HN       -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ASN_506:HD2*     1:ALA_509:HA       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ASN_506:HD2*     1:ALA_509:HB*      -1.000  6.200  5.000 25.00 25.00
1000.000  0.00
1:ASN_506:HD2*     1:ASN_506:HA       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ASN_506:HD2*     1:ASN_506:HBR      -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ASN_506:HD2*     1:ASN_506:HBS      -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ASN_506:HD2*     1:ASN_506:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ASN_506:HD2*     1:GLU-_508:HN      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:ASN_506:HN       1:ALA_509:HB*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:ASN_506:HN       1:ASN_506:HBR      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:ASN_506:HN       1:ASN_506:HBS      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:LEU_507:HA       1:GLU-_508:HN      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:LEU_507:HA       1:LEU_507:HD*      -1.000  4.900  2.700 25.00 25.00
1000.000  0.00
1:LEU_507:HB*      1:GLU-_508:HN      -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:LEU_507:HD*      1:GLU-_508:HN      -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:LEU_507:HN       1:ALA_509:HB*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:LEU_507:HN       1:GLU-_508:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:LEU_507:HN       1:LEU_507:HB*      -1.000  3.600  2.700 25.00 25.00
1000.000  0.00
1:LEU_507:HN       1:LEU_507:HD*      -1.000  7.200  5.000 25.00 25.00
1000.000  0.00
1:GLU-_508:HA      1:ALA_509:HB*      -1.000  5.300  5.000 25.00 25.00
1000.000  0.00
1:GLU-_508:HA      1:ALA_509:HN       -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:GLU-_508:HB*     1:ALA_509:HN       -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:GLU-_508:HG*     1:ALA_509:HN       -1.000  5.900  5.000 25.00 25.00
1000.000  0.00
1:GLU-_508:HN      1:GLU-_508:HA      -1.000  2.700  2.700 25.00 25.00
1000.000  0.00
1:GLU-_508:HN      1:GLU-_508:HB*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:GLU-_508:HN      1:GLU-_508:HG*     -1.000  4.200  3.300 25.00 25.00
1000.000  0.00
1:ALA_509:HN       1:ALA_509:HB*      -1.000  3.000  2.700 25.00 25.00
1000.000  0.00
1:ALA_509:HN       1:AR+C_510:HN      -1.000  5.000  5.000 25.00 25.00
1000.000  0.00
1:ALA_509:HA       1:AR+C_510:HN      -1.000  3.300  3.300 25.00 25.00
1000.000  0.00
1:ALA_509:HB*      1:AR+C_510:HN      -1.000  3.600  3.300 25.00 25.00
1000.000  0.00
!
#NMR_dihedral
1:CYS_440:HN      1:CYS_440:N       1:CYS_440:CA      1:CYS_440:C      
90.000 140.000 30.00 30.00 1000.000
1:VAL_442:HN       1:VAL_442:N        1:VAL_442:CA       1:VAL_442:C   
    20.000 100.000 30.00 30.00 1000.000
1:CYS_443:HN       1:CYS_443:N        1:CYS_443:CA       1:CYS_443:C   
    20.000 100.000 30.00 30.00 1000.000
1:GLU-_446:HN      1:GLU-_446:N       1:GLU-_446:CA      1:GLU-_446:C  
    90.000 140.000 30.00 30.00 1000.000
1:VAL_454:HN       1:VAL_454:N        1:VAL_454:CA       1:VAL_454:C   
    20.000 100.000 30.00 30.00 1000.000
1:LEU_455:HN       1:LEU_455:N        1:LEU_455:CA       1:LEU_455:C   
    90.000 140.000 30.00 30.00 1000.000
1:SER_459:HN       1:SER_459:N        1:SER_459:CA       1:SER_459:C   
    90.000 140.000 30.00 30.00 1000.000
1:CYS_460:HN       1:CYS_460:N        1:CYS_460:CA       1:CYS_460:C   
    90.000 140.000 30.00 30.00 1000.000
1:LYS+_461:HN      1:LYS+_461:N       1:LYS+_461:CA      1:LYS+_461:C  
    90.000 140.000 30.00 30.00 1000.000
1:VAL_462:HN       1:VAL_462:N        1:VAL_462:CA       1:VAL_462:C   
    90.000 140.000 30.00 30.00 1000.000
1:PHE_463:HN       1:PHE_463:N        1:PHE_463:CA       1:PHE_463:C   
    90.000 140.000 30.00 30.00 1000.000
1:PHE_464:HN       1:PHE_464:N        1:PHE_464:CA       1:PHE_464:C   
    90.000 140.000 30.00 30.00 1000.000
1:LYS+_465:HN      1:LYS+_465:N       1:LYS+_465:CA      1:LYS+_465:C  
    90.000 140.000 30.00 30.00 1000.000
1:ALA_467:HN       1:ALA_467:N        1:ALA_467:CA       1:ALA_467:C   
    90.000 140.000 30.00 30.00 1000.000
1:ARG+_479:HN      1:ARG+_479:N       1:ARG+_479:CA      1:ARG+_479:C  
    20.000 100.000 30.00 30.00 1000.000
1:ASP-_481:HN      1:ASP-_481:N       1:ASP-_481:CA      1:ASP-_481:C  
    20.000 100.000 30.00 30.00 1000.000
1:CYS_482:HN       1:CYS_482:N        1:CYS_482:CA       1:CYS_482:C   
    90.000 140.000 30.00 30.00 1000.000
1:LYS+_486:HN      1:LYS+_486:N       1:LYS+_486:CA      1:LYS+_486:C  
    90.000 140.000 30.00 30.00 1000.000
1:ARG+_489:HN      1:ARG+_489:N       1:ARG+_489:CA      1:ARG+_489:C  
    90.000 140.000 30.00 30.00 1000.000
1:CYS_495:HN       1:CYS_495:N        1:CYS_495:CA       1:CYS_495:C   
    90.000 140.000 30.00 30.00 1000.000
1:ARG+_496:HN      1:ARG+_496:N       1:ARG+_496:CA      1:ARG+_496:C  
    90.000 140.000 30.00 30.00 1000.000
1:ARG+_498:HN      1:ARG+_498:N       1:ARG+_498:CA      1:ARG+_498:C  
    90.000 140.000 30.00 30.00 1000.000
1:LYS+_499:HN      1:LYS+_499:N       1:LYS+_499:CA      1:LYS+_499:C  
    90.000 140.000 30.00 30.00 1000.000
1:CYSH_500:HN      1:CYSH_500:N       1:CYSH_500:CA      1:CYSH_500:C  
     90.000 140.000 30.00 30.00 1000.000
1:LEU_501:HN       1:LEU_501:N        1:LEU_501:CA       1:LEU_501:C   
    90.000 140.000 30.00 30.00 1000.000
1:GLN_502:HN       1:GLN_502:N        1:GLN_502:CA       1:GLN_502:C   
    90.000 140.000 30.00 30.00 1000.000
1:ALA_503:HN       1:ALA_503:N        1:ALA_503:CA       1:ALA_503:C   
    90.000 140.000 30.00 30.00 1000.000
1:MET_505:HN       1:MET_505:N        1:MET_505:CA       1:MET_505:C   
    90.000 140.000 30.00 30.00 1000.000
1:CYS_440:N       1:CYS_440:CA      1:CYS_440:CB      1:CYS_440:SG     
135.000 -135.000 30.00 30.00 1000.000
1:CYS_443:N        1:CYS_443:CA       1:CYS_443:CB       1:CYS_443:SG  
    15.00 105.000 30.00 30.00 1000.000
1:SER_444:N        1:SER_444:CA       1:SER_444:CB       1:SER_444:OG  
    -105.000 105.000 30.00 30.00 1000.000
1:ASP-_445:N       1:ASP-_445:CA      1:ASP-_445:CB      1:ASP-_445:CG 
    135.000 -135.000 30.00 30.00 1000.000
1:GLU-_446:N       1:GLU-_446:CA      1:GLU-_446:CB      1:GLU-_446:CG 
    -105.000 105.000 30.00 30.00 1000.000
1:CYS_457:N        1:CYS_457:CA       1:CYS_457:CB       1:CYS_457:SG  
    15.000 105.000 30.00 30.00 1000.000
1:PHE_463:N        1:PHE_463:CA       1:PHE_463:CB       1:PHE_463:CG  
    135.000 -135.000 30.00 30.00 1000.000
1:PHE_464:N        1:PHE_464:CA       1:PHE_464:CB       1:PHE_464:CG  
    135.000 -135.000 30.00 30.00 1000.000
1:LYS+_465:N       1:LYS+_465:CA      1:LYS+_465:CB      1:LYS+_465:CG 
    135.000 -135.000 30.00 30.00 1000.000
1:TYR_474:N        1:TYR_474:CA       1:TYR_474:CB       1:TYR_474:CG  
    -105.000 105.000 30.00 30.00 1000.000
1:ASN_480:N        1:ASN_480:CA       1:ASN_480:CB       1:ASN_480:CG  
    135.000 -135.000 30.00 30.00 1000.000
1:ASP-_485:N       1:ASP-_485:CA      1:ASP-_485:CB      1:ASP-_485:CG 
     15.000 105.000 30.00 30.00 1000.000
1:CYS_495:N        1:CYS_495:CA       1:CYS_495:CB       1:CYS_495:SG  
   -105.000 -15.000 30.00 30.00 1000.000
1:TYR_497:N        1:TYR_497:CA       1:TYR_497:CB       1:TYR_497:CG  
    135.000 -135.000 30.00 30.00 1000.000
1:GLU-_508:N       1:GLU-_508:CA      1:GLU-_508:CB      1:GLU-_508:CG 
    -105.000 -15.000 30.00 30.00 1000.000


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LEU   1           HT1      LEU   1  12.309   6.661   4.510
    2   2H    LEU   1           HT2      LEU   1  11.909   5.022   4.302
    3   3H    LEU   1           HT3      LEU   1  12.222   6.000   2.949
    4    HA   LEU   1           HA       LEU   1  10.003   6.255   4.833
    5   1HB   LEU   1           HB1      LEU   1  10.608   7.817   2.238
    6   2HB   LEU   1           HB2      LEU   1   9.105   7.984   3.188
    7    HG   LEU   1           HG       LEU   1  11.936   8.727   4.124
    8   1HD1  LEU   1          HD11      LEU   1   9.558  10.526   3.333
    9   2HD1  LEU   1          HD12      LEU   1  11.152  11.078   3.968
   10   3HD1  LEU   1          HD13      LEU   1  11.058  10.249   2.373
   11   1HD2  LEU   1          HD21      LEU   1  10.837   9.788   6.103
   12   2HD2  LEU   1          HD22      LEU   1   9.250   9.103   5.600
   13   3HD2  LEU   1          HD23      LEU   1  10.607   8.010   6.076
   14    H    CYS   2           HN       CYS   2   7.950   5.543   4.078
   15    HA   CYS   2           HA       CYS   2   7.731   3.339   2.441
   16   1HB   CYS   2           HB1      CYS   2   6.286   3.733   4.400
   17   2HB   CYS   2           HB2      CYS   2   5.611   5.230   3.598
   18    H    LEU   3           HN       LEU   3   7.133   3.222   0.217
   19    HA   LEU   3           HA       LEU   3   7.302   5.821  -1.022
   20   1HB   LEU   3           HB1      LEU   3   7.801   2.995  -1.971
   21   2HB   LEU   3           HB2      LEU   3   7.882   4.370  -3.130
   22    HG   LEU   3           HG       LEU   3   9.595   4.153  -0.604
   23   1HD1  LEU   3          HD11      LEU   3  11.525   3.635  -2.143
   24   2HD1  LEU   3          HD12      LEU   3  10.266   2.357  -2.182
   25   3HD1  LEU   3          HD13      LEU   3  10.383   3.543  -3.534
   26   1HD2  LEU   3          HD21      LEU   3  10.972   5.981  -1.627
   27   2HD2  LEU   3          HD22      LEU   3   9.782   6.113  -2.975
   28   3HD2  LEU   3          HD23      LEU   3   9.291   6.505  -1.286
   29    H    VAL   4           HN       VAL   4   4.983   4.352   0.097
   30    HA   VAL   4           HA       VAL   4   3.155   4.355  -2.212
   31    HB   VAL   4           HB       VAL   4   2.783   2.772   0.375
   32   1HG1  VAL   4          HG21      VAL   4   1.292   2.495  -2.260
   33   2HG1  VAL   4          HG22      VAL   4   1.009   1.611  -0.702
   34   3HG1  VAL   4          HG23      VAL   4   0.706   3.379  -0.796
   35   1HG2  VAL   4          HG11      VAL   4   3.984   1.778  -2.237
   36   2HG2  VAL   4          HG12      VAL   4   4.784   1.952  -0.635
   37   3HG2  VAL   4          HG13      VAL   4   3.461   0.753  -0.828
   38    H    CYS   5           HN       CYS   5   3.092   4.602   1.336
   39    HA   CYS   5           HA       CYS   5   1.104   6.766   1.022
   40   1HB   CYS   5           HB1      CYS   5   0.011   6.259   3.022
   41   2HB   CYS   5           HB2      CYS   5   0.039   4.825   1.994
   42    H    SER   6           HN       SER   6   4.048   6.698   0.971
   43    HA   SER   6           HA       SER   6   5.769   7.918   1.740
   44   1HB   SER   6           HB1      SER   6   3.841  10.190   1.481
   45   2HB   SER   6           HB2      SER   6   5.560  10.116   0.921
   46    HG   SER   6           HG1      SER   6   4.717   8.484  -0.549
   47    H    ASP   7           HN       ASP   7   5.497   6.858   3.876
   48    HA   ASP   7           HA       ASP   7   5.260   8.845   6.076
   49   1HB   ASP   7           HB1      ASP   7   3.310   7.187   5.708
   50   2HB   ASP   7           HB2      ASP   7   4.443   5.844   5.898
   51    H    GLU   8           HN       GLU   8   6.473   7.542   8.086
   52    HA   GLU   8           HA       GLU   8   9.120   7.073   7.343
   53   1HB   GLU   8           HB1      GLU   8   8.915   5.989   9.938
   54   2HB   GLU   8           HB2      GLU   8   9.375   7.641   9.478
   55   1HG   GLU   8           HG1      GLU   8   7.012   8.442   9.708
   56   2HG   GLU   8           HG2      GLU   8   6.476   6.769  10.094
   57    H    ALA   9           HN       ALA   9  10.045   5.155   6.520
   58    HA   ALA   9           HA       ALA   9   8.356   2.814   6.536
   59   1HB   ALA   9           HB1      ALA   9  10.331   1.833   5.057
   60   2HB   ALA   9           HB2      ALA   9   9.095   2.905   4.368
   61   3HB   ALA   9           HB3      ALA   9  10.729   3.563   4.852
   62    H    SER  10           HN       SER  10   9.168   0.682   7.076
   63    HA   SER  10           HA       SER  10  11.226   0.721   9.154
   64   1HB   SER  10           HB1      SER  10   8.836   0.789  10.101
   65   2HB   SER  10           HB2      SER  10   8.560  -0.812   9.347
   66    HG   SER  10           HG1      SER  10  10.535  -0.084  11.268
   67    H    GLY  11           HN       GLY  11  11.802   0.186   6.522
   68   1HA   GLY  11           HA1      GLY  11  13.284  -1.360   5.784
   69   2HA   GLY  11           HA2      GLY  11  12.418  -2.687   6.639
   70    H    CYS  12           HN       CYS  12  13.252  -2.772   3.894
   71    HA   CYS  12           HA       CYS  12  10.852  -2.361   2.314
   72   1HB   CYS  12           HB1      CYS  12  12.310  -3.105   0.388
   73   2HB   CYS  12           HB2      CYS  12  12.837  -1.621   1.213
   74    HG1  CYS  12           HG1      CYS  12  14.931  -2.964   0.458
   75    H    HIS  13           HN       HIS  13   9.613  -4.028   1.395
   76    HA   HIS  13           HA       HIS  13  10.430  -6.737   1.615
   77   1HB   HIS  13           HB1      HIS  13   8.893  -5.697   3.873
   78   2HB   HIS  13           HB2      HIS  13   7.808  -6.747   2.933
   79    HD2  HIS  13           HD2      HIS  13   8.454  -9.496   2.818
   80    HE1  HIS  13           HE1      HIS  13  11.690  -9.222   5.522
   81    HE2  HIS  13           HE2      HIS  13  10.143 -10.799   4.236
   82    H    TYR  14           HN       TYR  14   9.478  -7.852   0.055
   83    HA   TYR  14           HA       TYR  14   8.285  -8.468  -1.584
   84   1HB   TYR  14           HB1      TYR  14   6.195  -6.305  -1.267
   85   2HB   TYR  14           HB2      TYR  14   5.952  -7.772  -2.119
   86    HD1  TYR  14           HD1      TYR  14   7.029 -10.020  -0.396
   87    HD2  TYR  14           HD2      TYR  14   5.059  -6.417   0.591
   88    HE1  TYR  14           HE1      TYR  14   6.408 -11.013   1.751
   89    HE2  TYR  14           HE2      TYR  14   4.344  -7.393   2.782
   90    HH   TYR  14           HH       TYR  14   4.458  -9.169   4.154
   91    H    GLY  15           HN       GLY  15  10.214  -6.564  -1.405
   92   1HA   GLY  15           HA1      GLY  15  11.794  -6.176  -3.035
   93   2HA   GLY  15           HA2      GLY  15  10.505  -5.956  -4.260
   94    H    VAL  16           HN       VAL  16   9.347  -3.951  -1.955
   95    HA   VAL  16           HA       VAL  16  11.029  -1.692  -2.861
   96    HB   VAL  16           HB       VAL  16   8.045  -1.536  -2.359
   97   1HG1  VAL  16          HG21      VAL  16   9.844   0.229  -4.098
   98   2HG1  VAL  16          HG22      VAL  16   8.052   0.326  -3.932
   99   3HG1  VAL  16          HG23      VAL  16   9.074   0.651  -2.506
  100   1HG2  VAL  16          HG11      VAL  16   9.267  -2.200  -5.109
  101   2HG2  VAL  16          HG12      VAL  16   8.195  -3.256  -4.115
  102   3HG2  VAL  16          HG13      VAL  16   7.556  -1.710  -4.794
  103    H    LEU  17           HN       LEU  17  11.116   0.015  -1.511
  104    HA   LEU  17           HA       LEU  17  11.060  -0.432   1.267
  105   1HB   LEU  17           HB1      LEU  17  12.729   1.053   0.118
  106   2HB   LEU  17           HB2      LEU  17  11.432   2.232  -0.197
  107    HG   LEU  17           HG       LEU  17  11.099   2.537   2.264
  108   1HD1  LEU  17          HD11      LEU  17  12.785   1.649   3.901
  109   2HD1  LEU  17          HD12      LEU  17  11.759   0.366   3.181
  110   3HD1  LEU  17          HD13      LEU  17  13.459   0.585   2.611
  111   1HD2  LEU  17          HD21      LEU  17  13.211   3.779   2.719
  112   2HD2  LEU  17          HD22      LEU  17  14.023   2.925   1.356
  113   3HD2  LEU  17          HD23      LEU  17  12.647   4.042   1.029
  114    H    THR  18           HN       THR  18   9.344  -0.384   2.569
  115    HA   THR  18           HA       THR  18   7.134   1.435   2.034
  116    HB   THR  18           HB       THR  18   5.712  -0.874   2.779
  117    HG1  THR  18           HG1      THR  18   6.563  -2.660   1.811
  118   1HG2  THR  18          HG21      THR  18   5.088  -1.414   0.528
  119   2HG2  THR  18          HG22      THR  18   5.179   0.370   0.766
  120   3HG2  THR  18          HG23      THR  18   6.492  -0.488  -0.155
  121    H    CYS  19           HN       CYS  19   5.531   1.112   3.891
  122    HA   CYS  19           HA       CYS  19   7.127   1.440   6.241
  123   1HB   CYS  19           HB1      CYS  19   5.300   2.242   7.479
  124   2HB   CYS  19           HB2      CYS  19   5.533   3.132   6.054
  125    H    GLY  20           HN       GLY  20   5.431   0.551   8.292
  126   1HA   GLY  20           HA1      GLY  20   6.086  -2.251   8.370
  127   2HA   GLY  20           HA2      GLY  20   5.274  -1.228   9.617
  128    H    SER  21           HN       SER  21   3.165  -0.210   8.242
  129    HA   SER  21           HA       SER  21   1.304  -2.281   8.297
  130   1HB   SER  21           HB1      SER  21   0.952   0.186   8.934
  131   2HB   SER  21           HB2      SER  21   0.863   0.564   7.185
  132    HG   SER  21           HG1      SER  21  -0.874  -0.930   7.083
  133    H    CYS  22           HN       CYS  22   2.858  -0.627   5.460
  134    HA   CYS  22           HA       CYS  22   1.027  -1.520   3.588
  135   1HB   CYS  22           HB1      CYS  22   3.768  -0.310   3.330
  136   2HB   CYS  22           HB2      CYS  22   2.979  -0.997   1.876
  137    H    LYS  23           HN       LYS  23   3.752  -3.031   4.963
  138    HA   LYS  23           HA       LYS  23   4.111  -5.118   3.221
  139   1HB   LYS  23           HB1      LYS  23   5.719  -4.477   5.030
  140   2HB   LYS  23           HB2      LYS  23   4.569  -5.072   6.252
  141   1HG   LYS  23           HG1      LYS  23   4.793  -7.414   5.239
  142   2HG   LYS  23           HG2      LYS  23   6.040  -6.768   4.129
  143   1HD   LYS  23           HD1      LYS  23   7.528  -6.218   5.991
  144   2HD   LYS  23           HD2      LYS  23   6.252  -6.585   7.198
  145   1HE   LYS  23           HE1      LYS  23   6.278  -8.996   6.602
  146   2HE   LYS  23           HE2      LYS  23   7.456  -8.694   5.272
  147   1HZ   LYS  23           HZ1      LYS  23   7.928  -8.168   8.144
  148   2HZ   LYS  23           HZ2      LYS  23   8.468  -9.519   7.272
  149   3HZ   LYS  23           HZ3      LYS  23   9.037  -7.969   6.875
  150    H    VAL  24           HN       VAL  24   2.327  -5.044   6.263
  151    HA   VAL  24           HA       VAL  24   1.121  -7.524   6.042
  152    HB   VAL  24           HB       VAL  24   0.119  -5.126   7.711
  153   1HG1  VAL  24          HG21      VAL  24  -0.100  -8.134   8.354
  154   2HG1  VAL  24          HG22      VAL  24  -0.654  -6.757   9.390
  155   3HG1  VAL  24          HG23      VAL  24  -1.450  -7.069   7.809
  156   1HG2  VAL  24          HG11      VAL  24   2.382  -7.069   8.461
  157   2HG2  VAL  24          HG12      VAL  24   2.507  -5.296   8.145
  158   3HG2  VAL  24          HG13      VAL  24   1.602  -5.878   9.572
  159    H    PHE  25           HN       PHE  25   0.036  -4.405   5.110
  160    HA   PHE  25           HA       PHE  25  -2.641  -4.715   4.619
  161   1HB   PHE  25           HB1      PHE  25  -1.458  -2.541   4.673
  162   2HB   PHE  25           HB2      PHE  25  -0.403  -3.033   3.343
  163    HD1  PHE  25           HD1      PHE  25  -4.222  -2.964   3.765
  164    HD2  PHE  25           HD2      PHE  25  -0.739  -1.807   1.511
  165    HE1  PHE  25           HE1      PHE  25  -5.667  -2.003   1.999
  166    HE2  PHE  25           HE2      PHE  25  -2.159  -0.859  -0.217
  167    HZ   PHE  25           HZ       PHE  25  -4.637  -0.960  -0.014
  168    H    PHE  26           HN       PHE  26   0.070  -4.771   2.408
  169    HA   PHE  26           HA       PHE  26  -1.203  -5.676   0.151
  170   1HB   PHE  26           HB1      PHE  26   0.913  -4.341   0.180
  171   2HB   PHE  26           HB2      PHE  26   1.787  -5.710   0.936
  172    HD1  PHE  26           HD1      PHE  26  -0.246  -4.878  -2.161
  173    HD2  PHE  26           HD2      PHE  26   2.984  -7.132  -0.448
  174    HE1  PHE  26           HE1      PHE  26   0.451  -5.587  -4.410
  175    HE2  PHE  26           HE2      PHE  26   3.699  -7.814  -2.702
  176    HZ   PHE  26           HZ       PHE  26   2.417  -7.143  -4.679
  177    H    LYS  27           HN       LYS  27   0.594  -7.458   2.550
  178    HA   LYS  27           HA       LYS  27   0.627  -9.886   1.134
  179   1HB   LYS  27           HB1      LYS  27   2.384  -9.417   2.594
  180   2HB   LYS  27           HB2      LYS  27   1.317  -9.273   4.015
  181   1HG   LYS  27           HG1      LYS  27   1.518 -11.923   2.454
  182   2HG   LYS  27           HG2      LYS  27   2.847 -11.431   3.525
  183   1HD   LYS  27           HD1      LYS  27  -0.072 -11.882   4.408
  184   2HD   LYS  27           HD2      LYS  27   1.294 -12.998   4.647
  185   1HE   LYS  27           HE1      LYS  27   1.047 -10.180   5.932
  186   2HE   LYS  27           HE2      LYS  27   0.762 -11.760   6.742
  187   1HZ   LYS  27           HZ1      LYS  27   3.313 -10.821   5.579
  188   2HZ   LYS  27           HZ2      LYS  27   2.901 -10.912   7.225
  189   3HZ   LYS  27           HZ3      LYS  27   3.044 -12.332   6.305
  190    H    ARG  28           HN       ARG  28  -1.847  -8.499   3.146
  191    HA   ARG  28           HA       ARG  28  -3.375 -10.982   3.259
  192   1HB   ARG  28           HB1      ARG  28  -3.644  -8.166   4.421
  193   2HB   ARG  28           HB2      ARG  28  -5.066  -9.235   4.381
  194   1HG   ARG  28           HG1      ARG  28  -3.851  -9.105   6.561
  195   2HG   ARG  28           HG2      ARG  28  -4.241 -10.738   5.958
  196   1HD   ARG  28           HD1      ARG  28  -1.974 -11.344   5.600
  197   2HD   ARG  28           HD2      ARG  28  -1.419  -9.642   5.441
  198    HE   ARG  28           HE       ARG  28  -1.632  -9.304   7.787
  199   1HH1  ARG  28          HH21      ARG  28  -2.994 -12.955   8.785
  200   2HH1  ARG  28          HH22      ARG  28  -2.691 -12.636   7.108
  201   1HH2  ARG  28          HH11      ARG  28  -2.492 -11.342  10.410
  202   2HH2  ARG  28          HH12      ARG  28  -1.814  -9.818   9.947
  203    H    ALA  29           HN       ALA  29  -3.309  -7.815   1.762
  204    HA   ALA  29           HA       ALA  29  -5.793  -7.866   0.509
  205   1HB   ALA  29           HB1      ALA  29  -4.913  -5.887  -0.805
  206   2HB   ALA  29           HB2      ALA  29  -4.682  -5.759   0.962
  207   3HB   ALA  29           HB3      ALA  29  -3.286  -6.220  -0.076
  208    H    VAL  30           HN       VAL  30  -2.790  -9.320  -0.447
  209    HA   VAL  30           HA       VAL  30  -3.533  -9.570  -3.252
  210    HB   VAL  30           HB       VAL  30  -0.999 -10.217  -1.679
  211   1HG1  VAL  30          HG21      VAL  30  -1.435 -10.480  -4.713
  212   2HG1  VAL  30          HG22      VAL  30   0.136 -10.699  -3.831
  213   3HG1  VAL  30          HG23      VAL  30  -1.226 -11.849  -3.546
  214   1HG2  VAL  30          HG11      VAL  30  -1.175  -8.133  -3.925
  215   2HG2  VAL  30          HG12      VAL  30  -1.449  -7.713  -2.204
  216   3HG2  VAL  30          HG13      VAL  30   0.117  -8.413  -2.698
  217    H    GLU  31           HN       GLU  31  -2.305 -11.527  -0.596
  218    HA   GLU  31           HA       GLU  31  -3.488 -13.961  -1.720
  219   1HB   GLU  31           HB1      GLU  31  -1.419 -13.585   0.501
  220   2HB   GLU  31           HB2      GLU  31  -2.040 -15.173  -0.034
  221   1HG   GLU  31           HG1      GLU  31  -0.526 -13.193  -1.871
  222   2HG   GLU  31           HG2      GLU  31   0.245 -14.515  -0.950
  223    H    GLY  32           HN       GLY  32  -5.435 -12.591  -1.089
  224   1HA   GLY  32           HA1      GLY  32  -6.839 -14.092   0.785
  225   2HA   GLY  32           HA2      GLY  32  -6.411 -12.489   1.519
  226    H    GLN  33           HN       GLN  33  -6.460 -10.822  -0.697
  227    HA   GLN  33           HA       GLN  33  -7.579  -9.685  -2.017
  228   1HB   GLN  33           HB1      GLN  33  -8.238 -11.970  -3.079
  229   2HB   GLN  33           HB2      GLN  33  -9.872 -11.644  -2.470
  230   1HG   GLN  33           HG1      GLN  33  -8.179  -9.701  -4.186
  231   2HG   GLN  33           HG2      GLN  33  -9.275 -10.928  -4.911
  232   1HE2  GLN  33          HE21      GLN  33  -9.243  -7.781  -4.760
  233   2HE2  GLN  33          HE22      GLN  33 -10.883  -7.386  -4.368
  234    H    HIS  34           HN       HIS  34  -8.160  -7.923  -0.924
  235    HA   HIS  34           HA       HIS  34 -10.534  -8.050   0.807
  236   1HB   HIS  34           HB1      HIS  34  -8.113  -6.197   0.893
  237   2HB   HIS  34           HB2      HIS  34  -9.629  -5.897   1.804
  238    HD2  HIS  34           HD2      HIS  34  -7.335  -9.177   1.412
  239    HE1  HIS  34           HE1      HIS  34  -8.337  -8.588   5.478
  240    HE2  HIS  34           HE2      HIS  34  -7.116 -10.090   3.811
  241    H    ASN  35           HN       ASN  35 -12.016  -6.202   0.602
  242    HA   ASN  35           HA       ASN  35 -12.138  -5.212  -2.161
  243   1HB   ASN  35           HB1      ASN  35 -14.288  -5.234   0.053
  244   2HB   ASN  35           HB2      ASN  35 -14.520  -4.674  -1.639
  245   1HD2  ASN  35          HD21      ASN  35 -15.051  -8.587  -0.747
  246   2HD2  ASN  35          HD22      ASN  35 -14.966  -7.308   0.419
  247    H    TYR  36           HN       TYR  36 -11.570  -3.143  -2.579
  248    HA   TYR  36           HA       TYR  36 -11.852  -1.119  -0.508
  249   1HB   TYR  36           HB1      TYR  36  -9.568  -0.305  -1.903
  250   2HB   TYR  36           HB2      TYR  36  -9.603  -1.011  -0.281
  251    HD1  TYR  36           HD2      TYR  36  -9.068  -1.899  -3.904
  252    HD2  TYR  36           HD1      TYR  36  -8.593  -3.083   0.210
  253    HE1  TYR  36           HE2      TYR  36  -7.730  -3.828  -4.616
  254    HE2  TYR  36           HE1      TYR  36  -7.169  -4.962  -0.510
  255    HH   TYR  36           HH       TYR  36  -6.351  -6.135  -2.225
  256    H    LEU  37           HN       LEU  37 -10.495  -1.141  -3.807
  257    HA   LEU  37           HA       LEU  37 -11.105  -0.548  -5.732
  258   1HB   LEU  37           HB1      LEU  37 -14.008  -0.811  -4.834
  259   2HB   LEU  37           HB2      LEU  37 -13.528  -0.318  -6.479
  260    HG   LEU  37           HG       LEU  37 -12.224  -2.434  -6.762
  261   1HD1  LEU  37          HD11      LEU  37 -12.833  -4.423  -5.311
  262   2HD1  LEU  37          HD12      LEU  37 -11.780  -3.231  -4.500
  263   3HD1  LEU  37          HD13      LEU  37 -13.545  -3.292  -4.107
  264   1HD2  LEU  37          HD21      LEU  37 -14.206  -3.829  -7.250
  265   2HD2  LEU  37          HD22      LEU  37 -15.235  -2.782  -6.207
  266   3HD2  LEU  37          HD23      LEU  37 -14.495  -2.113  -7.709
  267    H    CYS  38           HN       CYS  38 -10.657   1.292  -6.677
  268    HA   CYS  38           HA       CYS  38 -12.185   3.625  -6.293
  269   1HB   CYS  38           HB1      CYS  38 -10.447   3.636  -4.391
  270   2HB   CYS  38           HB2      CYS  38  -9.171   3.766  -5.628
  271    H    ALA  39           HN       ALA  39 -12.218   2.029  -8.126
  272    HA   ALA  39           HA       ALA  39 -10.464   2.779 -10.314
  273   1HB   ALA  39           HB1      ALA  39 -11.365   0.735 -11.472
  274   2HB   ALA  39           HB2      ALA  39 -10.625   0.322  -9.885
  275   3HB   ALA  39           HB3      ALA  39 -12.414   0.414 -10.034
  276    H    GLY  40           HN       GLY  40 -13.494   3.186  -8.858
  277   1HA   GLY  40           HA1      GLY  40 -14.908   4.011 -11.285
  278   2HA   GLY  40           HA2      GLY  40 -15.551   3.723  -9.624
  279    H    ARG  41           HN       ARG  41 -12.915   5.357  -8.766
  280    HA   ARG  41           HA       ARG  41 -13.977   8.030  -9.305
  281   1HB   ARG  41           HB1      ARG  41 -12.721   7.005  -6.713
  282   2HB   ARG  41           HB2      ARG  41 -13.141   8.709  -7.078
  283   1HG   ARG  41           HG1      ARG  41 -15.113   6.342  -6.855
  284   2HG   ARG  41           HG2      ARG  41 -14.771   7.521  -5.567
  285   1HD   ARG  41           HD1      ARG  41 -15.978   8.263  -8.326
  286   2HD   ARG  41           HD2      ARG  41 -16.950   7.965  -6.844
  287    HE   ARG  41           HE       ARG  41 -14.983  10.200  -7.274
  288   1HH1  ARG  41          HH21      ARG  41 -16.934   9.942  -3.755
  289   2HH1  ARG  41          HH22      ARG  41 -17.215   8.700  -4.929
  290   1HH2  ARG  41          HH11      ARG  41 -15.565  11.765  -4.257
  291   2HH2  ARG  41          HH12      ARG  41 -14.813  11.896  -5.813
  292    H    ASN  42           HN       ASN  42 -11.133   6.776  -7.692
  293    HA   ASN  42           HA       ASN  42  -9.009   6.877  -7.954
  294   1HB   ASN  42           HB1      ASN  42  -9.305   5.606 -10.103
  295   2HB   ASN  42           HB2      ASN  42  -9.402   7.139 -10.994
  296   1HD2  ASN  42          HD21      ASN  42  -5.748   5.935  -9.358
  297   2HD2  ASN  42          HD22      ASN  42  -7.271   5.524  -8.617
  298    H    ASP  43           HN       ASP  43  -9.665   8.813  -6.737
  299    HA   ASP  43           HA       ASP  43  -8.923  11.344  -8.055
  300   1HB   ASP  43           HB1      ASP  43 -10.105  12.420  -5.987
  301   2HB   ASP  43           HB2      ASP  43 -11.061  11.848  -7.389
  302    H    CYS  44           HN       CYS  44  -9.054   9.866  -4.759
  303    HA   CYS  44           HA       CYS  44  -7.555  11.678  -3.634
  304   1HB   CYS  44           HB1      CYS  44  -7.236   9.523  -1.848
  305   2HB   CYS  44           HB2      CYS  44  -8.611  10.604  -1.955
  306    H    ILE  45           HN       ILE  45  -5.487  11.807  -2.702
  307    HA   ILE  45           HA       ILE  45  -3.348  10.263  -3.970
  308    HB   ILE  45           HB       ILE  45  -3.295  12.783  -2.201
  309   1HG1  ILE  45          HG11      ILE  45  -4.219  13.323  -4.389
  310   2HG1  ILE  45          HG12      ILE  45  -2.609  14.055  -4.168
  311   1HG2  ILE  45          HG21      ILE  45  -0.863  13.005  -2.811
  312   2HG2  ILE  45          HG22      ILE  45  -1.192  11.566  -1.797
  313   3HG2  ILE  45          HG23      ILE  45  -0.913  11.369  -3.566
  314   1HD1  ILE  45           HD1      ILE  45  -2.859  13.194  -6.476
  315   2HD1  ILE  45           HD2      ILE  45  -1.589  12.247  -5.626
  316   3HD1  ILE  45           HD3      ILE  45  -3.231  11.542  -5.869
  317    H    ILE  46           HN       ILE  46  -1.947   9.057  -2.561
  318    HA   ILE  46           HA       ILE  46  -3.090   8.514   0.097
  319    HB   ILE  46           HB       ILE  46  -2.713   6.816  -2.190
  320   1HG1  ILE  46          HG11      ILE  46  -3.810   5.105  -0.814
  321   2HG1  ILE  46          HG12      ILE  46  -3.524   6.041   0.678
  322   1HG2  ILE  46          HG21      ILE  46  -1.544   4.914  -1.380
  323   2HG2  ILE  46          HG22      ILE  46  -0.429   6.295  -1.591
  324   3HG2  ILE  46          HG23      ILE  46  -0.929   5.784   0.083
  325   1HD1  ILE  46           HD1      ILE  46  -5.858   6.158  -0.493
  326   2HD1  ILE  46           HD2      ILE  46  -5.131   7.728   0.030
  327   3HD1  ILE  46           HD3      ILE  46  -5.067   7.232  -1.702
  328    H    ASP  47           HN       ASP  47  -1.927   9.119   1.694
  329    HA   ASP  47           HA       ASP  47   0.896   8.938   1.599
  330   1HB   ASP  47           HB1      ASP  47   1.557  11.164   2.040
  331   2HB   ASP  47           HB2      ASP  47   0.817  11.031   0.437
  332    H    LYS  48           HN       LYS  48   1.308  10.545   3.857
  333    HA   LYS  48           HA       LYS  48   0.877   8.793   5.880
  334   1HB   LYS  48           HB1      LYS  48   2.802  10.178   5.717
  335   2HB   LYS  48           HB2      LYS  48   1.834  11.666   5.566
  336   1HG   LYS  48           HG1      LYS  48   1.277  11.663   7.923
  337   2HG   LYS  48           HG2      LYS  48   2.010  10.044   8.176
  338   1HD   LYS  48           HD1      LYS  48   4.259  10.925   7.688
  339   2HD   LYS  48           HD2      LYS  48   3.598  12.508   7.186
  340   1HE   LYS  48           HE1      LYS  48   3.348  11.385  10.070
  341   2HE   LYS  48           HE2      LYS  48   4.648  12.504   9.510
  342   1HZ   LYS  48           HZ1      LYS  48   2.912  13.681  10.559
  343   2HZ   LYS  48           HZ2      LYS  48   2.952  14.081   8.908
  344   3HZ   LYS  48           HZ3      LYS  48   1.740  13.049   9.502
  345    H    ILE  49           HN       ILE  49  -1.452  10.949   4.725
  346    HA   ILE  49           HA       ILE  49  -2.888  11.054   7.291
  347    HB   ILE  49           HB       ILE  49  -2.728  12.983   4.919
  348   1HG1  ILE  49          HG11      ILE  49  -0.824  13.362   6.284
  349   2HG1  ILE  49          HG12      ILE  49  -1.975  14.692   6.559
  350   1HG2  ILE  49          HG21      ILE  49  -4.328  14.500   6.099
  351   2HG2  ILE  49          HG22      ILE  49  -5.043  12.938   5.556
  352   3HG2  ILE  49          HG23      ILE  49  -4.653  13.188   7.305
  353   1HD1  ILE  49           HD1      ILE  49  -1.027  14.115   8.715
  354   2HD1  ILE  49           HD2      ILE  49  -2.711  13.472   8.733
  355   3HD1  ILE  49           HD3      ILE  49  -1.318  12.360   8.473
  356    H    ARG  50           HN       ARG  50  -3.120  10.986   3.814
  357    HA   ARG  50           HA       ARG  50  -5.889  10.397   3.759
  358   1HB   ARG  50           HB1      ARG  50  -3.824  10.560   1.521
  359   2HB   ARG  50           HB2      ARG  50  -5.610  10.444   1.271
  360   1HG   ARG  50           HG1      ARG  50  -5.916  12.587   2.540
  361   2HG   ARG  50           HG2      ARG  50  -4.139  12.730   2.721
  362   1HD   ARG  50           HD1      ARG  50  -3.885  12.871   0.203
  363   2HD   ARG  50           HD2      ARG  50  -5.672  12.694   0.028
  364    HE   ARG  50           HE       ARG  50  -5.990  14.806   1.137
  365   1HH1  ARG  50          HH21      ARG  50  -2.122  15.644   1.872
  366   2HH1  ARG  50          HH22      ARG  50  -2.483  14.178   1.020
  367   1HH2  ARG  50          HH11      ARG  50  -3.826  17.127   2.454
  368   2HH2  ARG  50          HH12      ARG  50  -5.473  16.783   2.040
  369    H    ARG  51           HN       ARG  51  -3.498   8.342   4.444
  370    HA   ARG  51           HA       ARG  51  -4.019   6.134   2.797
  371   1HB   ARG  51           HB1      ARG  51  -2.708   4.740   4.155
  372   2HB   ARG  51           HB2      ARG  51  -1.927   6.328   4.131
  373   1HG   ARG  51           HG1      ARG  51  -3.528   5.056   6.434
  374   2HG   ARG  51           HG2      ARG  51  -1.763   5.281   6.333
  375   1HD   ARG  51           HD1      ARG  51  -1.995   7.748   6.530
  376   2HD   ARG  51           HD2      ARG  51  -3.803   7.609   6.510
  377    HE   ARG  51           HE       ARG  51  -2.139   6.212   8.577
  378   1HH1  ARG  51          HH21      ARG  51  -4.073   9.589   9.584
  379   2HH1  ARG  51          HH22      ARG  51  -4.112   9.096   7.925
  380   1HH2  ARG  51          HH11      ARG  51  -3.074   8.235  11.202
  381   2HH2  ARG  51          HH12      ARG  51  -2.361   6.719  10.760
  382    H    LYS  52           HN       LYS  52  -5.610   7.284   5.702
  383    HA   LYS  52           HA       LYS  52  -7.105   4.958   6.219
  384   1HB   LYS  52           HB1      LYS  52  -5.947   6.595   7.866
  385   2HB   LYS  52           HB2      LYS  52  -7.212   7.776   7.460
  386   1HG   LYS  52           HG1      LYS  52  -8.949   6.126   8.329
  387   2HG   LYS  52           HG2      LYS  52  -7.617   4.984   8.705
  388   1HD   LYS  52           HD1      LYS  52  -6.634   6.701  10.299
  389   2HD   LYS  52           HD2      LYS  52  -7.971   7.816   9.892
  390   1HE   LYS  52           HE1      LYS  52  -8.510   6.776  12.033
  391   2HE   LYS  52           HE2      LYS  52  -9.640   6.089  10.806
  392   1HZ   LYS  52           HZ1      LYS  52  -8.221   4.167  10.670
  393   2HZ   LYS  52           HZ2      LYS  52  -7.165   4.818  11.831
  394   3HZ   LYS  52           HZ3      LYS  52  -8.765   4.438  12.256
  395    H    ASN  53           HN       ASN  53  -7.323   7.516   4.033
  396    HA   ASN  53           HA       ASN  53 -10.160   7.932   4.192
  397   1HB   ASN  53           HB1      ASN  53  -8.160   9.044   2.104
  398   2HB   ASN  53           HB2      ASN  53  -9.875   9.478   2.230
  399   1HD2  ASN  53          HD21      ASN  53  -8.264  12.313   3.808
  400   2HD2  ASN  53          HD22      ASN  53  -8.615  11.630   2.256
  401    H    CYS  54           HN       CYS  54  -7.772   5.988   2.449
  402    HA   CYS  54           HA       CYS  54  -9.857   4.582   1.066
  403   1HB   CYS  54           HB1      CYS  54  -9.674   6.517  -0.396
  404   2HB   CYS  54           HB2      CYS  54  -7.907   6.406  -0.445
  405    HA   PRO  55           HA       PRO  55  -6.144   1.940   1.279
  406   1HB   PRO  55           HB1      PRO  55  -7.286  -0.344   2.131
  407   2HB   PRO  55           HB2      PRO  55  -7.239   1.059   3.169
  408   1HG   PRO  55           HG1      PRO  55  -9.568   0.113   1.491
  409   2HG   PRO  55           HG2      PRO  55  -9.574   0.621   3.169
  410   1HD   PRO  55           HD1      PRO  55 -10.170   2.288   0.977
  411   2HD   PRO  55           HD2      PRO  55  -9.671   2.868   2.570
  412    H    ALA  56           HN       ALA  56  -7.555   2.652  -1.335
  413    HA   ALA  56           HA       ALA  56  -7.587   0.089  -2.716
  414   1HB   ALA  56           HB1      ALA  56  -9.092   1.072  -4.342
  415   2HB   ALA  56           HB2      ALA  56  -9.765   1.547  -2.728
  416   3HB   ALA  56           HB3      ALA  56  -8.820   2.721  -3.660
  417    H    CYS  57           HN       CYS  57  -6.831   3.614  -2.896
  418    HA   CYS  57           HA       CYS  57  -5.223   3.601  -5.090
  419   1HB   CYS  57           HB1      CYS  57  -5.477   5.408  -2.668
  420   2HB   CYS  57           HB2      CYS  57  -4.375   5.825  -3.993
  421    H    ARG  58           HN       ARG  58  -4.394   3.264  -1.709
  422    HA   ARG  58           HA       ARG  58  -1.661   3.154  -2.104
  423   1HB   ARG  58           HB1      ARG  58  -1.565   1.941   0.213
  424   2HB   ARG  58           HB2      ARG  58  -2.035   3.639   0.086
  425   1HG   ARG  58           HG1      ARG  58  -4.428   3.070   0.150
  426   2HG   ARG  58           HG2      ARG  58  -4.034   1.337   0.333
  427   1HD   ARG  58           HD1      ARG  58  -3.074   3.594   2.252
  428   2HD   ARG  58           HD2      ARG  58  -4.553   2.588   2.554
  429    HE   ARG  58           HE       ARG  58  -1.836   1.352   2.196
  430   1HH1  ARG  58          HH21      ARG  58  -3.318   1.773   5.908
  431   2HH1  ARG  58          HH22      ARG  58  -4.233   2.428   4.591
  432   1HH2  ARG  58          HH11      ARG  58  -1.373   0.538   5.506
  433   2HH2  ARG  58          HH12      ARG  58  -0.827   0.267   3.884
  434    H    TYR  59           HN       TYR  59  -4.041   0.722  -2.750
  435    HA   TYR  59           HA       TYR  59  -2.201  -1.496  -2.578
  436   1HB   TYR  59           HB1      TYR  59  -4.661  -1.809  -2.145
  437   2HB   TYR  59           HB2      TYR  59  -5.011  -1.352  -3.831
  438    HD1  TYR  59           HD1      TYR  59  -3.207  -3.934  -1.753
  439    HD2  TYR  59           HD2      TYR  59  -4.862  -2.935  -5.598
  440    HE1  TYR  59           HE1      TYR  59  -2.946  -6.293  -2.491
  441    HE2  TYR  59           HE2      TYR  59  -4.555  -5.270  -6.336
  442    HH   TYR  59           HH       TYR  59  -3.184  -7.763  -4.149
  443    H    ARG  60           HN       ARG  60  -3.763   0.545  -5.144
  444    HA   ARG  60           HA       ARG  60  -2.354  -0.708  -7.207
  445   1HB   ARG  60           HB1      ARG  60  -3.476   0.593  -8.747
  446   2HB   ARG  60           HB2      ARG  60  -4.600   0.348  -7.385
  447   1HG   ARG  60           HG1      ARG  60  -3.542   2.748  -6.630
  448   2HG   ARG  60           HG2      ARG  60  -3.253   2.893  -8.370
  449   1HD   ARG  60           HD1      ARG  60  -6.026   2.396  -7.024
  450   2HD   ARG  60           HD2      ARG  60  -5.360   3.982  -7.552
  451    HE   ARG  60           HE       ARG  60  -5.458   3.289  -9.847
  452   1HH1  ARG  60          HH21      ARG  60  -7.198  -0.304  -9.228
  453   2HH1  ARG  60          HH22      ARG  60  -6.815   0.664  -7.842
  454   1HH2  ARG  60          HH11      ARG  60  -6.797   0.509 -11.387
  455   2HH2  ARG  60          HH12      ARG  60  -6.114   2.085 -11.617
  456    H    LYS  61           HN       LYS  61  -1.563   1.938  -5.116
  457    HA   LYS  61           HA       LYS  61   0.433   3.137  -6.598
  458   1HB   LYS  61           HB1      LYS  61  -0.893   4.282  -4.839
  459   2HB   LYS  61           HB2      LYS  61  -0.282   3.116  -3.634
  460   1HG   LYS  61           HG1      LYS  61   0.917   4.949  -3.109
  461   2HG   LYS  61           HG2      LYS  61   2.093   4.183  -4.210
  462   1HD   LYS  61           HD1      LYS  61   0.145   6.503  -4.851
  463   2HD   LYS  61           HD2      LYS  61   1.904   6.647  -4.548
  464   1HE   LYS  61           HE1      LYS  61   2.356   5.220  -6.629
  465   2HE   LYS  61           HE2      LYS  61   0.580   5.239  -6.975
  466   1HZ   LYS  61           HZ1      LYS  61   1.789   6.894  -8.173
  467   2HZ   LYS  61           HZ2      LYS  61   0.662   7.596  -7.114
  468   3HZ   LYS  61           HZ3      LYS  61   2.316   7.618  -6.730
  469    H    CYS  62           HN       CYS  62   0.548   0.811  -3.947
  470    HA   CYS  62           HA       CYS  62   3.294   0.607  -3.823
  471   1HB   CYS  62           HB1      CYS  62   3.041  -1.079  -2.201
  472   2HB   CYS  62           HB2      CYS  62   1.704   0.035  -2.006
  473    HG1  CYS  62           HG1      CYS  62   1.583  -2.872  -3.577
  474    H    LEU  63           HN       LEU  63   0.953  -1.210  -5.774
  475    HA   LEU  63           HA       LEU  63   2.738  -3.010  -6.916
  476   1HB   LEU  63           HB1      LEU  63   0.048  -1.869  -7.840
  477   2HB   LEU  63           HB2      LEU  63   0.917  -3.081  -8.827
  478    HG   LEU  63           HG       LEU  63   0.113  -3.582  -5.907
  479   1HD1  LEU  63          HD11      LEU  63  -1.797  -4.903  -6.796
  480   2HD1  LEU  63          HD12      LEU  63  -1.935  -3.164  -7.245
  481   3HD1  LEU  63          HD13      LEU  63  -1.405  -4.373  -8.473
  482   1HD2  LEU  63          HD21      LEU  63   0.423  -6.007  -6.577
  483   2HD2  LEU  63          HD22      LEU  63   1.047  -5.467  -8.172
  484   3HD2  LEU  63          HD23      LEU  63   1.948  -5.056  -6.665
  485    H    GLN  64           HN       GLN  64   1.819   0.331  -7.822
  486    HA   GLN  64           HA       GLN  64   3.070   0.454 -10.246
  487   1HB   GLN  64           HB1      GLN  64   1.322   2.022  -9.132
  488   2HB   GLN  64           HB2      GLN  64   2.696   2.799  -8.301
  489   1HG   GLN  64           HG1      GLN  64   3.710   3.276 -10.626
  490   2HG   GLN  64           HG2      GLN  64   2.203   2.606 -11.343
  491   1HE2  GLN  64          HE21      GLN  64   0.077   3.672 -10.445
  492   2HE2  GLN  64          HE22      GLN  64   0.102   5.385 -10.194
  493    H    ALA  65           HN       ALA  65   4.210   0.814  -6.989
  494    HA   ALA  65           HA       ALA  65   6.644   2.037  -7.429
  495   1HB   ALA  65           HB1      ALA  65   7.107   1.735  -5.134
  496   2HB   ALA  65           HB2      ALA  65   5.317   1.839  -5.201
  497   3HB   ALA  65           HB3      ALA  65   6.108   0.233  -5.020
  498    H    GLY  66           HN       GLY  66   5.661  -1.316  -7.358
  499   1HA   GLY  66           HA1      GLY  66   6.854  -2.673  -8.962
  500   2HA   GLY  66           HA2      GLY  66   8.382  -2.191  -8.134
  501    H    MET  67           HN       MET  67   5.523  -2.675  -6.161
  502    HA   MET  67           HA       MET  67   6.780  -4.600  -4.620
  503   1HB   MET  67           HB1      MET  67   3.851  -3.789  -4.704
  504   2HB   MET  67           HB2      MET  67   4.485  -4.959  -3.514
  505   1HG   MET  67           HG1      MET  67   5.718  -2.155  -3.766
  506   2HG   MET  67           HG2      MET  67   4.219  -2.459  -2.869
  507   1HE   MET  67           HE1      MET  67   3.894  -3.410  -0.630
  508   2HE   MET  67           HE2      MET  67   5.123  -4.212   0.387
  509   3HE   MET  67           HE3      MET  67   4.444  -5.085  -1.041
  510    H    ASN  68           HN       ASN  68   6.230  -6.875  -4.228
  511    HA   ASN  68           HA       ASN  68   4.414  -8.283  -5.824
  512   1HB   ASN  68           HB1      ASN  68   6.658  -7.876  -7.388
  513   2HB   ASN  68           HB2      ASN  68   7.329  -9.158  -6.410
  514   1HD2  ASN  68          HD21      ASN  68   4.150 -11.097  -7.934
  515   2HD2  ASN  68          HD22      ASN  68   4.082 -10.082  -6.531
  516    H    LEU  69           HN       LEU  69   3.931  -9.935  -4.497
  517    HA   LEU  69           HA       LEU  69   5.546 -10.282  -2.120
  518   1HB   LEU  69           HB1      LEU  69   3.518  -9.600  -1.465
  519   2HB   LEU  69           HB2      LEU  69   2.689 -10.371  -2.858
  520    HG   LEU  69           HG       LEU  69   2.943 -12.633  -1.613
  521   1HD1  LEU  69          HD11      LEU  69   3.220 -12.522   0.849
  522   2HD1  LEU  69          HD12      LEU  69   4.707 -11.914   0.040
  523   3HD1  LEU  69          HD13      LEU  69   3.530 -10.746   0.759
  524   1HD2  LEU  69          HD21      LEU  69   0.962 -12.008  -0.100
  525   2HD2  LEU  69          HD22      LEU  69   1.197 -10.312  -0.705
  526   3HD2  LEU  69          HD23      LEU  69   0.837 -11.626  -1.858
  527    H    GLU  70           HN       GLU  70   6.378 -11.214  -4.608
  528    HA   GLU  70           HA       GLU  70   7.418 -13.708  -3.933
  529   1HB   GLU  70           HB1      GLU  70   5.854 -13.453  -6.579
  530   2HB   GLU  70           HB2      GLU  70   6.962 -14.800  -6.133
  531   1HG   GLU  70           HG1      GLU  70   5.352 -15.424  -4.241
  532   2HG   GLU  70           HG2      GLU  70   4.242 -14.125  -4.802
  533    H    ALA  71           HN       ALA  71   8.501 -11.453  -3.731
  534    HA   ALA  71           HA       ALA  71   9.871 -10.639  -6.210
  535   1HB   ALA  71           HB1      ALA  71  10.516  -8.557  -4.868
  536   2HB   ALA  71           HB2      ALA  71   8.758  -8.739  -5.120
  537   3HB   ALA  71           HB3      ALA  71   9.484  -9.166  -3.527
  538    H    ARG  72           HN       ARG  72  12.191  -9.976  -5.842
  539    HA   ARG  72           HA       ARG  72  13.576 -11.462  -3.764
  540   1HB   ARG  72           HB1      ARG  72  13.450 -12.986  -5.787
  541   2HB   ARG  72           HB2      ARG  72  14.202 -11.709  -6.774
  542   1HG   ARG  72           HG1      ARG  72  15.861 -13.392  -6.191
  543   2HG   ARG  72           HG2      ARG  72  16.294 -11.863  -5.370
  544   1HD   ARG  72           HD1      ARG  72  15.342 -12.743  -3.203
  545   2HD   ARG  72           HD2      ARG  72  14.862 -14.280  -4.042
  546    HE   ARG  72           HE       ARG  72  17.337 -14.491  -4.620
  547   1HH1  ARG  72          HH21      ARG  72  17.061 -14.650  -0.609
  548   2HH1  ARG  72          HH22      ARG  72  15.973 -13.601  -1.456
  549   1HH2  ARG  72          HH11      ARG  72  18.888 -15.635  -3.486
  550   2HH2  ARG  72          HH12      ARG  72  18.729 -15.814  -1.770
   
  No H/Q in entry =         550
  Start of MODEL    2
    1   1H    LEU   1           HT1      LEU   1  12.222   5.676   3.538
    2   2H    LEU   1           HT2      LEU   1  12.241   6.432   5.058
    3   3H    LEU   1           HT3      LEU   1  11.783   4.802   4.927
    4    HA   LEU   1           HA       LEU   1   9.902   6.148   5.257
    5   1HB   LEU   1           HB1      LEU   1  10.774   7.497   2.616
    6   2HB   LEU   1           HB2      LEU   1   9.187   7.768   3.393
    7    HG   LEU   1           HG       LEU   1  11.903   8.494   4.630
    8   1HD1  LEU   1          HD11      LEU   1  11.301  10.848   4.114
    9   2HD1  LEU   1          HD12      LEU   1  11.407   9.856   2.616
   10   3HD1  LEU   1          HD13      LEU   1   9.794  10.301   3.287
   11   1HD2  LEU   1          HD21      LEU   1  10.538   9.828   6.272
   12   2HD2  LEU   1          HD22      LEU   1   9.031   9.107   5.593
   13   3HD2  LEU   1          HD23      LEU   1  10.258   8.061   6.406
   14    H    CYS   2           HN       CYS   2   7.945   5.326   4.561
   15    HA   CYS   2           HA       CYS   2   7.712   3.142   2.893
   16   1HB   CYS   2           HB1      CYS   2   6.268   3.500   4.887
   17   2HB   CYS   2           HB2      CYS   2   5.594   5.005   4.109
   18    H    LEU   3           HN       LEU   3   7.157   3.078   0.666
   19    HA   LEU   3           HA       LEU   3   7.201   5.713  -0.497
   20   1HB   LEU   3           HB1      LEU   3   7.812   2.951  -1.532
   21   2HB   LEU   3           HB2      LEU   3   7.818   4.361  -2.654
   22    HG   LEU   3           HG       LEU   3   9.569   4.136  -0.156
   23   1HD1  LEU   3          HD11      LEU   3  11.501   3.744  -1.712
   24   2HD1  LEU   3          HD12      LEU   3  10.279   2.435  -1.838
   25   3HD1  LEU   3          HD13      LEU   3  10.371   3.701  -3.115
   26   1HD2  LEU   3          HD21      LEU   3  10.855   6.062  -1.131
   27   2HD2  LEU   3          HD22      LEU   3   9.628   6.202  -2.445
   28   3HD2  LEU   3          HD23      LEU   3   9.163   6.496  -0.728
   29    H    VAL   4           HN       VAL   4   4.952   4.225   0.618
   30    HA   VAL   4           HA       VAL   4   3.102   4.188  -1.665
   31    HB   VAL   4           HB       VAL   4   2.702   2.664   0.940
   32   1HG1  VAL   4          HG21      VAL   4   1.267   2.422  -1.737
   33   2HG1  VAL   4          HG22      VAL   4   0.960   1.453  -0.231
   34   3HG1  VAL   4          HG23      VAL   4   0.647   3.225  -0.245
   35   1HG2  VAL   4          HG11      VAL   4   3.953   1.592  -1.617
   36   2HG2  VAL   4          HG12      VAL   4   4.726   1.809  -0.006
   37   3HG2  VAL   4          HG13      VAL   4   3.403   0.611  -0.188
   38    H    CYS   5           HN       CYS   5   3.041   4.503   1.877
   39    HA   CYS   5           HA       CYS   5   1.005   6.625   1.520
   40   1HB   CYS   5           HB1      CYS   5  -0.009   6.151   3.590
   41   2HB   CYS   5           HB2      CYS   5   0.043   4.695   2.598
   42    H    SER   6           HN       SER   6   4.022   6.529   1.533
   43    HA   SER   6           HA       SER   6   5.727   7.822   2.222
   44   1HB   SER   6           HB1      SER   6   3.731  10.031   2.088
   45   2HB   SER   6           HB2      SER   6   5.463  10.083   1.556
   46    HG   SER   6           HG1      SER   6   3.331   8.486   0.518
   47    H    ASP   7           HN       ASP   7   5.323   6.640   4.389
   48    HA   ASP   7           HA       ASP   7   5.205   8.611   6.614
   49   1HB   ASP   7           HB1      ASP   7   3.209   7.024   6.269
   50   2HB   ASP   7           HB2      ASP   7   4.308   5.642   6.412
   51    H    GLU   8           HN       GLU   8   6.492   7.495   8.591
   52    HA   GLU   8           HA       GLU   8   9.066   6.910   7.757
   53   1HB   GLU   8           HB1      GLU   8   8.442   6.116  10.562
   54   2HB   GLU   8           HB2      GLU   8   9.777   7.086   9.878
   55   1HG   GLU   8           HG1      GLU   8   8.091   9.033   9.617
   56   2HG   GLU   8           HG2      GLU   8   6.851   7.999  10.408
   57    H    ALA   9           HN       ALA   9   9.895   5.031   6.916
   58    HA   ALA   9           HA       ALA   9   8.316   2.644   7.166
   59   1HB   ALA   9           HB1      ALA   9  10.262   1.729   5.552
   60   2HB   ALA   9           HB2      ALA   9   8.963   2.765   4.931
   61   3HB   ALA   9           HB3      ALA   9  10.592   3.464   5.359
   62    H    SER  10           HN       SER  10   9.260   0.565   7.487
   63    HA   SER  10           HA       SER  10  11.109   0.509   9.732
   64   1HB   SER  10           HB1      SER  10   8.832  -0.613   9.928
   65   2HB   SER  10           HB2      SER  10   9.286  -1.709   8.587
   66    HG   SER  10           HG1      SER  10   9.639  -2.569  10.661
   67    H    GLY  11           HN       GLY  11  10.430  -0.785   6.428
   68   1HA   GLY  11           HA1      GLY  11  12.865  -0.666   5.379
   69   2HA   GLY  11           HA2      GLY  11  12.859  -2.259   6.256
   70    H    CYS  12           HN       CYS  12  13.152  -2.506   3.601
   71    HA   CYS  12           HA       CYS  12  10.622  -2.782   2.272
   72   1HB   CYS  12           HB1      CYS  12  11.999  -3.797   0.398
   73   2HB   CYS  12           HB2      CYS  12  12.470  -2.145   0.844
   74    HG1  CYS  12           HG1      CYS  12  13.932  -4.945   1.853
   75    H    HIS  13           HN       HIS  13   9.711  -4.938   1.547
   76    HA   HIS  13           HA       HIS  13  10.907  -7.188   3.029
   77   1HB   HIS  13           HB1      HIS  13   9.286  -5.929   4.624
   78   2HB   HIS  13           HB2      HIS  13   7.975  -6.492   3.560
   79    HD2  HIS  13           HD2      HIS  13   7.171  -9.137   4.098
   80    HE1  HIS  13           HE1      HIS  13  10.391 -10.131   6.649
   81    HE2  HIS  13           HE2      HIS  13   8.166 -10.911   5.663
   82    H    TYR  14           HN       TYR  14   8.973  -5.923   0.464
   83    HA   TYR  14           HA       TYR  14   8.751  -8.598  -0.674
   84   1HB   TYR  14           HB1      TYR  14   6.592  -6.399  -0.710
   85   2HB   TYR  14           HB2      TYR  14   6.499  -7.777  -1.720
   86    HD1  TYR  14           HD1      TYR  14   7.378 -10.120  -0.010
   87    HD2  TYR  14           HD2      TYR  14   4.719  -6.885   0.815
   88    HE1  TYR  14           HE1      TYR  14   6.527 -11.355   1.885
   89    HE2  TYR  14           HE2      TYR  14   3.883  -8.108   2.772
   90    HH   TYR  14           HH       TYR  14   5.122 -11.356   3.644
   91    H    GLY  15           HN       GLY  15   7.783  -5.994  -2.651
   92   1HA   GLY  15           HA1      GLY  15  10.440  -6.093  -3.856
   93   2HA   GLY  15           HA2      GLY  15   8.914  -5.434  -4.501
   94    H    VAL  16           HN       VAL  16   8.784  -3.813  -1.706
   95    HA   VAL  16           HA       VAL  16  10.645  -1.690  -2.594
   96    HB   VAL  16           HB       VAL  16   7.687  -1.311  -1.984
   97   1HG1  VAL  16          HG21      VAL  16   9.600   0.679  -3.286
   98   2HG1  VAL  16          HG22      VAL  16   7.801   0.815  -3.171
   99   3HG1  VAL  16          HG23      VAL  16   8.768   0.817  -1.673
  100   1HG2  VAL  16          HG11      VAL  16   8.954  -1.356  -4.802
  101   2HG2  VAL  16          HG12      VAL  16   7.896  -2.620  -4.090
  102   3HG2  VAL  16          HG13      VAL  16   7.230  -0.997  -4.402
  103    H    LEU  17           HN       LEU  17  10.908  -0.064  -1.162
  104    HA   LEU  17           HA       LEU  17  11.120  -0.619   1.592
  105   1HB   LEU  17           HB1      LEU  17  12.715   0.861   0.347
  106   2HB   LEU  17           HB2      LEU  17  11.400   2.017   0.035
  107    HG   LEU  17           HG       LEU  17  11.194   2.427   2.516
  108   1HD1  LEU  17          HD11      LEU  17  13.032   1.713   4.052
  109   2HD1  LEU  17          HD12      LEU  17  12.051   0.338   3.441
  110   3HD1  LEU  17          HD13      LEU  17  13.693   0.644   2.756
  111   1HD2  LEU  17          HD21      LEU  17  13.238   3.824   2.717
  112   2HD2  LEU  17          HD22      LEU  17  14.000   2.938   1.343
  113   3HD2  LEU  17          HD23      LEU  17  12.529   3.943   1.066
  114    H    THR  18           HN       THR  18   9.330  -0.761   2.887
  115    HA   THR  18           HA       THR  18   7.175   1.220   2.515
  116    HB   THR  18           HB       THR  18   5.652  -0.941   3.213
  117    HG1  THR  18           HG1      THR  18   6.518  -2.878   2.566
  118   1HG2  THR  18          HG21      THR  18   5.273  -1.707   0.989
  119   2HG2  THR  18          HG22      THR  18   5.508   0.088   1.018
  120   3HG2  THR  18          HG23      THR  18   6.840  -1.004   0.402
  121    H    CYS  19           HN       CYS  19   5.563   0.866   4.327
  122    HA   CYS  19           HA       CYS  19   7.113   1.232   6.732
  123   1HB   CYS  19           HB1      CYS  19   5.237   1.977   7.967
  124   2HB   CYS  19           HB2      CYS  19   5.526   2.931   6.579
  125    H    GLY  20           HN       GLY  20   5.294   0.293   8.714
  126   1HA   GLY  20           HA1      GLY  20   5.968  -2.502   8.766
  127   2HA   GLY  20           HA2      GLY  20   5.083  -1.511   9.989
  128    H    SER  21           HN       SER  21   2.981  -0.518   8.672
  129    HA   SER  21           HA       SER  21   1.260  -2.734   8.510
  130   1HB   SER  21           HB1      SER  21  -0.597  -1.136   8.181
  131   2HB   SER  21           HB2      SER  21   0.463  -0.725   9.563
  132    HG   SER  21           HG1      SER  21  -0.064   1.059   8.317
  133    H    CYS  22           HN       CYS  22   2.761  -0.837   5.850
  134    HA   CYS  22           HA       CYS  22   0.948  -1.644   3.901
  135   1HB   CYS  22           HB1      CYS  22   3.662  -0.374   3.677
  136   2HB   CYS  22           HB2      CYS  22   2.825  -0.969   2.211
  137    H    LYS  23           HN       LYS  23   3.630  -3.234   5.258
  138    HA   LYS  23           HA       LYS  23   4.133  -5.166   3.371
  139   1HB   LYS  23           HB1      LYS  23   5.617  -4.716   5.330
  140   2HB   LYS  23           HB2      LYS  23   4.349  -5.304   6.427
  141   1HG   LYS  23           HG1      LYS  23   4.597  -7.616   5.119
  142   2HG   LYS  23           HG2      LYS  23   6.116  -6.922   4.507
  143   1HD   LYS  23           HD1      LYS  23   5.281  -7.405   7.445
  144   2HD   LYS  23           HD2      LYS  23   6.479  -8.340   6.511
  145   1HE   LYS  23           HE1      LYS  23   7.942  -6.217   6.385
  146   2HE   LYS  23           HE2      LYS  23   6.748  -5.395   7.456
  147   1HZ   LYS  23           HZ1      LYS  23   8.584  -6.284   8.657
  148   2HZ   LYS  23           HZ2      LYS  23   7.148  -7.077   9.098
  149   3HZ   LYS  23           HZ3      LYS  23   8.269  -7.852   8.085
  150    H    VAL  24           HN       VAL  24   2.291  -5.407   6.340
  151    HA   VAL  24           HA       VAL  24   1.085  -7.834   5.935
  152    HB   VAL  24           HB       VAL  24   0.077  -5.515   7.706
  153   1HG1  VAL  24          HG21      VAL  24  -0.225  -8.554   8.148
  154   2HG1  VAL  24          HG22      VAL  24  -0.716  -7.249   9.302
  155   3HG1  VAL  24          HG23      VAL  24  -1.535  -7.397   7.709
  156   1HG2  VAL  24          HG11      VAL  24   2.312  -7.517   8.376
  157   2HG2  VAL  24          HG12      VAL  24   2.458  -5.729   8.159
  158   3HG2  VAL  24          HG13      VAL  24   1.533  -6.382   9.542
  159    H    PHE  25           HN       PHE  25  -0.025  -4.662   5.187
  160    HA   PHE  25           HA       PHE  25  -2.677  -5.001   4.573
  161   1HB   PHE  25           HB1      PHE  25  -1.583  -2.795   4.828
  162   2HB   PHE  25           HB2      PHE  25  -0.454  -3.157   3.517
  163    HD1  PHE  25           HD2      PHE  25  -4.298  -3.330   3.700
  164    HD2  PHE  25           HD1      PHE  25  -0.753  -1.804   1.785
  165    HE1  PHE  25           HE2      PHE  25  -5.673  -2.395   1.867
  166    HE2  PHE  25           HE1      PHE  25  -2.093  -0.925  -0.023
  167    HZ   PHE  25           HZ       PHE  25  -4.576  -1.205  -0.025
  168    H    PHE  26           HN       PHE  26   0.140  -4.879   2.515
  169    HA   PHE  26           HA       PHE  26  -0.989  -5.563   0.110
  170   1HB   PHE  26           HB1      PHE  26   1.094  -4.292   0.287
  171   2HB   PHE  26           HB2      PHE  26   1.924  -5.696   1.024
  172    HD1  PHE  26           HD2      PHE  26   0.115  -4.652  -2.152
  173    HD2  PHE  26           HD1      PHE  26   2.967  -7.274  -0.322
  174    HE1  PHE  26           HE2      PHE  26   0.892  -5.364  -4.384
  175    HE2  PHE  26           HE1      PHE  26   3.786  -7.937  -2.519
  176    HZ   PHE  26           HZ       PHE  26   2.751  -7.044  -4.578
  177    H    LYS  27           HN       LYS  27   0.657  -7.586   2.471
  178    HA   LYS  27           HA       LYS  27   0.701  -9.951   1.042
  179   1HB   LYS  27           HB1      LYS  27   2.311  -9.668   2.671
  180   2HB   LYS  27           HB2      LYS  27   1.131  -9.211   3.948
  181   1HG   LYS  27           HG1      LYS  27   2.147 -11.421   4.378
  182   2HG   LYS  27           HG2      LYS  27   0.390 -11.538   4.142
  183   1HD   LYS  27           HD1      LYS  27   1.375 -12.006   1.541
  184   2HD   LYS  27           HD2      LYS  27   2.637 -12.750   2.569
  185   1HE   LYS  27           HE1      LYS  27   0.857 -14.105   3.747
  186   2HE   LYS  27           HE2      LYS  27  -0.406 -13.283   2.753
  187   1HZ   LYS  27           HZ1      LYS  27   0.154 -15.435   1.910
  188   2HZ   LYS  27           HZ2      LYS  27   0.586 -14.224   0.800
  189   3HZ   LYS  27           HZ3      LYS  27   1.784 -14.994   1.725
  190    H    ARG  28           HN       ARG  28  -1.852  -8.444   2.942
  191    HA   ARG  28           HA       ARG  28  -3.570 -10.756   2.838
  192   1HB   ARG  28           HB1      ARG  28  -3.581  -8.062   4.121
  193   2HB   ARG  28           HB2      ARG  28  -5.174  -8.476   3.460
  194   1HG   ARG  28           HG1      ARG  28  -5.111  -9.116   5.742
  195   2HG   ARG  28           HG2      ARG  28  -5.258 -10.576   4.716
  196   1HD   ARG  28           HD1      ARG  28  -3.178 -11.450   5.387
  197   2HD   ARG  28           HD2      ARG  28  -2.413  -9.824   5.520
  198    HE   ARG  28           HE       ARG  28  -3.441  -9.474   7.644
  199   1HH1  ARG  28          HH21      ARG  28  -5.542 -12.896   7.860
  200   2HH1  ARG  28          HH22      ARG  28  -4.586 -12.623   6.440
  201   1HH2  ARG  28          HH11      ARG  28  -5.484 -11.373   9.642
  202   2HH2  ARG  28          HH12      ARG  28  -4.483  -9.963   9.551
  203    H    ALA  29           HN       ALA  29  -3.156  -7.673   1.262
  204    HA   ALA  29           HA       ALA  29  -5.467  -7.633  -0.251
  205   1HB   ALA  29           HB1      ALA  29  -4.393  -5.668  -1.416
  206   2HB   ALA  29           HB2      ALA  29  -4.132  -5.596   0.355
  207   3HB   ALA  29           HB3      ALA  29  -2.803  -6.171  -0.705
  208    H    VAL  30           HN       VAL  30  -2.612  -9.378  -0.874
  209    HA   VAL  30           HA       VAL  30  -2.829  -9.299  -3.754
  210    HB   VAL  30           HB       VAL  30  -0.860 -10.490  -1.801
  211   1HG1  VAL  30          HG21      VAL  30  -0.824 -10.819  -4.856
  212   2HG1  VAL  30          HG22      VAL  30   0.576 -11.163  -3.764
  213   3HG1  VAL  30          HG23      VAL  30  -0.945 -12.128  -3.606
  214   1HG2  VAL  30          HG11      VAL  30  -0.217  -8.511  -4.059
  215   2HG2  VAL  30          HG12      VAL  30  -0.850  -7.935  -2.495
  216   3HG2  VAL  30          HG13      VAL  30   0.683  -8.864  -2.530
  217    H    GLU  31           HN       GLU  31  -2.740 -11.924  -1.366
  218    HA   GLU  31           HA       GLU  31  -4.698 -13.423  -2.939
  219   1HB   GLU  31           HB1      GLU  31  -3.304 -15.461  -3.058
  220   2HB   GLU  31           HB2      GLU  31  -2.620 -14.095  -3.977
  221   1HG   GLU  31           HG1      GLU  31  -1.091 -13.576  -1.984
  222   2HG   GLU  31           HG2      GLU  31  -1.676 -15.071  -1.198
  223    H    GLY  32           HN       GLY  32  -4.913 -12.064  -0.546
  224   1HA   GLY  32           HA1      GLY  32  -5.600 -14.337   1.257
  225   2HA   GLY  32           HA2      GLY  32  -4.647 -12.899   1.805
  226    H    GLN  33           HN       GLN  33  -7.477 -12.973  -0.348
  227    HA   GLN  33           HA       GLN  33  -9.368 -12.120  -0.389
  228   1HB   GLN  33           HB1      GLN  33 -10.971 -11.920   1.283
  229   2HB   GLN  33           HB2      GLN  33 -10.107 -13.458   1.470
  230   1HG   GLN  33           HG1      GLN  33  -9.209 -12.940   3.547
  231   2HG   GLN  33           HG2      GLN  33  -9.051 -11.192   3.210
  232   1HE2  GLN  33          HE21      GLN  33 -11.151  -9.929   2.942
  233   2HE2  GLN  33          HE22      GLN  33 -12.432 -10.281   4.058
  234    H    HIS  34           HN       HIS  34  -9.941 -10.186  -1.158
  235    HA   HIS  34           HA       HIS  34  -8.976  -7.798   0.226
  236   1HB   HIS  34           HB1      HIS  34  -8.448  -7.203  -2.493
  237   2HB   HIS  34           HB2      HIS  34  -7.307  -7.485  -1.168
  238    HD2  HIS  34           HD2      HIS  34  -6.481 -10.166  -0.776
  239    HE1  HIS  34           HE1      HIS  34  -7.510 -11.385  -4.706
  240    HE2  HIS  34           HE2      HIS  34  -6.259 -12.036  -2.575
  241    H    ASN  35           HN       ASN  35 -10.491  -6.164   0.108
  242    HA   ASN  35           HA       ASN  35 -12.188  -5.856  -2.105
  243   1HB   ASN  35           HB1      ASN  35 -13.422  -7.765  -0.814
  244   2HB   ASN  35           HB2      ASN  35 -13.688  -6.612   0.510
  245   1HD2  ASN  35          HD21      ASN  35 -16.283  -4.797  -1.249
  246   2HD2  ASN  35          HD22      ASN  35 -15.173  -4.768   0.079
  247    H    TYR  36           HN       TYR  36 -11.210  -3.811  -2.129
  248    HA   TYR  36           HA       TYR  36 -12.040  -2.028   0.007
  249   1HB   TYR  36           HB1      TYR  36  -9.479  -1.308  -1.422
  250   2HB   TYR  36           HB2      TYR  36 -10.046  -0.908   0.218
  251    HD1  TYR  36           HD1      TYR  36  -9.936  -2.771   1.972
  252    HD2  TYR  36           HD2      TYR  36  -8.103  -3.179  -1.899
  253    HE1  TYR  36           HE1      TYR  36  -8.492  -4.561   2.847
  254    HE2  TYR  36           HE2      TYR  36  -6.655  -4.963  -1.028
  255    HH   TYR  36           HH       TYR  36  -6.850  -6.015   2.420
  256    H    LEU  37           HN       LEU  37 -10.340  -1.300  -3.021
  257    HA   LEU  37           HA       LEU  37 -10.854  -0.435  -4.902
  258   1HB   LEU  37           HB1      LEU  37 -13.788  -1.238  -4.513
  259   2HB   LEU  37           HB2      LEU  37 -13.097  -0.527  -5.991
  260    HG   LEU  37           HG       LEU  37 -13.396  -2.843  -6.328
  261   1HD1  LEU  37          HD11      LEU  37 -11.161  -3.596  -7.053
  262   2HD1  LEU  37          HD12      LEU  37 -11.392  -1.842  -7.396
  263   3HD1  LEU  37          HD13      LEU  37 -10.368  -2.367  -6.004
  264   1HD2  LEU  37          HD21      LEU  37 -12.498  -4.692  -5.092
  265   2HD2  LEU  37          HD22      LEU  37 -11.528  -3.629  -4.024
  266   3HD2  LEU  37          HD23      LEU  37 -13.333  -3.617  -3.914
  267    H    CYS  38           HN       CYS  38 -10.850   1.738  -5.451
  268    HA   CYS  38           HA       CYS  38 -11.894   3.535  -3.524
  269   1HB   CYS  38           HB1      CYS  38  -9.620   3.749  -4.672
  270   2HB   CYS  38           HB2      CYS  38 -10.495   4.268  -6.144
  271    H    ALA  39           HN       ALA  39 -13.798   4.155  -3.508
  272    HA   ALA  39           HA       ALA  39 -15.756   3.632  -5.448
  273   1HB   ALA  39           HB1      ALA  39 -17.283   4.658  -3.719
  274   2HB   ALA  39           HB2      ALA  39 -16.137   3.482  -2.979
  275   3HB   ALA  39           HB3      ALA  39 -15.808   5.247  -2.842
  276    H    GLY  40           HN       GLY  40 -13.531   6.072  -5.142
  277   1HA   GLY  40           HA1      GLY  40 -15.167   8.325  -6.004
  278   2HA   GLY  40           HA2      GLY  40 -13.390   8.253  -5.682
  279    H    ARG  41           HN       ARG  41 -12.027   8.117  -7.375
  280    HA   ARG  41           HA       ARG  41 -13.060   7.226  -9.990
  281   1HB   ARG  41           HB1      ARG  41 -11.107   9.552  -9.492
  282   2HB   ARG  41           HB2      ARG  41 -11.666   8.970 -11.088
  283   1HG   ARG  41           HG1      ARG  41 -13.450  10.264  -8.922
  284   2HG   ARG  41           HG2      ARG  41 -12.722  11.107 -10.317
  285   1HD   ARG  41           HD1      ARG  41 -14.063   9.730 -11.927
  286   2HD   ARG  41           HD2      ARG  41 -14.736   8.764 -10.562
  287    HE   ARG  41           HE       ARG  41 -15.895  10.701  -9.745
  288   1HH1  ARG  41          HH21      ARG  41 -14.626  13.328 -12.521
  289   2HH1  ARG  41          HH22      ARG  41 -14.044  11.699 -12.622
  290   1HH2  ARG  41          HH11      ARG  41 -16.200  13.927 -10.898
  291   2HH2  ARG  41          HH12      ARG  41 -16.801  12.747  -9.781
  292    H    ASN  42           HN       ASN  42 -10.463   7.775  -7.806
  293    HA   ASN  42           HA       ASN  42  -8.756   6.375  -7.225
  294   1HB   ASN  42           HB1      ASN  42  -9.051   4.524  -8.950
  295   2HB   ASN  42           HB2      ASN  42  -8.418   5.616 -10.217
  296   1HD2  ASN  42          HD21      ASN  42  -5.027   4.839  -9.528
  297   2HD2  ASN  42          HD22      ASN  42  -6.198   5.602 -10.553
  298    H    ASP  43           HN       ASP  43  -8.589   8.636  -6.722
  299    HA   ASP  43           HA       ASP  43  -7.188  10.349  -8.653
  300   1HB   ASP  43           HB1      ASP  43  -8.135  12.172  -6.858
  301   2HB   ASP  43           HB2      ASP  43  -9.044  11.656  -8.306
  302    H    CYS  44           HN       CYS  44  -7.750   9.631  -5.167
  303    HA   CYS  44           HA       CYS  44  -5.905  11.237  -4.245
  304   1HB   CYS  44           HB1      CYS  44  -6.175   9.310  -2.171
  305   2HB   CYS  44           HB2      CYS  44  -7.140  10.754  -2.490
  306    H    ILE  45           HN       ILE  45  -3.777  11.154  -3.650
  307    HA   ILE  45           HA       ILE  45  -2.199   9.377  -5.083
  308    HB   ILE  45           HB       ILE  45  -2.012  11.926  -4.656
  309   1HG1  ILE  45          HG11      ILE  45  -0.558  10.798  -6.173
  310   2HG1  ILE  45          HG12      ILE  45   0.268  12.097  -5.271
  311   1HG2  ILE  45          HG21      ILE  45  -0.482  12.750  -2.955
  312   2HG2  ILE  45          HG22      ILE  45  -1.874  11.908  -2.191
  313   3HG2  ILE  45          HG23      ILE  45  -0.263  11.104  -2.262
  314   1HD1  ILE  45           HD1      ILE  45   1.839  10.261  -5.499
  315   2HD1  ILE  45           HD2      ILE  45   1.335  10.281  -3.771
  316   3HD1  ILE  45           HD3      ILE  45   0.652   9.057  -4.912
  317    H    ILE  46           HN       ILE  46  -3.005   9.761  -1.954
  318    HA   ILE  46           HA       ILE  46  -2.921   8.602  -0.090
  319    HB   ILE  46           HB       ILE  46  -2.482   6.493  -2.028
  320   1HG1  ILE  46          HG11      ILE  46  -4.067   5.257  -0.780
  321   2HG1  ILE  46          HG12      ILE  46  -3.806   6.216   0.722
  322   1HG2  ILE  46          HG21      ILE  46  -1.751   4.676  -0.613
  323   2HG2  ILE  46          HG22      ILE  46  -0.431   5.843  -0.925
  324   3HG2  ILE  46          HG23      ILE  46  -1.221   5.809   0.698
  325   1HD1  ILE  46           HD1      ILE  46  -5.946   6.680  -0.432
  326   2HD1  ILE  46           HD2      ILE  46  -4.933   8.167  -0.370
  327   3HD1  ILE  46           HD3      ILE  46  -5.047   7.215  -1.911
  328    H    ASP  47           HN       ASP  47  -1.867   9.370   1.496
  329    HA   ASP  47           HA       ASP  47   0.916   8.868   1.773
  330   1HB   ASP  47           HB1      ASP  47   1.711  11.106   2.164
  331   2HB   ASP  47           HB2      ASP  47   1.197  10.870   0.486
  332    H    LYS  48           HN       LYS  48   1.261  10.388   4.062
  333    HA   LYS  48           HA       LYS  48  -0.040   8.810   5.899
  334   1HB   LYS  48           HB1      LYS  48   1.141  10.413   7.608
  335   2HB   LYS  48           HB2      LYS  48   2.018   9.262   6.579
  336   1HG   LYS  48           HG1      LYS  48   3.291  11.260   6.594
  337   2HG   LYS  48           HG2      LYS  48   2.615  11.082   4.961
  338   1HD   LYS  48           HD1      LYS  48   2.545  13.407   5.596
  339   2HD   LYS  48           HD2      LYS  48   0.861  12.818   5.513
  340   1HE   LYS  48           HE1      LYS  48   0.743  12.705   8.019
  341   2HE   LYS  48           HE2      LYS  48   2.504  13.087   8.141
  342   1HZ   LYS  48           HZ1      LYS  48   2.053  15.197   7.109
  343   2HZ   LYS  48           HZ2      LYS  48   0.392  14.844   7.051
  344   3HZ   LYS  48           HZ3      LYS  48   1.180  14.984   8.550
  345    H    ILE  49           HN       ILE  49  -1.475  11.355   4.436
  346    HA   ILE  49           HA       ILE  49  -3.285  11.922   6.690
  347    HB   ILE  49           HB       ILE  49  -2.403  13.615   4.310
  348   1HG1  ILE  49          HG11      ILE  49  -0.917  13.808   6.214
  349   2HG1  ILE  49          HG12      ILE  49  -1.786  15.336   5.931
  350   1HG2  ILE  49          HG21      ILE  49  -4.036  15.402   4.973
  351   2HG2  ILE  49          HG22      ILE  49  -4.792  13.901   4.329
  352   3HG2  ILE  49          HG23      ILE  49  -4.823  14.226   6.104
  353   1HD1  ILE  49           HD1      ILE  49  -2.385  13.294   8.182
  354   2HD1  ILE  49           HD2      ILE  49  -1.615  14.909   8.354
  355   3HD1  ILE  49           HD3      ILE  49  -3.343  14.790   7.869
  356    H    ARG  50           HN       ARG  50  -2.980  11.436   3.244
  357    HA   ARG  50           HA       ARG  50  -5.755  11.152   2.731
  358   1HB   ARG  50           HB1      ARG  50  -3.451  10.411   0.872
  359   2HB   ARG  50           HB2      ARG  50  -5.139  10.766   0.399
  360   1HG   ARG  50           HG1      ARG  50  -3.055  12.712   1.578
  361   2HG   ARG  50           HG2      ARG  50  -3.608  12.653  -0.111
  362   1HD   ARG  50           HD1      ARG  50  -5.443  13.343   2.295
  363   2HD   ARG  50           HD2      ARG  50  -4.582  14.567   1.277
  364    HE   ARG  50           HE       ARG  50  -5.811  13.516  -0.689
  365   1HH1  ARG  50          HH21      ARG  50  -8.638  14.994   1.772
  366   2HH1  ARG  50          HH22      ARG  50  -7.214  14.313   2.486
  367   1HH2  ARG  50          HH11      ARG  50  -8.957  14.913  -0.543
  368   2HH2  ARG  50          HH12      ARG  50  -7.773  14.172  -1.568
  369    H    ARG  51           HN       ARG  51  -3.769   9.095   4.229
  370    HA   ARG  51           HA       ARG  51  -4.263   6.556   3.234
  371   1HB   ARG  51           HB1      ARG  51  -2.412   7.113   4.756
  372   2HB   ARG  51           HB2      ARG  51  -3.548   7.562   6.051
  373   1HG   ARG  51           HG1      ARG  51  -4.171   5.200   6.389
  374   2HG   ARG  51           HG2      ARG  51  -3.349   4.720   4.877
  375   1HD   ARG  51           HD1      ARG  51  -1.958   4.060   6.806
  376   2HD   ARG  51           HD2      ARG  51  -1.124   5.358   5.854
  377    HE   ARG  51           HE       ARG  51  -2.757   5.967   8.306
  378   1HH1  ARG  51          HH21      ARG  51   1.258   5.892   8.567
  379   2HH1  ARG  51          HH22      ARG  51   0.538   5.497   7.042
  380   1HH2  ARG  51          HH11      ARG  51  -0.073   6.585  10.364
  381   2HH2  ARG  51          HH12      ARG  51  -1.791   6.712  10.183
  382    H    LYS  52           HN       LYS  52  -6.213   8.707   5.213
  383    HA   LYS  52           HA       LYS  52  -7.982   6.666   6.175
  384   1HB   LYS  52           HB1      LYS  52  -7.902   9.684   6.684
  385   2HB   LYS  52           HB2      LYS  52  -8.926   8.504   7.561
  386   1HG   LYS  52           HG1      LYS  52  -5.844   8.683   7.622
  387   2HG   LYS  52           HG2      LYS  52  -6.971   9.208   8.895
  388   1HD   LYS  52           HD1      LYS  52  -6.487   6.307   7.958
  389   2HD   LYS  52           HD2      LYS  52  -5.897   7.051   9.465
  390   1HE   LYS  52           HE1      LYS  52  -8.869   6.501   8.757
  391   2HE   LYS  52           HE2      LYS  52  -7.850   5.583   9.923
  392   1HZ   LYS  52           HZ1      LYS  52  -9.279   7.127  11.002
  393   2HZ   LYS  52           HZ2      LYS  52  -7.653   7.566  11.240
  394   3HZ   LYS  52           HZ3      LYS  52  -8.615   8.432  10.139
  395    H    ASN  53           HN       ASN  53  -7.803   7.527   3.266
  396    HA   ASN  53           HA       ASN  53 -10.477   8.599   2.825
  397   1HB   ASN  53           HB1      ASN  53  -8.116   8.246   0.853
  398   2HB   ASN  53           HB2      ASN  53  -9.749   8.813   0.390
  399   1HD2  ASN  53          HD21      ASN  53  -7.695  11.822   0.574
  400   2HD2  ASN  53          HD22      ASN  53  -7.835  10.385  -0.380
  401    H    CYS  54           HN       CYS  54  -8.143   5.996   1.997
  402    HA   CYS  54           HA       CYS  54 -10.196   4.059   1.735
  403   1HB   CYS  54           HB1      CYS  54  -9.541   3.510  -0.740
  404   2HB   CYS  54           HB2      CYS  54 -10.637   4.897  -0.479
  405    HA   PRO  55           HA       PRO  55  -6.198   1.814   1.771
  406   1HB   PRO  55           HB1      PRO  55  -7.043  -0.571   2.720
  407   2HB   PRO  55           HB2      PRO  55  -7.126   0.849   3.731
  408   1HG   PRO  55           HG1      PRO  55  -9.383  -0.441   2.218
  409   2HG   PRO  55           HG2      PRO  55  -9.387   0.196   3.850
  410   1HD   PRO  55           HD1      PRO  55 -10.223   1.595   1.518
  411   2HD   PRO  55           HD2      PRO  55  -9.857   2.343   3.079
  412    H    ALA  56           HN       ALA  56  -7.541   2.378  -0.771
  413    HA   ALA  56           HA       ALA  56  -7.579  -0.192  -2.137
  414   1HB   ALA  56           HB1      ALA  56  -9.111   0.829  -3.742
  415   2HB   ALA  56           HB2      ALA  56  -9.797   0.882  -2.070
  416   3HB   ALA  56           HB3      ALA  56  -9.109   2.377  -2.795
  417    H    CYS  57           HN       CYS  57  -7.000   3.407  -2.570
  418    HA   CYS  57           HA       CYS  57  -5.398   3.218  -4.767
  419   1HB   CYS  57           HB1      CYS  57  -5.636   5.265  -2.556
  420   2HB   CYS  57           HB2      CYS  57  -4.507   5.515  -3.876
  421    H    ARG  58           HN       ARG  58  -4.566   2.900  -1.412
  422    HA   ARG  58           HA       ARG  58  -1.861   3.016  -1.522
  423   1HB   ARG  58           HB1      ARG  58  -3.473   1.039   0.227
  424   2HB   ARG  58           HB2      ARG  58  -1.785   1.576   0.524
  425   1HG   ARG  58           HG1      ARG  58  -3.228   3.964   0.446
  426   2HG   ARG  58           HG2      ARG  58  -4.409   2.871   1.160
  427   1HD   ARG  58           HD1      ARG  58  -1.506   3.373   2.144
  428   2HD   ARG  58           HD2      ARG  58  -2.984   4.088   2.884
  429    HE   ARG  58           HE       ARG  58  -2.159   1.192   2.893
  430   1HH1  ARG  58          HH21      ARG  58  -5.658   2.206   4.604
  431   2HH1  ARG  58          HH22      ARG  58  -4.744   3.457   3.830
  432   1HH2  ARG  58          HH11      ARG  58  -4.789   0.040   4.787
  433   2HH2  ARG  58          HH12      ARG  58  -3.226  -0.332   4.141
  434    H    TYR  59           HN       TYR  59  -4.025   0.367  -2.514
  435    HA   TYR  59           HA       TYR  59  -1.977  -1.630  -2.605
  436   1HB   TYR  59           HB1      TYR  59  -4.385  -2.177  -2.179
  437   2HB   TYR  59           HB2      TYR  59  -4.809  -1.578  -3.804
  438    HD1  TYR  59           HD2      TYR  59  -2.179  -4.011  -2.433
  439    HD2  TYR  59           HD1      TYR  59  -5.258  -3.225  -5.337
  440    HE1  TYR  59           HE2      TYR  59  -1.815  -6.256  -3.447
  441    HE2  TYR  59           HE1      TYR  59  -4.895  -5.448  -6.326
  442    HH   TYR  59           HH       TYR  59  -2.459  -7.726  -4.999
  443    H    ARG  60           HN       ARG  60  -3.646   0.593  -4.848
  444    HA   ARG  60           HA       ARG  60  -2.433  -0.190  -7.214
  445   1HB   ARG  60           HB1      ARG  60  -3.633   2.506  -6.382
  446   2HB   ARG  60           HB2      ARG  60  -3.132   2.146  -8.049
  447   1HG   ARG  60           HG1      ARG  60  -5.213   0.398  -6.601
  448   2HG   ARG  60           HG2      ARG  60  -5.633   1.956  -7.370
  449   1HD   ARG  60           HD1      ARG  60  -4.724   1.150  -9.578
  450   2HD   ARG  60           HD2      ARG  60  -4.388  -0.474  -8.831
  451    HE   ARG  60           HE       ARG  60  -7.119   0.794  -8.813
  452   1HH1  ARG  60          HH21      ARG  60  -6.316  -2.024 -11.561
  453   2HH1  ARG  60          HH22      ARG  60  -5.026  -1.518 -10.523
  454   1HH2  ARG  60          HH11      ARG  60  -8.485  -1.204 -11.249
  455   2HH2  ARG  60          HH12      ARG  60  -8.822  -0.080  -9.975
  456    H    LYS  61           HN       LYS  61  -1.519   2.170  -4.761
  457    HA   LYS  61           HA       LYS  61   0.462   3.450  -6.146
  458   1HB   LYS  61           HB1      LYS  61  -0.919   4.402  -4.315
  459   2HB   LYS  61           HB2      LYS  61  -0.225   3.230  -3.173
  460   1HG   LYS  61           HG1      LYS  61   0.731   5.301  -2.712
  461   2HG   LYS  61           HG2      LYS  61   2.043   4.373  -3.494
  462   1HD   LYS  61           HD1      LYS  61   0.262   6.387  -5.014
  463   2HD   LYS  61           HD2      LYS  61   1.688   6.903  -4.067
  464   1HE   LYS  61           HE1      LYS  61   3.181   5.412  -5.492
  465   2HE   LYS  61           HE2      LYS  61   1.759   5.021  -6.532
  466   1HZ   LYS  61           HZ1      LYS  61   3.069   6.777  -7.415
  467   2HZ   LYS  61           HZ2      LYS  61   1.519   7.336  -7.002
  468   3HZ   LYS  61           HZ3      LYS  61   2.848   7.717  -6.017
  469    H    CYS  62           HN       CYS  62   0.675   1.024  -3.601
  470    HA   CYS  62           HA       CYS  62   3.426   0.828  -3.575
  471   1HB   CYS  62           HB1      CYS  62   3.228  -0.926  -2.032
  472   2HB   CYS  62           HB2      CYS  62   1.895   0.175  -1.737
  473    HG1  CYS  62           HG1      CYS  62   1.693  -2.649  -3.433
  474    H    LEU  63           HN       LEU  63   1.037  -0.891  -5.540
  475    HA   LEU  63           HA       LEU  63   2.771  -2.703  -6.744
  476   1HB   LEU  63           HB1      LEU  63   0.045  -1.576  -7.517
  477   2HB   LEU  63           HB2      LEU  63   0.907  -2.652  -8.653
  478    HG   LEU  63           HG       LEU  63   0.213  -3.449  -5.771
  479   1HD1  LEU  63          HD11      LEU  63  -1.601  -4.833  -6.777
  480   2HD1  LEU  63          HD12      LEU  63  -1.871  -3.079  -7.076
  481   3HD1  LEU  63          HD13      LEU  63  -1.255  -4.135  -8.399
  482   1HD2  LEU  63          HD21      LEU  63   0.678  -5.786  -6.612
  483   2HD2  LEU  63          HD22      LEU  63   1.260  -5.094  -8.168
  484   3HD2  LEU  63          HD23      LEU  63   2.137  -4.739  -6.634
  485    H    GLN  64           HN       GLN  64   1.900   0.668  -7.486
  486    HA   GLN  64           HA       GLN  64   3.064   0.862  -9.967
  487   1HB   GLN  64           HB1      GLN  64   1.499   2.479  -8.407
  488   2HB   GLN  64           HB2      GLN  64   3.026   3.332  -8.188
  489   1HG   GLN  64           HG1      GLN  64   1.669   2.658 -10.903
  490   2HG   GLN  64           HG2      GLN  64   1.534   4.218 -10.036
  491   1HE2  GLN  64          HE21      GLN  64   3.200   2.671 -12.524
  492   2HE2  GLN  64          HE22      GLN  64   4.614   3.670 -12.598
  493    H    ALA  65           HN       ALA  65   4.252   1.272  -6.741
  494    HA   ALA  65           HA       ALA  65   6.777   2.271  -7.256
  495   1HB   ALA  65           HB1      ALA  65   7.318   1.874  -4.919
  496   2HB   ALA  65           HB2      ALA  65   5.652   2.522  -5.061
  497   3HB   ALA  65           HB3      ALA  65   5.887   0.778  -4.741
  498    H    GLY  66           HN       GLY  66   5.623  -1.005  -6.981
  499   1HA   GLY  66           HA1      GLY  66   6.645  -2.502  -8.542
  500   2HA   GLY  66           HA2      GLY  66   8.253  -2.016  -7.904
  501    H    MET  67           HN       MET  67   5.476  -2.469  -5.755
  502    HA   MET  67           HA       MET  67   6.827  -4.284  -4.126
  503   1HB   MET  67           HB1      MET  67   3.885  -3.547  -4.296
  504   2HB   MET  67           HB2      MET  67   4.402  -4.843  -3.187
  505   1HG   MET  67           HG1      MET  67   5.514  -1.984  -3.061
  506   2HG   MET  67           HG2      MET  67   4.132  -2.631  -2.123
  507   1HE   MET  67           HE1      MET  67   4.140  -3.721   0.039
  508   2HE   MET  67           HE2      MET  67   5.481  -4.667   0.759
  509   3HE   MET  67           HE3      MET  67   4.623  -5.310  -0.684
  510    H    ASN  68           HN       ASN  68   6.554  -6.655  -3.757
  511    HA   ASN  68           HA       ASN  68   4.762  -8.062  -5.441
  512   1HB   ASN  68           HB1      ASN  68   6.846  -7.542  -7.024
  513   2HB   ASN  68           HB2      ASN  68   7.720  -8.709  -6.083
  514   1HD2  ASN  68          HD21      ASN  68   4.449 -10.473  -7.957
  515   2HD2  ASN  68          HD22      ASN  68   4.221  -9.048  -6.996
  516    H    LEU  69           HN       LEU  69   4.129  -9.662  -4.320
  517    HA   LEU  69           HA       LEU  69   5.503 -10.405  -1.897
  518   1HB   LEU  69           HB1      LEU  69   3.277  -9.934  -1.499
  519   2HB   LEU  69           HB2      LEU  69   2.721 -10.784  -2.989
  520    HG   LEU  69           HG       LEU  69   3.359 -13.007  -1.877
  521   1HD1  LEU  69          HD11      LEU  69   3.676 -13.096   0.562
  522   2HD1  LEU  69          HD12      LEU  69   4.979 -12.123  -0.198
  523   3HD1  LEU  69          HD13      LEU  69   3.626 -11.293   0.665
  524   1HD2  LEU  69          HD21      LEU  69   1.337 -13.086  -0.422
  525   2HD2  LEU  69          HD22      LEU  69   1.181 -11.291  -0.564
  526   3HD2  LEU  69          HD23      LEU  69   1.041 -12.340  -2.018
  527    H    GLU  70           HN       GLU  70   7.220 -11.360  -2.572
  528    HA   GLU  70           HA       GLU  70   8.457 -13.182  -2.766
  529   1HB   GLU  70           HB1      GLU  70   6.598 -14.341  -4.895
  530   2HB   GLU  70           HB2      GLU  70   8.199 -14.991  -4.410
  531   1HG   GLU  70           HG1      GLU  70   7.380 -15.439  -2.094
  532   2HG   GLU  70           HG2      GLU  70   5.789 -14.714  -2.473
  533    H    ALA  71           HN       ALA  71   9.325 -11.144  -3.212
  534    HA   ALA  71           HA       ALA  71   9.766 -10.398  -6.022
  535   1HB   ALA  71           HB1      ALA  71  10.537  -8.175  -5.051
  536   2HB   ALA  71           HB2      ALA  71   8.871  -8.511  -4.607
  537   3HB   ALA  71           HB3      ALA  71  10.146  -8.815  -3.403
  538    H    ARG  72           HN       ARG  72  12.176  -8.927  -5.392
  539    HA   ARG  72           HA       ARG  72  14.099 -11.113  -5.169
  540   1HB   ARG  72           HB1      ARG  72  14.396  -8.213  -6.135
  541   2HB   ARG  72           HB2      ARG  72  15.699  -9.448  -6.131
  542   1HG   ARG  72           HG1      ARG  72  14.413 -10.835  -7.759
  543   2HG   ARG  72           HG2      ARG  72  13.060  -9.658  -7.725
  544   1HD   ARG  72           HD1      ARG  72  14.563  -7.866  -8.659
  545   2HD   ARG  72           HD2      ARG  72  15.931  -9.059  -8.721
  546    HE   ARG  72           HE       ARG  72  13.312  -9.535 -10.131
  547   1HH1  ARG  72          HH21      ARG  72  16.482  -8.250 -12.248
  548   2HH1  ARG  72          HH22      ARG  72  16.670  -8.434 -10.536
  549   1HH2  ARG  72          HH11      ARG  72  13.179  -9.535 -12.370
  550   2HH2  ARG  72          HH12      ARG  72  14.488  -8.879 -13.295
   
  No H/Q in entry =         550
  Start of MODEL    3
    1   1H    LEU   1           HT1      LEU   1  12.246   6.211   4.893
    2   2H    LEU   1           HT2      LEU   1  11.874   4.614   4.451
    3   3H    LEU   1           HT3      LEU   1  12.067   5.803   3.254
    4    HA   LEU   1           HA       LEU   1  10.012   5.712   5.311
    5   1HB   LEU   1           HB1      LEU   1   8.951   7.662   4.200
    6   2HB   LEU   1           HB2      LEU   1  10.565   7.987   4.855
    7    HG   LEU   1           HG       LEU   1  11.402   7.519   2.358
    8   1HD1  LEU   1          HD11      LEU   1   9.788   8.380   0.635
    9   2HD1  LEU   1          HD12      LEU   1   9.251   6.821   1.330
   10   3HD1  LEU   1          HD13      LEU   1   8.469   8.354   1.860
   11   1HD2  LEU   1          HD21      LEU   1  11.673   9.644   3.600
   12   2HD2  LEU   1          HD22      LEU   1  11.241   9.940   1.879
   13   3HD2  LEU   1          HD23      LEU   1   9.993  10.135   3.166
   14    H    CYS   2           HN       CYS   2   7.864   5.203   4.628
   15    HA   CYS   2           HA       CYS   2   7.522   3.096   2.892
   16   1HB   CYS   2           HB1      CYS   2   6.161   3.408   4.959
   17   2HB   CYS   2           HB2      CYS   2   5.455   4.924   4.240
   18    H    LEU   3           HN       LEU   3   7.125   3.145   0.684
   19    HA   LEU   3           HA       LEU   3   7.036   5.806  -0.370
   20   1HB   LEU   3           HB1      LEU   3   7.651   3.065  -1.480
   21   2HB   LEU   3           HB2      LEU   3   7.578   4.465  -2.607
   22    HG   LEU   3           HG       LEU   3   9.435   4.364  -0.176
   23   1HD1  LEU   3          HD11      LEU   3  11.312   3.884  -1.763
   24   2HD1  LEU   3          HD12      LEU   3  10.100   2.558  -1.748
   25   3HD1  LEU   3          HD13      LEU   3  10.133   3.728  -3.119
   26   1HD2  LEU   3          HD21      LEU   3  10.627   6.257  -1.258
   27   2HD2  LEU   3          HD22      LEU   3   9.457   6.238  -2.630
   28   3HD2  LEU   3          HD23      LEU   3   8.903   6.678  -0.976
   29    H    VAL   4           HN       VAL   4   4.818   4.236   0.728
   30    HA   VAL   4           HA       VAL   4   2.910   4.297  -1.504
   31    HB   VAL   4           HB       VAL   4   2.579   2.642   1.028
   32   1HG1  VAL   4          HG21      VAL   4   1.151   2.478  -1.654
   33   2HG1  VAL   4          HG22      VAL   4   0.838   1.473  -0.176
   34   3HG1  VAL   4          HG23      VAL   4   0.519   3.246  -0.147
   35   1HG2  VAL   4          HG11      VAL   4   3.828   1.710  -1.583
   36   2HG2  VAL   4          HG12      VAL   4   4.608   1.869   0.033
   37   3HG2  VAL   4          HG13      VAL   4   3.304   0.657  -0.197
   38    H    CYS   5           HN       CYS   5   2.887   4.420   2.059
   39    HA   CYS   5           HA       CYS   5   0.845   6.554   1.815
   40   1HB   CYS   5           HB1      CYS   5  -0.158   6.016   3.860
   41   2HB   CYS   5           HB2      CYS   5  -0.118   4.585   2.832
   42    H    SER   6           HN       SER   6   3.846   6.559   1.750
   43    HA   SER   6           HA       SER   6   5.516   7.884   2.453
   44   1HB   SER   6           HB1      SER   6   3.439  10.016   2.508
   45   2HB   SER   6           HB2      SER   6   5.139  10.149   1.898
   46    HG   SER   6           HG1      SER   6   2.976   8.579   0.885
   47    H    ASP   7           HN       ASP   7   5.206   6.576   4.577
   48    HA   ASP   7           HA       ASP   7   5.143   8.444   6.893
   49   1HB   ASP   7           HB1      ASP   7   3.144   6.821   6.545
   50   2HB   ASP   7           HB2      ASP   7   4.283   5.467   6.611
   51    H    GLU   8           HN       GLU   8   6.701   7.528   8.673
   52    HA   GLU   8           HA       GLU   8   9.116   6.797   7.549
   53   1HB   GLU   8           HB1      GLU   8   8.759   6.335  10.487
   54   2HB   GLU   8           HB2      GLU   8  10.150   6.991   9.591
   55   1HG   GLU   8           HG1      GLU   8   7.445   8.430  10.168
   56   2HG   GLU   8           HG2      GLU   8   8.969   8.663  11.071
   57    H    ALA   9           HN       ALA   9   9.813   4.893   6.775
   58    HA   ALA   9           HA       ALA   9   8.260   2.550   7.216
   59   1HB   ALA   9           HB1      ALA   9  10.146   1.601   5.515
   60   2HB   ALA   9           HB2      ALA   9   8.843   2.661   4.939
   61   3HB   ALA   9           HB3      ALA   9  10.492   3.330   5.322
   62    H    SER  10           HN       SER  10   9.256   0.430   7.415
   63    HA   SER  10           HA       SER  10  11.081   0.332   9.666
   64   1HB   SER  10           HB1      SER  10   8.844  -0.861   9.759
   65   2HB   SER  10           HB2      SER  10   9.356  -1.883   8.382
   66    HG   SER  10           HG1      SER  10   9.688  -2.829  10.420
   67    H    GLY  11           HN       GLY  11  10.554  -0.830   6.290
   68   1HA   GLY  11           HA1      GLY  11  13.040  -0.611   5.348
   69   2HA   GLY  11           HA2      GLY  11  12.995  -2.264   6.113
   70    H    CYS  12           HN       CYS  12  13.309  -2.787   3.631
   71    HA   CYS  12           HA       CYS  12  10.784  -2.733   2.186
   72   1HB   CYS  12           HB1      CYS  12  12.064  -3.871   0.335
   73   2HB   CYS  12           HB2      CYS  12  12.616  -2.233   0.752
   74    HG1  CYS  12           HG1      CYS  12  14.605  -2.981   2.308
   75    H    HIS  13           HN       HIS  13   9.592  -4.719   1.663
   76    HA   HIS  13           HA       HIS  13  10.447  -6.989   3.404
   77   1HB   HIS  13           HB1      HIS  13   7.606  -5.864   3.260
   78   2HB   HIS  13           HB2      HIS  13   8.164  -7.303   4.185
   79    HD2  HIS  13           HD2      HIS  13   9.939  -6.721   6.418
   80    HE1  HIS  13           HE1      HIS  13   8.731  -2.670   6.588
   81    HE2  HIS  13           HE2      HIS  13   9.962  -4.557   7.798
   82    H    TYR  14           HN       TYR  14   8.840  -5.812   0.492
   83    HA   TYR  14           HA       TYR  14   8.833  -8.530  -0.553
   84   1HB   TYR  14           HB1      TYR  14   6.538  -6.488  -0.814
   85   2HB   TYR  14           HB2      TYR  14   6.602  -7.911  -1.758
   86    HD1  TYR  14           HD1      TYR  14   7.467 -10.163  -0.105
   87    HD2  TYR  14           HD2      TYR  14   4.708  -7.032   0.777
   88    HE1  TYR  14           HE1      TYR  14   6.580 -11.514   1.689
   89    HE2  TYR  14           HE2      TYR  14   3.799  -8.406   2.616
   90    HH   TYR  14           HH       TYR  14   3.886 -10.337   3.747
   91    H    GLY  15           HN       GLY  15   7.851  -5.929  -2.577
   92   1HA   GLY  15           HA1      GLY  15  10.549  -5.976  -3.712
   93   2HA   GLY  15           HA2      GLY  15   9.022  -5.385  -4.423
   94    H    VAL  16           HN       VAL  16   8.782  -3.738  -1.638
   95    HA   VAL  16           HA       VAL  16  10.595  -1.574  -2.522
   96    HB   VAL  16           HB       VAL  16   7.626  -1.275  -1.934
   97   1HG1  VAL  16          HG21      VAL  16   9.507   0.786  -3.166
   98   2HG1  VAL  16          HG22      VAL  16   7.704   0.879  -3.087
   99   3HG1  VAL  16          HG23      VAL  16   8.640   0.877  -1.566
  100   1HG2  VAL  16          HG11      VAL  16   8.931  -1.195  -4.735
  101   2HG2  VAL  16          HG12      VAL  16   7.949  -2.543  -4.079
  102   3HG2  VAL  16          HG13      VAL  16   7.183  -0.955  -4.343
  103    H    LEU  17           HN       LEU  17  10.841   0.025  -1.111
  104    HA   LEU  17           HA       LEU  17  11.106  -0.504   1.638
  105   1HB   LEU  17           HB1      LEU  17  12.629   0.982   0.263
  106   2HB   LEU  17           HB2      LEU  17  11.299   2.142   0.072
  107    HG   LEU  17           HG       LEU  17  11.291   2.452   2.612
  108   1HD1  LEU  17          HD11      LEU  17  13.293   1.764   3.913
  109   2HD1  LEU  17          HD12      LEU  17  12.377   0.346   3.299
  110   3HD1  LEU  17          HD13      LEU  17  13.914   0.835   2.496
  111   1HD2  LEU  17          HD21      LEU  17  13.305   3.929   2.625
  112   2HD2  LEU  17          HD22      LEU  17  13.906   3.136   1.124
  113   3HD2  LEU  17          HD23      LEU  17  12.376   4.087   1.090
  114    H    THR  18           HN       THR  18   9.156  -0.867   2.701
  115    HA   THR  18           HA       THR  18   7.040   1.185   2.477
  116    HB   THR  18           HB       THR  18   5.564  -1.032   3.153
  117    HG1  THR  18           HG1      THR  18   7.405  -2.293   3.513
  118   1HG2  THR  18          HG21      THR  18   5.171  -1.733   0.874
  119   2HG2  THR  18          HG22      THR  18   5.276   0.068   1.032
  120   3HG2  THR  18          HG23      THR  18   6.661  -0.871   0.306
  121    H    CYS  19           HN       CYS  19   5.449   0.778   4.322
  122    HA   CYS  19           HA       CYS  19   7.045   1.123   6.704
  123   1HB   CYS  19           HB1      CYS  19   5.179   1.797   7.994
  124   2HB   CYS  19           HB2      CYS  19   5.385   2.764   6.605
  125    H    GLY  20           HN       GLY  20   5.231   0.071   8.687
  126   1HA   GLY  20           HA1      GLY  20   5.994  -2.715   8.653
  127   2HA   GLY  20           HA2      GLY  20   5.106  -1.782   9.920
  128    H    SER  21           HN       SER  21   3.025  -0.742   8.538
  129    HA   SER  21           HA       SER  21   1.233  -2.889   8.382
  130   1HB   SER  21           HB1      SER  21   0.767   0.054   7.598
  131   2HB   SER  21           HB2      SER  21  -0.510  -1.169   7.931
  132    HG   SER  21           HG1      SER  21   1.503  -0.324   9.737
  133    H    CYS  22           HN       CYS  22   2.718  -0.926   5.698
  134    HA   CYS  22           HA       CYS  22   0.931  -1.830   3.782
  135   1HB   CYS  22           HB1      CYS  22   3.562  -0.424   3.411
  136   2HB   CYS  22           HB2      CYS  22   2.552  -0.968   2.028
  137    H    LYS  23           HN       LYS  23   3.616  -3.339   5.143
  138    HA   LYS  23           HA       LYS  23   4.253  -5.193   3.205
  139   1HB   LYS  23           HB1      LYS  23   5.675  -4.642   5.132
  140   2HB   LYS  23           HB2      LYS  23   4.479  -5.288   6.270
  141   1HG   LYS  23           HG1      LYS  23   5.884  -7.048   4.157
  142   2HG   LYS  23           HG2      LYS  23   6.578  -6.657   5.769
  143   1HD   LYS  23           HD1      LYS  23   4.299  -7.614   6.721
  144   2HD   LYS  23           HD2      LYS  23   4.169  -8.418   5.128
  145   1HE   LYS  23           HE1      LYS  23   6.478  -8.698   7.184
  146   2HE   LYS  23           HE2      LYS  23   5.229  -9.937   6.788
  147   1HZ   LYS  23           HZ1      LYS  23   7.289  -8.874   4.947
  148   2HZ   LYS  23           HZ2      LYS  23   7.309 -10.375   5.744
  149   3HZ   LYS  23           HZ3      LYS  23   6.119 -10.048   4.577
  150    H    VAL  24           HN       VAL  24   2.442  -5.587   6.160
  151    HA   VAL  24           HA       VAL  24   1.259  -8.014   5.695
  152    HB   VAL  24           HB       VAL  24   0.156  -5.737   7.474
  153   1HG1  VAL  24          HG21      VAL  24  -0.058  -8.781   7.928
  154   2HG1  VAL  24          HG22      VAL  24  -0.647  -7.472   9.033
  155   3HG1  VAL  24          HG23      VAL  24  -1.392  -7.685   7.410
  156   1HG2  VAL  24          HG11      VAL  24   2.420  -7.676   8.219
  157   2HG2  VAL  24          HG12      VAL  24   2.528  -5.886   7.984
  158   3HG2  VAL  24          HG13      VAL  24   1.575  -6.545   9.343
  159    H    PHE  25           HN       PHE  25   0.135  -4.851   4.961
  160    HA   PHE  25           HA       PHE  25  -2.511  -5.157   4.319
  161   1HB   PHE  25           HB1      PHE  25  -1.348  -2.963   4.544
  162   2HB   PHE  25           HB2      PHE  25  -0.257  -3.383   3.219
  163    HD1  PHE  25           HD1      PHE  25  -4.091  -3.380   3.498
  164    HD2  PHE  25           HD2      PHE  25  -0.532  -2.077   1.448
  165    HE1  PHE  25           HE1      PHE  25  -5.474  -2.359   1.714
  166    HE2  PHE  25           HE2      PHE  25  -1.889  -1.099  -0.311
  167    HZ   PHE  25           HZ       PHE  25  -4.373  -1.236  -0.215
  168    H    PHE  26           HN       PHE  26   0.341  -5.127   2.288
  169    HA   PHE  26           HA       PHE  26  -0.783  -5.764  -0.134
  170   1HB   PHE  26           HB1      PHE  26   1.351  -4.575   0.096
  171   2HB   PHE  26           HB2      PHE  26   2.117  -6.025   0.808
  172    HD1  PHE  26           HD2      PHE  26   0.398  -4.798  -2.343
  173    HD2  PHE  26           HD1      PHE  26   3.126  -7.611  -0.596
  174    HE1  PHE  26           HE2      PHE  26   1.179  -5.441  -4.594
  175    HE2  PHE  26           HE1      PHE  26   3.950  -8.198  -2.828
  176    HZ   PHE  26           HZ       PHE  26   2.971  -7.197  -4.835
  177    H    LYS  27           HN       LYS  27   0.760  -7.828   2.225
  178    HA   LYS  27           HA       LYS  27   0.583 -10.251   0.807
  179   1HB   LYS  27           HB1      LYS  27   2.269 -10.001   2.431
  180   2HB   LYS  27           HB2      LYS  27   1.098  -9.574   3.719
  181   1HG   LYS  27           HG1      LYS  27   1.933 -11.696   4.239
  182   2HG   LYS  27           HG2      LYS  27   0.284 -12.017   3.676
  183   1HD   LYS  27           HD1      LYS  27   2.714 -12.272   1.799
  184   2HD   LYS  27           HD2      LYS  27   2.365 -13.544   2.990
  185   1HE   LYS  27           HE1      LYS  27   0.429 -12.688   0.733
  186   2HE   LYS  27           HE2      LYS  27   1.477 -14.152   0.758
  187   1HZ   LYS  27           HZ1      LYS  27  -0.732 -14.659   1.384
  188   2HZ   LYS  27           HZ2      LYS  27   0.318 -14.903   2.697
  189   3HZ   LYS  27           HZ3      LYS  27  -0.694 -13.540   2.662
  190    H    ARG  28           HN       ARG  28  -1.842  -8.491   2.641
  191    HA   ARG  28           HA       ARG  28  -3.682 -10.717   2.746
  192   1HB   ARG  28           HB1      ARG  28  -3.396  -8.218   4.139
  193   2HB   ARG  28           HB2      ARG  28  -4.871  -8.018   3.202
  194   1HG   ARG  28           HG1      ARG  28  -5.788  -8.898   5.074
  195   2HG   ARG  28           HG2      ARG  28  -5.506 -10.437   4.207
  196   1HD   ARG  28           HD1      ARG  28  -3.382 -10.798   5.552
  197   2HD   ARG  28           HD2      ARG  28  -3.598  -9.164   6.310
  198    HE   ARG  28           HE       ARG  28  -5.664 -11.335   6.569
  199   1HH1  ARG  28          HH21      ARG  28  -3.260 -10.467   9.688
  200   2HH1  ARG  28          HH22      ARG  28  -3.043  -9.568   8.224
  201   1HH2  ARG  28          HH11      ARG  28  -4.985 -12.038   9.872
  202   2HH2  ARG  28          HH12      ARG  28  -6.062 -12.318   8.544
  203    H    ALA  29           HN       ALA  29  -3.164  -7.728   1.077
  204    HA   ALA  29           HA       ALA  29  -5.445  -7.575  -0.492
  205   1HB   ALA  29           HB1      ALA  29  -4.186  -5.662  -1.597
  206   2HB   ALA  29           HB2      ALA  29  -4.065  -5.610   0.186
  207   3HB   ALA  29           HB3      ALA  29  -2.689  -6.251  -0.778
  208    H    VAL  30           HN       VAL  30  -2.648  -9.476  -0.986
  209    HA   VAL  30           HA       VAL  30  -3.006  -9.571  -3.904
  210    HB   VAL  30           HB       VAL  30  -0.657 -10.332  -2.133
  211   1HG1  VAL  30          HG21      VAL  30  -0.897 -10.504  -5.198
  212   2HG1  VAL  30          HG22      VAL  30   0.602 -10.811  -4.224
  213   3HG1  VAL  30          HG23      VAL  30  -0.835 -11.896  -4.053
  214   1HG2  VAL  30          HG11      VAL  30  -0.613  -8.197  -4.344
  215   2HG2  VAL  30          HG12      VAL  30  -1.041  -7.792  -2.654
  216   3HG2  VAL  30          HG13      VAL  30   0.559  -8.510  -3.007
  217    H    GLU  31           HN       GLU  31  -1.860 -11.849  -1.471
  218    HA   GLU  31           HA       GLU  31  -3.536 -13.971  -2.661
  219   1HB   GLU  31           HB1      GLU  31  -0.927 -14.102  -1.086
  220   2HB   GLU  31           HB2      GLU  31  -1.973 -15.541  -1.341
  221   1HG   GLU  31           HG1      GLU  31  -1.780 -15.328  -3.813
  222   2HG   GLU  31           HG2      GLU  31  -0.756 -13.872  -3.632
  223    H    GLY  32           HN       GLY  32  -5.110 -12.506  -1.465
  224   1HA   GLY  32           HA1      GLY  32  -6.042 -14.113   0.721
  225   2HA   GLY  32           HA2      GLY  32  -5.486 -12.469   1.238
  226    H    GLN  33           HN       GLN  33  -7.571 -11.850   1.887
  227    HA   GLN  33           HA       GLN  33  -9.613 -11.580  -0.199
  228   1HB   GLN  33           HB1      GLN  33  -9.751 -11.351   2.857
  229   2HB   GLN  33           HB2      GLN  33 -11.117 -10.942   1.780
  230   1HG   GLN  33           HG1      GLN  33  -9.800 -13.751   1.932
  231   2HG   GLN  33           HG2      GLN  33 -11.234 -13.241   2.872
  232   1HE2  GLN  33          HE21      GLN  33 -10.023 -13.808  -0.488
  233   2HE2  GLN  33          HE22      GLN  33 -11.581 -14.030  -1.211
  234    H    HIS  34           HN       HIS  34 -10.145  -9.689  -0.965
  235    HA   HIS  34           HA       HIS  34  -8.554  -7.353  -0.183
  236   1HB   HIS  34           HB1      HIS  34 -10.114  -7.931  -2.769
  237   2HB   HIS  34           HB2      HIS  34  -8.902  -6.639  -2.515
  238    HD2  HIS  34           HD2      HIS  34  -6.989  -9.684  -1.195
  239    HE1  HIS  34           HE1      HIS  34  -6.941 -10.120  -5.392
  240    HE2  HIS  34           HE2      HIS  34  -5.999 -10.941  -3.166
  241    H    ASN  35           HN       ASN  35  -9.702  -5.773   0.916
  242    HA   ASN  35           HA       ASN  35 -12.522  -5.356   0.261
  243   1HB   ASN  35           HB1      ASN  35 -11.474  -5.840   3.132
  244   2HB   ASN  35           HB2      ASN  35 -13.085  -5.143   2.747
  245   1HD2  ASN  35          HD21      ASN  35 -14.568  -8.237   1.647
  246   2HD2  ASN  35          HD22      ASN  35 -14.599  -6.521   1.415
  247    H    TYR  36           HN       TYR  36 -11.229  -3.574  -0.937
  248    HA   TYR  36           HA       TYR  36 -11.269  -1.255   0.754
  249   1HB   TYR  36           HB1      TYR  36  -9.130  -0.548  -0.711
  250   2HB   TYR  36           HB2      TYR  36  -8.881  -1.427   0.816
  251    HD1  TYR  36           HD2      TYR  36  -8.858  -1.813  -2.870
  252    HD2  TYR  36           HD1      TYR  36  -7.957  -3.653   0.915
  253    HE1  TYR  36           HE2      TYR  36  -7.602  -3.577  -4.032
  254    HE2  TYR  36           HE1      TYR  36  -6.702  -5.428  -0.251
  255    HH   TYR  36           HH       TYR  36  -6.033  -6.257  -2.248
  256    H    LEU  37           HN       LEU  37 -11.776   0.578  -0.746
  257    HA   LEU  37           HA       LEU  37 -12.093  -0.118  -3.513
  258   1HB   LEU  37           HB1      LEU  37 -14.425   0.314  -3.795
  259   2HB   LEU  37           HB2      LEU  37 -14.239  -1.027  -2.647
  260    HG   LEU  37           HG       LEU  37 -14.892   1.882  -1.851
  261   1HD1  LEU  37          HD11      LEU  37 -17.217   1.117  -1.494
  262   2HD1  LEU  37          HD12      LEU  37 -16.717   0.935  -3.209
  263   3HD1  LEU  37          HD13      LEU  37 -16.802  -0.514  -2.140
  264   1HD2  LEU  37          HD21      LEU  37 -15.612   0.869   0.348
  265   2HD2  LEU  37          HD22      LEU  37 -14.910  -0.707  -0.171
  266   3HD2  LEU  37          HD23      LEU  37 -13.851   0.737   0.059
  267    H    CYS  38           HN       CYS  38 -12.167   1.557  -4.878
  268    HA   CYS  38           HA       CYS  38 -12.694   4.164  -3.953
  269   1HB   CYS  38           HB1      CYS  38  -9.943   3.644  -4.205
  270   2HB   CYS  38           HB2      CYS  38 -10.337   4.170  -5.874
  271    H    ALA  39           HN       ALA  39 -14.332   2.936  -4.739
  272    HA   ALA  39           HA       ALA  39 -14.731   1.982  -7.317
  273   1HB   ALA  39           HB1      ALA  39 -17.167   1.799  -6.617
  274   2HB   ALA  39           HB2      ALA  39 -16.031   1.210  -5.360
  275   3HB   ALA  39           HB3      ALA  39 -16.765   2.852  -5.194
  276    H    GLY  40           HN       GLY  40 -14.836   5.206  -6.231
  277   1HA   GLY  40           HA1      GLY  40 -16.804   6.200  -8.053
  278   2HA   GLY  40           HA2      GLY  40 -15.625   7.115  -7.041
  279    H    ARG  41           HN       ARG  41 -13.276   7.046  -7.772
  280    HA   ARG  41           HA       ARG  41 -13.043   6.871 -10.680
  281   1HB   ARG  41           HB1      ARG  41 -11.830   9.084  -8.941
  282   2HB   ARG  41           HB2      ARG  41 -11.489   8.788 -10.674
  283   1HG   ARG  41           HG1      ARG  41 -14.211   9.614  -9.499
  284   2HG   ARG  41           HG2      ARG  41 -13.019  10.685 -10.286
  285   1HD   ARG  41           HD1      ARG  41 -13.230   9.265 -12.436
  286   2HD   ARG  41           HD2      ARG  41 -14.592   8.391 -11.660
  287    HE   ARG  41           HE       ARG  41 -14.439  11.313 -12.323
  288   1HH1  ARG  41          HH21      ARG  41 -17.740   9.982 -10.442
  289   2HH1  ARG  41          HH22      ARG  41 -16.474   8.838 -10.751
  290   1HH2  ARG  41          HH11      ARG  41 -17.561  12.196 -11.238
  291   2HH2  ARG  41          HH12      ARG  41 -16.156  12.679 -12.133
  292    H    ASN  42           HN       ASN  42 -11.042   7.494  -7.891
  293    HA   ASN  42           HA       ASN  42  -9.393   6.206  -6.937
  294   1HB   ASN  42           HB1      ASN  42  -9.458   4.196  -8.548
  295   2HB   ASN  42           HB2      ASN  42  -8.610   5.186  -9.761
  296   1HD2  ASN  42          HD21      ASN  42  -6.431   2.959  -7.257
  297   2HD2  ASN  42          HD22      ASN  42  -8.081   2.701  -7.704
  298    H    ASP  43           HN       ASP  43  -9.190   8.468  -6.569
  299    HA   ASP  43           HA       ASP  43  -7.765  10.042  -8.589
  300   1HB   ASP  43           HB1      ASP  43  -8.831  11.986  -6.960
  301   2HB   ASP  43           HB2      ASP  43  -9.579  11.351  -8.452
  302    H    CYS  44           HN       CYS  44  -8.290   9.629  -5.023
  303    HA   CYS  44           HA       CYS  44  -6.607  11.483  -4.302
  304   1HB   CYS  44           HB1      CYS  44  -6.647   9.762  -2.033
  305   2HB   CYS  44           HB2      CYS  44  -7.765  11.047  -2.473
  306    H    ILE  45           HN       ILE  45  -4.597  11.651  -3.302
  307    HA   ILE  45           HA       ILE  45  -2.596   9.647  -4.032
  308    HB   ILE  45           HB       ILE  45  -2.259  12.451  -2.826
  309   1HG1  ILE  45          HG11      ILE  45  -3.082  12.696  -5.096
  310   2HG1  ILE  45          HG12      ILE  45  -1.377  13.200  -4.985
  311   1HG2  ILE  45          HG21      ILE  45   0.172  12.246  -3.344
  312   2HG2  ILE  45          HG22      ILE  45  -0.357  11.048  -2.119
  313   3HG2  ILE  45          HG23      ILE  45  -0.072  10.525  -3.822
  314   1HD1  ILE  45           HD1      ILE  45  -1.776  11.937  -7.084
  315   2HD1  ILE  45           HD2      ILE  45  -0.655  11.007  -6.026
  316   3HD1  ILE  45           HD3      ILE  45  -2.386  10.518  -6.161
  317    H    ILE  46           HN       ILE  46  -1.908   8.295  -2.519
  318    HA   ILE  46           HA       ILE  46  -2.997   8.518   0.170
  319    HB   ILE  46           HB       ILE  46  -2.498   6.438  -1.807
  320   1HG1  ILE  46          HG11      ILE  46  -4.155   5.197  -0.679
  321   2HG1  ILE  46          HG12      ILE  46  -3.929   6.081   0.857
  322   1HG2  ILE  46          HG21      ILE  46  -1.871   4.581  -0.274
  323   2HG2  ILE  46          HG22      ILE  46  -0.537   5.667  -0.732
  324   3HG2  ILE  46          HG23      ILE  46  -1.257   5.776   0.930
  325   1HD1  ILE  46           HD1      ILE  46  -6.029   6.637  -0.387
  326   2HD1  ILE  46           HD2      ILE  46  -5.014   8.099  -0.146
  327   3HD1  ILE  46           HD3      ILE  46  -5.038   7.289  -1.756
  328    H    ASP  47           HN       ASP  47  -1.903   9.178   1.774
  329    HA   ASP  47           HA       ASP  47   0.927   8.895   1.918
  330   1HB   ASP  47           HB1      ASP  47   1.533  11.198   2.248
  331   2HB   ASP  47           HB2      ASP  47   0.949  10.891   0.609
  332    H    LYS  48           HN       LYS  48   1.242  10.519   4.170
  333    HA   LYS  48           HA       LYS  48   0.402   8.792   6.101
  334   1HB   LYS  48           HB1      LYS  48   2.419  10.471   5.894
  335   2HB   LYS  48           HB2      LYS  48   1.356  11.619   6.726
  336   1HG   LYS  48           HG1      LYS  48   1.157   9.806   8.626
  337   2HG   LYS  48           HG2      LYS  48   2.338   8.854   7.688
  338   1HD   LYS  48           HD1      LYS  48   3.658   9.883   9.313
  339   2HD   LYS  48           HD2      LYS  48   3.940  10.923   7.893
  340   1HE   LYS  48           HE1      LYS  48   1.959  11.539  10.217
  341   2HE   LYS  48           HE2      LYS  48   3.637  12.180  10.092
  342   1HZ   LYS  48           HZ1      LYS  48   3.027  13.274   8.069
  343   2HZ   LYS  48           HZ2      LYS  48   1.441  12.676   8.180
  344   3HZ   LYS  48           HZ3      LYS  48   2.031  13.744   9.362
  345    H    ILE  49           HN       ILE  49  -1.633  11.133   4.807
  346    HA   ILE  49           HA       ILE  49  -3.277  11.256   7.242
  347    HB   ILE  49           HB       ILE  49  -2.515  13.424   5.232
  348   1HG1  ILE  49          HG11      ILE  49  -0.997  13.288   7.137
  349   2HG1  ILE  49          HG12      ILE  49  -1.910  14.816   7.135
  350   1HG2  ILE  49          HG21      ILE  49  -4.203  14.984   6.261
  351   2HG2  ILE  49          HG22      ILE  49  -4.898  13.619   5.309
  352   3HG2  ILE  49          HG23      ILE  49  -4.937  13.562   7.113
  353   1HD1  ILE  49           HD1      ILE  49  -1.703  13.936   9.441
  354   2HD1  ILE  49           HD2      ILE  49  -3.433  13.919   8.946
  355   3HD1  ILE  49           HD3      ILE  49  -2.483  12.386   8.970
  356    H    ARG  50           HN       ARG  50  -3.082  11.472   3.761
  357    HA   ARG  50           HA       ARG  50  -5.885  11.239   3.330
  358   1HB   ARG  50           HB1      ARG  50  -3.504  11.292   1.439
  359   2HB   ARG  50           HB2      ARG  50  -5.207  11.172   0.871
  360   1HG   ARG  50           HG1      ARG  50  -5.793  13.295   2.008
  361   2HG   ARG  50           HG2      ARG  50  -4.141  13.437   2.669
  362   1HD   ARG  50           HD1      ARG  50  -4.457  14.963   0.763
  363   2HD   ARG  50           HD2      ARG  50  -3.198  13.724   0.366
  364    HE   ARG  50           HE       ARG  50  -6.068  13.417  -0.502
  365   1HH1  ARG  50          HH21      ARG  50  -3.395  14.908  -3.097
  366   2HH1  ARG  50          HH22      ARG  50  -2.900  14.676  -1.453
  367   1HH2  ARG  50          HH11      ARG  50  -5.493  14.178  -3.816
  368   2HH2  ARG  50          HH12      ARG  50  -6.578  13.394  -2.716
  369    H    ARG  51           HN       ARG  51  -3.725   8.887   4.197
  370    HA   ARG  51           HA       ARG  51  -4.710   6.802   2.568
  371   1HB   ARG  51           HB1      ARG  51  -3.505   5.192   3.683
  372   2HB   ARG  51           HB2      ARG  51  -2.463   6.613   3.635
  373   1HG   ARG  51           HG1      ARG  51  -4.108   5.629   6.064
  374   2HG   ARG  51           HG2      ARG  51  -2.388   5.283   5.773
  375   1HD   ARG  51           HD1      ARG  51  -1.700   7.563   6.198
  376   2HD   ARG  51           HD2      ARG  51  -3.389   8.194   6.062
  377    HE   ARG  51           HE       ARG  51  -3.978   7.130   8.114
  378   1HH1  ARG  51          HH21      ARG  51  -0.465   5.328   8.880
  379   2HH1  ARG  51          HH22      ARG  51  -0.579   6.296   7.447
  380   1HH2  ARG  51          HH11      ARG  51  -2.274   5.195  10.369
  381   2HH2  ARG  51          HH12      ARG  51  -3.735   6.066  10.046
  382    H    LYS  52           HN       LYS  52  -6.175   8.493   5.036
  383    HA   LYS  52           HA       LYS  52  -7.876   6.411   6.034
  384   1HB   LYS  52           HB1      LYS  52  -7.693   9.398   6.725
  385   2HB   LYS  52           HB2      LYS  52  -8.626   8.162   7.631
  386   1HG   LYS  52           HG1      LYS  52  -6.553   7.063   8.378
  387   2HG   LYS  52           HG2      LYS  52  -5.558   8.105   7.321
  388   1HD   LYS  52           HD1      LYS  52  -5.394   8.894   9.620
  389   2HD   LYS  52           HD2      LYS  52  -6.183  10.124   8.588
  390   1HE   LYS  52           HE1      LYS  52  -8.448   9.450   9.498
  391   2HE   LYS  52           HE2      LYS  52  -7.651   8.206  10.538
  392   1HZ   LYS  52           HZ1      LYS  52  -6.441   9.959  11.608
  393   2HZ   LYS  52           HZ2      LYS  52  -7.178  11.127  10.616
  394   3HZ   LYS  52           HZ3      LYS  52  -8.119  10.218  11.701
  395    H    ASN  53           HN       ASN  53  -7.902   7.562   3.181
  396    HA   ASN  53           HA       ASN  53 -10.548   8.716   3.050
  397   1HB   ASN  53           HB1      ASN  53  -8.375   9.827   1.998
  398   2HB   ASN  53           HB2      ASN  53  -8.478   8.572   0.743
  399   1HD2  ASN  53          HD21      ASN  53 -10.448  11.967   0.187
  400   2HD2  ASN  53          HD22      ASN  53  -9.017  11.700   1.135
  401    H    CYS  54           HN       CYS  54  -8.307   6.116   2.193
  402    HA   CYS  54           HA       CYS  54 -10.301   4.204   1.836
  403   1HB   CYS  54           HB1      CYS  54  -9.728   3.614  -0.613
  404   2HB   CYS  54           HB2      CYS  54 -10.762   5.054  -0.393
  405    HA   PRO  55           HA       PRO  55  -6.203   2.133   1.868
  406   1HB   PRO  55           HB1      PRO  55  -6.972  -0.366   2.626
  407   2HB   PRO  55           HB2      PRO  55  -6.983   0.990   3.722
  408   1HG   PRO  55           HG1      PRO  55  -9.344  -0.331   2.481
  409   2HG   PRO  55           HG2      PRO  55  -9.213   0.532   3.992
  410   1HD   PRO  55           HD1      PRO  55 -10.105   1.565   1.417
  411   2HD   PRO  55           HD2      PRO  55 -10.028   2.421   2.961
  412    H    ALA  56           HN       ALA  56  -8.003   2.546  -0.699
  413    HA   ALA  56           HA       ALA  56  -7.621   0.030  -2.080
  414   1HB   ALA  56           HB1      ALA  56  -9.007   1.259  -3.909
  415   2HB   ALA  56           HB2      ALA  56  -9.802   0.710  -2.416
  416   3HB   ALA  56           HB3      ALA  56  -9.373   2.447  -2.593
  417    H    CYS  57           HN       CYS  57  -7.047   3.622  -2.476
  418    HA   CYS  57           HA       CYS  57  -5.458   3.466  -4.682
  419   1HB   CYS  57           HB1      CYS  57  -5.741   5.454  -2.447
  420   2HB   CYS  57           HB2      CYS  57  -4.558   5.754  -3.712
  421    H    ARG  58           HN       ARG  58  -4.604   2.989  -1.370
  422    HA   ARG  58           HA       ARG  58  -1.880   3.145  -1.549
  423   1HB   ARG  58           HB1      ARG  58  -3.076   0.966   0.248
  424   2HB   ARG  58           HB2      ARG  58  -1.659   2.020   0.543
  425   1HG   ARG  58           HG1      ARG  58  -3.432   3.934   0.728
  426   2HG   ARG  58           HG2      ARG  58  -4.655   2.664   0.669
  427   1HD   ARG  58           HD1      ARG  58  -2.466   3.198   2.802
  428   2HD   ARG  58           HD2      ARG  58  -4.268   3.266   3.009
  429    HE   ARG  58           HE       ARG  58  -2.777   0.718   2.414
  430   1HH1  ARG  58          HH21      ARG  58  -4.069   1.481   6.151
  431   2HH1  ARG  58          HH22      ARG  58  -4.465   2.622   4.909
  432   1HH2  ARG  58          HH11      ARG  58  -2.922  -0.489   5.629
  433   2HH2  ARG  58          HH12      ARG  58  -2.461  -0.828   3.994
  434    H    TYR  59           HN       TYR  59  -4.084   0.518  -2.477
  435    HA   TYR  59           HA       TYR  59  -2.074  -1.492  -2.668
  436   1HB   TYR  59           HB1      TYR  59  -4.490  -2.037  -2.282
  437   2HB   TYR  59           HB2      TYR  59  -4.890  -1.403  -3.901
  438    HD1  TYR  59           HD1      TYR  59  -2.198  -3.785  -2.578
  439    HD2  TYR  59           HD2      TYR  59  -5.383  -3.108  -5.397
  440    HE1  TYR  59           HE1      TYR  59  -1.779  -6.000  -3.597
  441    HE2  TYR  59           HE2      TYR  59  -4.974  -5.326  -6.386
  442    HH   TYR  59           HH       TYR  59  -2.394  -7.494  -5.136
  443    H    ARG  60           HN       ARG  60  -3.661   0.821  -4.899
  444    HA   ARG  60           HA       ARG  60  -2.449   0.063  -7.248
  445   1HB   ARG  60           HB1      ARG  60  -4.538   1.352  -7.122
  446   2HB   ARG  60           HB2      ARG  60  -3.716   2.622  -6.191
  447   1HG   ARG  60           HG1      ARG  60  -4.089   3.582  -8.232
  448   2HG   ARG  60           HG2      ARG  60  -2.352   3.216  -8.263
  449   1HD   ARG  60           HD1      ARG  60  -4.578   1.534  -9.643
  450   2HD   ARG  60           HD2      ARG  60  -3.563   2.794 -10.457
  451    HE   ARG  60           HE       ARG  60  -1.564   1.384  -9.731
  452   1HH1  ARG  60          HH21      ARG  60  -3.713  -0.781 -12.347
  453   2HH1  ARG  60          HH22      ARG  60  -4.567   0.277 -11.274
  454   1HH2  ARG  60          HH11      ARG  60  -1.397  -1.049 -12.153
  455   2HH2  ARG  60          HH12      ARG  60  -0.513  -0.192 -10.934
  456    H    LYS  61           HN       LYS  61  -1.554   2.364  -4.705
  457    HA   LYS  61           HA       LYS  61   0.515   3.585  -6.028
  458   1HB   LYS  61           HB1      LYS  61  -0.903   4.548  -4.186
  459   2HB   LYS  61           HB2      LYS  61  -0.188   3.381  -3.056
  460   1HG   LYS  61           HG1      LYS  61   0.960   5.264  -2.538
  461   2HG   LYS  61           HG2      LYS  61   2.117   4.563  -3.702
  462   1HD   LYS  61           HD1      LYS  61   0.072   6.833  -4.186
  463   2HD   LYS  61           HD2      LYS  61   1.841   7.015  -3.986
  464   1HE   LYS  61           HE1      LYS  61   2.187   5.692  -6.154
  465   2HE   LYS  61           HE2      LYS  61   0.390   5.665  -6.370
  466   1HZ   LYS  61           HZ1      LYS  61   1.411   7.419  -7.576
  467   2HZ   LYS  61           HZ2      LYS  61   0.392   8.036  -6.364
  468   3HZ   LYS  61           HZ3      LYS  61   2.077   8.079  -6.159
  469    H    CYS  62           HN       CYS  62   0.563   1.085  -3.546
  470    HA   CYS  62           HA       CYS  62   3.305   0.803  -3.445
  471   1HB   CYS  62           HB1      CYS  62   3.059  -1.027  -2.003
  472   2HB   CYS  62           HB2      CYS  62   1.765   0.110  -1.649
  473    HG1  CYS  62           HG1      CYS  62   1.505  -2.656  -3.445
  474    H    LEU  63           HN       LEU  63   0.921  -0.791  -5.524
  475    HA   LEU  63           HA       LEU  63   2.654  -2.581  -6.764
  476   1HB   LEU  63           HB1      LEU  63  -0.042  -1.382  -7.552
  477   2HB   LEU  63           HB2      LEU  63   0.827  -2.430  -8.709
  478    HG   LEU  63           HG       LEU  63   0.070  -3.327  -5.873
  479   1HD1  LEU  63          HD11      LEU  63  -1.766  -4.623  -6.974
  480   2HD1  LEU  63          HD12      LEU  63  -1.990  -2.849  -7.182
  481   3HD1  LEU  63          HD13      LEU  63  -1.379  -3.849  -8.551
  482   1HD2  LEU  63          HD21      LEU  63   0.493  -5.633  -6.799
  483   2HD2  LEU  63          HD22      LEU  63   1.083  -4.901  -8.333
  484   3HD2  LEU  63          HD23      LEU  63   1.977  -4.620  -6.795
  485    H    GLN  64           HN       GLN  64   1.699   0.807  -7.552
  486    HA   GLN  64           HA       GLN  64   3.031   1.016  -9.932
  487   1HB   GLN  64           HB1      GLN  64   1.228   2.490  -8.867
  488   2HB   GLN  64           HB2      GLN  64   2.500   3.300  -7.937
  489   1HG   GLN  64           HG1      GLN  64   2.425   3.089 -11.032
  490   2HG   GLN  64           HG2      GLN  64   1.583   4.381 -10.122
  491   1HE2  GLN  64          HE21      GLN  64   4.323   3.900 -11.899
  492   2HE2  GLN  64          HE22      GLN  64   5.401   5.029 -11.148
  493    H    ALA  65           HN       ALA  65   4.068   1.363  -6.644
  494    HA   ALA  65           HA       ALA  65   6.565   2.490  -7.034
  495   1HB   ALA  65           HB1      ALA  65   7.069   2.059  -4.720
  496   2HB   ALA  65           HB2      ALA  65   5.351   2.555  -4.847
  497   3HB   ALA  65           HB3      ALA  65   5.755   0.822  -4.608
  498    H    GLY  66           HN       GLY  66   5.537  -0.842  -6.946
  499   1HA   GLY  66           HA1      GLY  66   6.657  -2.227  -8.530
  500   2HA   GLY  66           HA2      GLY  66   8.232  -1.684  -7.854
  501    H    MET  67           HN       MET  67   5.452  -2.371  -5.774
  502    HA   MET  67           HA       MET  67   6.873  -4.175  -4.189
  503   1HB   MET  67           HB1      MET  67   3.905  -3.576  -4.389
  504   2HB   MET  67           HB2      MET  67   4.468  -4.886  -3.316
  505   1HG   MET  67           HG1      MET  67   5.443  -1.983  -3.078
  506   2HG   MET  67           HG2      MET  67   4.071  -2.705  -2.185
  507   1HE   MET  67           HE1      MET  67   4.130  -3.835  -0.028
  508   2HE   MET  67           HE2      MET  67   5.498  -4.767   0.664
  509   3HE   MET  67           HE3      MET  67   4.653  -5.403  -0.788
  510    H    ASN  68           HN       ASN  68   6.718  -6.560  -3.892
  511    HA   ASN  68           HA       ASN  68   5.127  -8.033  -5.726
  512   1HB   ASN  68           HB1      ASN  68   7.326  -7.227  -7.119
  513   2HB   ASN  68           HB2      ASN  68   8.148  -8.484  -6.221
  514   1HD2  ASN  68          HD21      ASN  68   5.159  -9.690  -8.850
  515   2HD2  ASN  68          HD22      ASN  68   5.008  -8.192  -7.967
  516    H    LEU  69           HN       LEU  69   4.675  -9.854  -4.722
  517    HA   LEU  69           HA       LEU  69   6.060 -10.424  -2.258
  518   1HB   LEU  69           HB1      LEU  69   3.872 -10.047  -1.788
  519   2HB   LEU  69           HB2      LEU  69   3.307 -10.721  -3.353
  520    HG   LEU  69           HG       LEU  69   3.651 -13.056  -2.430
  521   1HD1  LEU  69          HD11      LEU  69   3.886 -13.350   0.036
  522   2HD1  LEU  69          HD12      LEU  69   5.331 -12.496  -0.613
  523   3HD1  LEU  69          HD13      LEU  69   4.051 -11.563   0.240
  524   1HD2  LEU  69          HD21      LEU  69   1.595 -13.073  -1.161
  525   2HD2  LEU  69          HD22      LEU  69   1.706 -11.294  -0.846
  526   3HD2  LEU  69          HD23      LEU  69   1.451 -11.918  -2.517
  527    H    GLU  70           HN       GLU  70   7.233 -10.944  -4.786
  528    HA   GLU  70           HA       GLU  70   8.359 -13.460  -4.316
  529   1HB   GLU  70           HB1      GLU  70   7.041 -12.945  -7.061
  530   2HB   GLU  70           HB2      GLU  70   8.147 -14.312  -6.678
  531   1HG   GLU  70           HG1      GLU  70   6.407 -15.179  -5.017
  532   2HG   GLU  70           HG2      GLU  70   5.282 -13.889  -5.571
  533    H    ALA  71           HN       ALA  71   8.981 -10.840  -3.968
  534    HA   ALA  71           HA       ALA  71  10.533  -9.803  -6.170
  535   1HB   ALA  71           HB1      ALA  71  11.021  -7.925  -4.450
  536   2HB   ALA  71           HB2      ALA  71   9.303  -8.148  -4.795
  537   3HB   ALA  71           HB3      ALA  71   9.974  -8.855  -3.304
  538    H    ARG  72           HN       ARG  72  12.747  -8.797  -5.333
  539    HA   ARG  72           HA       ARG  72  14.276 -10.598  -3.606
  540   1HB   ARG  72           HB1      ARG  72  14.983  -9.669  -6.446
  541   2HB   ARG  72           HB2      ARG  72  16.258 -10.056  -5.246
  542   1HG   ARG  72           HG1      ARG  72  15.415 -12.349  -4.984
  543   2HG   ARG  72           HG2      ARG  72  14.094 -12.052  -6.157
  544   1HD   ARG  72           HD1      ARG  72  15.619 -11.815  -8.022
  545   2HD   ARG  72           HD2      ARG  72  17.063 -11.653  -6.956
  546    HE   ARG  72           HE       ARG  72  15.467 -14.159  -7.425
  547   1HH1  ARG  72          HH21      ARG  72  18.600 -14.233  -4.885
  548   2HH1  ARG  72          HH22      ARG  72  18.179 -12.722  -5.618
  549   1HH2  ARG  72          HH11      ARG  72  16.182 -16.146  -6.639
  550   2HH2  ARG  72          HH12      ARG  72  17.458 -16.189  -5.468
   
  No H/Q in entry =         550
  Start of MODEL    4
    1   1H    LEU   1           HT1      LEU   1  12.280   5.661   2.994
    2   2H    LEU   1           HT2      LEU   1  12.511   6.013   4.640
    3   3H    LEU   1           HT3      LEU   1  12.123   4.432   4.156
    4    HA   LEU   1           HA       LEU   1  10.290   5.504   5.108
    5   1HB   LEU   1           HB1      LEU   1   9.188   7.481   4.052
    6   2HB   LEU   1           HB2      LEU   1  10.798   7.787   4.720
    7    HG   LEU   1           HG       LEU   1  11.686   7.487   2.256
    8   1HD1  LEU   1          HD11      LEU   1   8.716   8.098   1.664
    9   2HD1  LEU   1          HD12      LEU   1  10.071   8.266   0.491
   10   3HD1  LEU   1          HD13      LEU   1   9.644   6.651   1.124
   11   1HD2  LEU   1          HD21      LEU   1  10.041   9.961   3.067
   12   2HD2  LEU   1          HD22      LEU   1  11.739   9.599   3.550
   13   3HD2  LEU   1          HD23      LEU   1  11.344   9.902   1.821
   14    H    CYS   2           HN       CYS   2   8.055   5.126   4.385
   15    HA   CYS   2           HA       CYS   2   7.682   2.998   2.678
   16   1HB   CYS   2           HB1      CYS   2   6.311   3.366   4.731
   17   2HB   CYS   2           HB2      CYS   2   5.654   4.900   3.977
   18    H    LEU   3           HN       LEU   3   7.175   3.023   0.460
   19    HA   LEU   3           HA       LEU   3   7.257   5.679  -0.638
   20   1HB   LEU   3           HB1      LEU   3   7.762   2.898  -1.711
   21   2HB   LEU   3           HB2      LEU   3   7.786   4.299  -2.840
   22    HG   LEU   3           HG       LEU   3   9.577   4.101  -0.368
   23   1HD1  LEU   3          HD11      LEU   3  11.458   3.505  -1.908
   24   2HD1  LEU   3          HD12      LEU   3  10.165   2.253  -1.921
   25   3HD1  LEU   3          HD13      LEU   3  10.306   3.415  -3.292
   26   1HD2  LEU   3          HD21      LEU   3  10.901   5.920  -1.428
   27   2HD2  LEU   3          HD22      LEU   3   9.749   5.975  -2.815
   28   3HD2  LEU   3          HD23      LEU   3   9.201   6.436  -1.165
   29    H    VAL   4           HN       VAL   4   4.984   4.200   0.464
   30    HA   VAL   4           HA       VAL   4   3.100   4.228  -1.794
   31    HB   VAL   4           HB       VAL   4   2.795   2.594   0.760
   32   1HG1  VAL   4          HG21      VAL   4   1.333   2.352  -1.896
   33   2HG1  VAL   4          HG22      VAL   4   1.056   1.386  -0.387
   34   3HG1  VAL   4          HG23      VAL   4   0.707   3.156  -0.405
   35   1HG2  VAL   4          HG11      VAL   4   4.012   1.675  -1.877
   36   2HG2  VAL   4          HG12      VAL   4   4.825   1.838  -0.286
   37   3HG2  VAL   4          HG13      VAL   4   3.533   0.610  -0.485
   38    H    CYS   5           HN       CYS   5   3.088   4.430   1.765
   39    HA   CYS   5           HA       CYS   5   1.047   6.567   1.490
   40   1HB   CYS   5           HB1      CYS   5   0.036   6.054   3.530
   41   2HB   CYS   5           HB2      CYS   5   0.104   4.608   2.527
   42    H    SER   6           HN       SER   6   4.047   6.492   1.423
   43    HA   SER   6           HA       SER   6   5.773   7.726   2.127
   44   1HB   SER   6           HB1      SER   6   3.875  10.014   1.970
   45   2HB   SER   6           HB2      SER   6   5.600   9.945   1.410
   46    HG   SER   6           HG1      SER   6   4.127   9.802  -0.273
   47    H    ASP   7           HN       ASP   7   5.379   6.561   4.244
   48    HA   ASP   7           HA       ASP   7   5.342   8.467   6.517
   49   1HB   ASP   7           HB1      ASP   7   3.303   6.931   6.171
   50   2HB   ASP   7           HB2      ASP   7   4.377   5.524   6.209
   51    H    GLU   8           HN       GLU   8   6.732   7.402   8.392
   52    HA   GLU   8           HA       GLU   8   9.215   6.695   7.401
   53   1HB   GLU   8           HB1      GLU   8   8.710   6.074  10.285
   54   2HB   GLU   8           HB2      GLU   8  10.086   6.880   9.474
   55   1HG   GLU   8           HG1      GLU   8   8.505   8.930   9.140
   56   2HG   GLU   8           HG2      GLU   8   7.276   8.057  10.117
   57    H    ALA   9           HN       ALA   9   9.912   4.778   6.574
   58    HA   ALA   9           HA       ALA   9   8.351   2.410   7.023
   59   1HB   ALA   9           HB1      ALA   9  10.178   1.393   5.367
   60   2HB   ALA   9           HB2      ALA   9   8.946   2.498   4.714
   61   3HB   ALA   9           HB3      ALA   9  10.617   3.099   5.106
   62    H    SER  10           HN       SER  10   9.198   0.392   7.658
   63    HA   SER  10           HA       SER  10  11.111   0.650   9.789
   64   1HB   SER  10           HB1      SER  10  10.367  -1.709  10.384
   65   2HB   SER  10           HB2      SER  10   9.104  -0.440  10.457
   66    HG   SER  10           HG1      SER  10   8.406  -2.312   9.424
   67    H    GLY  11           HN       GLY  11  10.705  -0.932   6.624
   68   1HA   GLY  11           HA1      GLY  11  13.354  -1.107   5.993
   69   2HA   GLY  11           HA2      GLY  11  12.848  -2.704   6.721
   70    H    CYS  12           HN       CYS  12  13.456  -2.977   4.087
   71    HA   CYS  12           HA       CYS  12  11.083  -2.449   2.502
   72   1HB   CYS  12           HB1      CYS  12  12.350  -3.473   0.604
   73   2HB   CYS  12           HB2      CYS  12  13.091  -2.023   1.313
   74    HG1  CYS  12           HG1      CYS  12  14.773  -3.336   2.893
   75    H    HIS  13           HN       HIS  13   9.707  -4.049   1.572
   76    HA   HIS  13           HA       HIS  13  10.043  -6.773   2.545
   77   1HB   HIS  13           HB1      HIS  13   7.375  -5.268   2.974
   78   2HB   HIS  13           HB2      HIS  13   7.813  -6.945   3.435
   79    HD2  HIS  13           HD2      HIS  13   9.423  -7.184   5.778
   80    HE1  HIS  13           HE1      HIS  13   8.933  -3.130   6.893
   81    HE2  HIS  13           HE2      HIS  13   9.748  -5.435   7.641
   82    H    TYR  14           HN       TYR  14   9.635  -8.047   0.827
   83    HA   TYR  14           HA       TYR  14   8.836  -8.819  -1.010
   84   1HB   TYR  14           HB1      TYR  14   6.757  -6.590  -1.243
   85   2HB   TYR  14           HB2      TYR  14   6.669  -8.063  -2.057
   86    HD1  TYR  14           HD1      TYR  14   7.419 -10.250  -0.187
   87    HD2  TYR  14           HD2      TYR  14   4.881  -6.853   0.343
   88    HE1  TYR  14           HE1      TYR  14   6.460 -11.307   1.781
   89    HE2  TYR  14           HE2      TYR  14   3.904  -7.914   2.316
   90    HH   TYR  14           HH       TYR  14   4.969 -11.138   3.466
   91    H    GLY  15           HN       GLY  15   8.085  -6.038  -2.822
   92   1HA   GLY  15           HA1      GLY  15  10.849  -6.050  -3.873
   93   2HA   GLY  15           HA2      GLY  15   9.327  -5.601  -4.701
   94    H    VAL  16           HN       VAL  16   8.918  -4.007  -1.806
   95    HA   VAL  16           HA       VAL  16  10.467  -1.659  -2.735
   96    HB   VAL  16           HB       VAL  16   7.535  -1.739  -1.963
   97   1HG1  VAL  16          HG21      VAL  16   9.060   0.659  -3.078
   98   2HG1  VAL  16          HG22      VAL  16   7.269   0.510  -2.899
   99   3HG1  VAL  16          HG23      VAL  16   8.293   0.502  -1.437
  100   1HG2  VAL  16          HG11      VAL  16   8.743  -1.276  -4.776
  101   2HG2  VAL  16          HG12      VAL  16   7.920  -2.771  -4.229
  102   3HG2  VAL  16          HG13      VAL  16   6.990  -1.245  -4.356
  103    H    LEU  17           HN       LEU  17  10.780  -0.137  -1.336
  104    HA   LEU  17           HA       LEU  17  11.109  -0.700   1.426
  105   1HB   LEU  17           HB1      LEU  17  12.737   0.716   0.159
  106   2HB   LEU  17           HB2      LEU  17  11.482   1.960  -0.050
  107    HG   LEU  17           HG       LEU  17  11.380   2.231   2.470
  108   1HD1  LEU  17          HD11      LEU  17  13.208   1.331   3.897
  109   2HD1  LEU  17          HD12      LEU  17  12.168   0.035   3.219
  110   3HD1  LEU  17          HD13      LEU  17  13.803   0.332   2.517
  111   1HD2  LEU  17          HD21      LEU  17  13.522   3.489   2.682
  112   2HD2  LEU  17          HD22      LEU  17  14.151   2.687   1.197
  113   3HD2  LEU  17          HD23      LEU  17  12.724   3.785   1.095
  114    H    THR  18           HN       THR  18   9.098  -1.073   2.377
  115    HA   THR  18           HA       THR  18   7.102   1.105   2.251
  116    HB   THR  18           HB       THR  18   5.587  -1.127   2.961
  117    HG1  THR  18           HG1      THR  18   6.335  -2.944   1.955
  118   1HG2  THR  18          HG21      THR  18   4.910  -1.550   0.709
  119   2HG2  THR  18          HG22      THR  18   5.179   0.210   0.974
  120   3HG2  THR  18          HG23      THR  18   6.399  -0.756   0.035
  121    H    CYS  19           HN       CYS  19   5.523   0.773   4.143
  122    HA   CYS  19           HA       CYS  19   7.168   0.985   6.481
  123   1HB   CYS  19           HB1      CYS  19   5.316   1.726   7.789
  124   2HB   CYS  19           HB2      CYS  19   5.595   2.701   6.414
  125    H    GLY  20           HN       GLY  20   5.317  -0.023   8.468
  126   1HA   GLY  20           HA1      GLY  20   5.975  -2.842   8.370
  127   2HA   GLY  20           HA2      GLY  20   5.164  -1.900   9.676
  128    H    SER  21           HN       SER  21   3.089  -0.758   8.350
  129    HA   SER  21           HA       SER  21   1.202  -2.819   8.247
  130   1HB   SER  21           HB1      SER  21   0.901  -0.413   9.094
  131   2HB   SER  21           HB2      SER  21   0.783   0.107   7.381
  132    HG   SER  21           HG1      SER  21  -1.218  -0.295   8.404
  133    H    CYS  22           HN       CYS  22   2.753  -0.940   5.559
  134    HA   CYS  22           HA       CYS  22   0.951  -1.727   3.598
  135   1HB   CYS  22           HB1      CYS  22   3.673  -0.470   3.391
  136   2HB   CYS  22           HB2      CYS  22   2.792  -1.005   1.924
  137    H    LYS  23           HN       LYS  23   3.547  -3.369   5.014
  138    HA   LYS  23           HA       LYS  23   4.063  -5.284   3.089
  139   1HB   LYS  23           HB1      LYS  23   5.534  -4.909   5.077
  140   2HB   LYS  23           HB2      LYS  23   4.237  -5.499   6.143
  141   1HG   LYS  23           HG1      LYS  23   4.400  -7.778   4.878
  142   2HG   LYS  23           HG2      LYS  23   5.876  -7.123   4.114
  143   1HD   LYS  23           HD1      LYS  23   6.884  -6.817   6.419
  144   2HD   LYS  23           HD2      LYS  23   5.376  -7.425   7.143
  145   1HE   LYS  23           HE1      LYS  23   7.109  -9.217   7.098
  146   2HE   LYS  23           HE2      LYS  23   5.695  -9.666   6.073
  147   1HZ   LYS  23           HZ1      LYS  23   8.282  -8.576   5.133
  148   2HZ   LYS  23           HZ2      LYS  23   7.733 -10.180   5.015
  149   3HZ   LYS  23           HZ3      LYS  23   6.943  -8.947   4.157
  150    H    VAL  24           HN       VAL  24   2.143  -5.482   6.016
  151    HA   VAL  24           HA       VAL  24   0.920  -7.902   5.545
  152    HB   VAL  24           HB       VAL  24  -0.080  -5.595   7.347
  153   1HG1  VAL  24          HG21      VAL  24  -0.436  -8.632   7.744
  154   2HG1  VAL  24          HG22      VAL  24  -0.945  -7.322   8.890
  155   3HG1  VAL  24          HG23      VAL  24  -1.718  -7.457   7.269
  156   1HG2  VAL  24          HG11      VAL  24   2.112  -7.644   8.016
  157   2HG2  VAL  24          HG12      VAL  24   2.279  -5.853   7.851
  158   3HG2  VAL  24          HG13      VAL  24   1.322  -6.533   9.198
  159    H    PHE  25           HN       PHE  25  -0.084  -4.712   4.826
  160    HA   PHE  25           HA       PHE  25  -2.727  -4.922   4.157
  161   1HB   PHE  25           HB1      PHE  25  -1.500  -2.789   4.477
  162   2HB   PHE  25           HB2      PHE  25  -0.371  -3.208   3.181
  163    HD1  PHE  25           HD2      PHE  25  -4.167  -2.756   3.564
  164    HD2  PHE  25           HD1      PHE  25  -0.602  -2.239   1.203
  165    HE1  PHE  25           HE2      PHE  25  -5.505  -1.776   1.729
  166    HE2  PHE  25           HE1      PHE  25  -1.907  -1.310  -0.598
  167    HZ   PHE  25           HZ       PHE  25  -4.392  -1.088  -0.391
  168    H    PHE  26           HN       PHE  26   0.143  -4.919   2.151
  169    HA   PHE  26           HA       PHE  26  -0.950  -5.491  -0.299
  170   1HB   PHE  26           HB1      PHE  26   1.330  -4.464  -0.012
  171   2HB   PHE  26           HB2      PHE  26   1.916  -5.985   0.698
  172    HD1  PHE  26           HD1      PHE  26   0.177  -4.812  -2.495
  173    HD2  PHE  26           HD2      PHE  26   3.047  -7.435  -0.686
  174    HE1  PHE  26           HE1      PHE  26   0.893  -5.569  -4.727
  175    HE2  PHE  26           HE2      PHE  26   3.815  -8.131  -2.908
  176    HZ   PHE  26           HZ       PHE  26   2.734  -7.287  -4.940
  177    H    LYS  27           HN       LYS  27   0.553  -7.638   2.025
  178    HA   LYS  27           HA       LYS  27   0.399  -9.942   0.434
  179   1HB   LYS  27           HB1      LYS  27   2.166  -9.756   1.948
  180   2HB   LYS  27           HB2      LYS  27   1.090  -9.554   3.357
  181   1HG   LYS  27           HG1      LYS  27   0.725 -12.174   1.876
  182   2HG   LYS  27           HG2      LYS  27   2.379 -11.888   2.455
  183   1HD   LYS  27           HD1      LYS  27   1.163 -13.146   4.140
  184   2HD   LYS  27           HD2      LYS  27   1.606 -11.531   4.773
  185   1HE   LYS  27           HE1      LYS  27  -0.770 -10.731   4.401
  186   2HE   LYS  27           HE2      LYS  27  -1.207 -12.369   3.767
  187   1HZ   LYS  27           HZ1      LYS  27  -0.206 -11.717   6.472
  188   2HZ   LYS  27           HZ2      LYS  27  -1.795 -12.123   6.030
  189   3HZ   LYS  27           HZ3      LYS  27  -0.554 -13.275   5.891
  190    H    ARG  28           HN       ARG  28  -2.016  -8.422   2.449
  191    HA   ARG  28           HA       ARG  28  -3.803 -10.700   2.318
  192   1HB   ARG  28           HB1      ARG  28  -3.667  -8.189   3.856
  193   2HB   ARG  28           HB2      ARG  28  -5.258  -8.312   3.090
  194   1HG   ARG  28           HG1      ARG  28  -5.451  -9.274   5.254
  195   2HG   ARG  28           HG2      ARG  28  -5.580 -10.598   4.052
  196   1HD   ARG  28           HD1      ARG  28  -3.203 -11.294   4.538
  197   2HD   ARG  28           HD2      ARG  28  -3.011  -9.884   5.651
  198    HE   ARG  28           HE       ARG  28  -4.611 -10.858   7.160
  199   1HH1  ARG  28          HH21      ARG  28  -5.416 -14.180   5.026
  200   2HH1  ARG  28          HH22      ARG  28  -4.282 -13.046   4.368
  201   1HH2  ARG  28          HH11      ARG  28  -6.341 -13.832   7.153
  202   2HH2  ARG  28          HH12      ARG  28  -5.896 -12.440   8.082
  203    H    ALA  29           HN       ALA  29  -3.274  -7.580   0.858
  204    HA   ALA  29           HA       ALA  29  -5.572  -7.336  -0.667
  205   1HB   ALA  29           HB1      ALA  29  -4.388  -5.489  -1.838
  206   2HB   ALA  29           HB2      ALA  29  -4.060  -5.416  -0.083
  207   3HB   ALA  29           HB3      ALA  29  -2.812  -6.096  -1.175
  208    H    VAL  30           HN       VAL  30  -2.871  -9.337  -1.205
  209    HA   VAL  30           HA       VAL  30  -3.275  -9.540  -4.100
  210    HB   VAL  30           HB       VAL  30  -1.018 -10.512  -2.303
  211   1HG1  VAL  30          HG21      VAL  30  -1.140 -10.601  -5.383
  212   2HG1  VAL  30          HG22      VAL  30   0.179 -11.232  -4.311
  213   3HG1  VAL  30          HG23      VAL  30  -1.450 -12.019  -4.323
  214   1HG2  VAL  30          HG11      VAL  30  -0.617  -8.447  -4.520
  215   2HG2  VAL  30          HG12      VAL  30  -1.180  -7.929  -2.909
  216   3HG2  VAL  30          HG13      VAL  30   0.374  -8.804  -3.052
  217    H    GLU  31           HN       GLU  31  -2.215 -11.897  -1.719
  218    HA   GLU  31           HA       GLU  31  -4.093 -13.876  -2.786
  219   1HB   GLU  31           HB1      GLU  31  -1.603 -14.287  -1.053
  220   2HB   GLU  31           HB2      GLU  31  -2.700 -15.581  -1.651
  221   1HG   GLU  31           HG1      GLU  31  -2.151 -14.820  -4.053
  222   2HG   GLU  31           HG2      GLU  31  -0.887 -13.749  -3.352
  223    H    GLY  32           HN       GLY  32  -5.550 -12.286  -1.532
  224   1HA   GLY  32           HA1      GLY  32  -6.598 -13.841   0.635
  225   2HA   GLY  32           HA2      GLY  32  -5.868 -12.268   1.180
  226    H    GLN  33           HN       GLN  33  -7.852 -11.383   1.840
  227    HA   GLN  33           HA       GLN  33  -9.803 -10.809  -0.285
  228   1HB   GLN  33           HB1      GLN  33 -11.328 -10.079   1.467
  229   2HB   GLN  33           HB2      GLN  33 -10.919 -11.800   1.639
  230   1HG   GLN  33           HG1      GLN  33  -9.674 -11.517   3.631
  231   2HG   GLN  33           HG2      GLN  33  -9.305  -9.796   3.326
  232   1HE2  GLN  33          HE21      GLN  33 -11.267  -8.276   3.193
  233   2HE2  GLN  33          HE22      GLN  33 -12.501  -8.493   4.393
  234    H    HIS  34           HN       HIS  34 -10.316  -8.596  -0.671
  235    HA   HIS  34           HA       HIS  34  -8.377  -6.692   0.447
  236   1HB   HIS  34           HB1      HIS  34  -9.092  -5.967  -2.298
  237   2HB   HIS  34           HB2      HIS  34  -7.520  -6.129  -1.500
  238    HD2  HIS  34           HD2      HIS  34  -6.953  -9.261  -1.200
  239    HE1  HIS  34           HE1      HIS  34  -8.250  -9.560  -5.211
  240    HE2  HIS  34           HE2      HIS  34  -6.954 -10.691  -3.323
  241    H    ASN  35           HN       ASN  35 -10.978  -6.092  -1.903
  242    HA   ASN  35           HA       ASN  35 -12.597  -4.756  -1.981
  243   1HB   ASN  35           HB1      ASN  35 -14.558  -4.972  -0.444
  244   2HB   ASN  35           HB2      ASN  35 -13.979  -6.432  -1.272
  245   1HD2  ASN  35          HD21      ASN  35 -13.302  -8.304   1.657
  246   2HD2  ASN  35          HD22      ASN  35 -13.221  -8.212  -0.071
  247    H    TYR  36           HN       TYR  36 -11.451  -2.868  -2.083
  248    HA   TYR  36           HA       TYR  36 -11.628  -1.140   0.274
  249   1HB   TYR  36           HB1      TYR  36  -9.551  -0.779  -1.881
  250   2HB   TYR  36           HB2      TYR  36  -9.606  -0.034  -0.239
  251    HD1  TYR  36           HD1      TYR  36  -9.770  -2.078   1.659
  252    HD2  TYR  36           HD2      TYR  36  -7.827  -2.305  -2.177
  253    HE1  TYR  36           HE1      TYR  36  -8.244  -3.797   2.533
  254    HE2  TYR  36           HE2      TYR  36  -6.288  -4.005  -1.294
  255    HH   TYR  36           HH       TYR  36  -6.526  -5.157   2.113
  256    H    LEU  37           HN       LEU  37 -11.900  -1.327  -3.293
  257    HA   LEU  37           HA       LEU  37 -13.240  -0.406  -4.669
  258   1HB   LEU  37           HB1      LEU  37 -14.618   1.241  -2.499
  259   2HB   LEU  37           HB2      LEU  37 -15.204   0.963  -4.163
  260    HG   LEU  37           HG       LEU  37 -14.834  -1.211  -2.009
  261   1HD1  LEU  37          HD11      LEU  37 -17.304  -1.214  -1.838
  262   2HD1  LEU  37          HD12      LEU  37 -16.622   0.394  -1.409
  263   3HD1  LEU  37          HD13      LEU  37 -17.405   0.152  -3.016
  264   1HD2  LEU  37          HD21      LEU  37 -16.150  -2.679  -3.543
  265   2HD2  LEU  37          HD22      LEU  37 -16.125  -1.389  -4.805
  266   3HD2  LEU  37          HD23      LEU  37 -14.592  -2.179  -4.281
  267    H    CYS  38           HN       CYS  38 -11.626   0.626  -5.860
  268    HA   CYS  38           HA       CYS  38 -12.116   3.228  -6.454
  269   1HB   CYS  38           HB1      CYS  38 -10.482   3.253  -4.209
  270   2HB   CYS  38           HB2      CYS  38  -9.210   3.177  -5.431
  271    H    ALA  39           HN       ALA  39 -12.227   0.916  -7.505
  272    HA   ALA  39           HA       ALA  39  -9.921   0.072  -8.926
  273   1HB   ALA  39           HB1      ALA  39 -11.397  -1.755  -9.783
  274   2HB   ALA  39           HB2      ALA  39 -11.551  -1.566  -8.002
  275   3HB   ALA  39           HB3      ALA  39 -12.828  -0.895  -9.081
  276    H    GLY  40           HN       GLY  40 -12.465   2.274  -9.546
  277   1HA   GLY  40           HA1      GLY  40 -11.631   2.538 -12.347
  278   2HA   GLY  40           HA2      GLY  40 -13.367   2.235 -11.934
  279    H    ARG  41           HN       ARG  41 -11.211   4.094  -9.772
  280    HA   ARG  41           HA       ARG  41 -12.377   6.620 -10.671
  281   1HB   ARG  41           HB1      ARG  41 -11.875   5.532  -7.862
  282   2HB   ARG  41           HB2      ARG  41 -12.018   7.296  -8.202
  283   1HG   ARG  41           HG1      ARG  41 -14.330   7.167  -8.588
  284   2HG   ARG  41           HG2      ARG  41 -14.276   5.462  -9.115
  285   1HD   ARG  41           HD1      ARG  41 -15.434   5.641  -6.936
  286   2HD   ARG  41           HD2      ARG  41 -13.909   4.676  -6.778
  287    HE   ARG  41           HE       ARG  41 -12.855   6.856  -5.966
  288   1HH1  ARG  41          HH21      ARG  41 -15.683   5.815  -3.300
  289   2HH1  ARG  41          HH22      ARG  41 -15.992   5.507  -4.975
  290   1HH2  ARG  41          HH11      ARG  41 -13.731   6.939  -2.644
  291   2HH2  ARG  41          HH12      ARG  41 -12.584   7.466  -3.831
  292    H    ASN  42           HN       ASN  42 -10.109   5.843  -8.192
  293    HA   ASN  42           HA       ASN  42  -8.032   6.085  -7.769
  294   1HB   ASN  42           HB1      ASN  42  -7.488   4.600  -9.683
  295   2HB   ASN  42           HB2      ASN  42  -7.459   5.994 -10.795
  296   1HD2  ASN  42          HD21      ASN  42  -3.972   6.383 -10.290
  297   2HD2  ASN  42          HD22      ASN  42  -5.328   6.359 -11.368
  298    H    ASP  43           HN       ASP  43  -9.179   8.049  -7.065
  299    HA   ASP  43           HA       ASP  43  -8.391  10.496  -8.500
  300   1HB   ASP  43           HB1      ASP  43 -10.149  11.456  -6.625
  301   2HB   ASP  43           HB2      ASP  43 -10.529  10.988  -8.320
  302    H    CYS  44           HN       CYS  44  -8.892   9.229  -5.099
  303    HA   CYS  44           HA       CYS  44  -7.765  11.299  -3.976
  304   1HB   CYS  44           HB1      CYS  44  -7.437   9.109  -2.089
  305   2HB   CYS  44           HB2      CYS  44  -8.721  10.313  -2.221
  306    H    ILE  45           HN       ILE  45  -5.793  11.539  -2.638
  307    HA   ILE  45           HA       ILE  45  -3.419  10.265  -3.788
  308    HB   ILE  45           HB       ILE  45  -3.727  12.657  -1.877
  309   1HG1  ILE  45          HG11      ILE  45  -4.653  13.238  -4.065
  310   2HG1  ILE  45          HG12      ILE  45  -3.163  14.146  -3.711
  311   1HG2  ILE  45          HG21      ILE  45  -1.320  13.172  -2.363
  312   2HG2  ILE  45          HG22      ILE  45  -1.509  11.600  -1.518
  313   3HG2  ILE  45          HG23      ILE  45  -1.175  11.630  -3.282
  314   1HD1  ILE  45           HD1      ILE  45  -3.239  13.435  -6.094
  315   2HD1  ILE  45           HD2      ILE  45  -1.857  12.644  -5.260
  316   3HD1  ILE  45           HD3      ILE  45  -3.357  11.706  -5.613
  317    H    ILE  46           HN       ILE  46  -2.061   9.041  -2.410
  318    HA   ILE  46           HA       ILE  46  -3.096   8.439   0.280
  319    HB   ILE  46           HB       ILE  46  -2.506   6.675  -2.034
  320   1HG1  ILE  46          HG11      ILE  46  -4.021   5.144  -0.993
  321   2HG1  ILE  46          HG12      ILE  46  -3.872   5.913   0.615
  322   1HG2  ILE  46          HG21      ILE  46  -1.729   4.731  -0.742
  323   2HG2  ILE  46          HG22      ILE  46  -0.469   5.990  -0.938
  324   3HG2  ILE  46          HG23      ILE  46  -1.283   5.792   0.661
  325   1HD1  ILE  46           HD1      ILE  46  -6.028   6.282  -0.708
  326   2HD1  ILE  46           HD2      ILE  46  -5.255   7.764  -0.032
  327   3HD1  ILE  46           HD3      ILE  46  -5.093   7.356  -1.802
  328    H    ASP  47           HN       ASP  47  -1.850   9.213   1.712
  329    HA   ASP  47           HA       ASP  47   0.956   8.893   1.587
  330   1HB   ASP  47           HB1      ASP  47   1.690  11.120   1.982
  331   2HB   ASP  47           HB2      ASP  47   0.972  10.981   0.364
  332    H    LYS  48           HN       LYS  48   1.482  10.440   3.871
  333    HA   LYS  48           HA       LYS  48   0.630   8.690   5.783
  334   1HB   LYS  48           HB1      LYS  48   2.744  10.161   5.532
  335   2HB   LYS  48           HB2      LYS  48   1.876  11.407   6.442
  336   1HG   LYS  48           HG1      LYS  48   1.982   8.567   7.587
  337   2HG   LYS  48           HG2      LYS  48   3.517   9.464   7.492
  338   1HD   LYS  48           HD1      LYS  48   1.034  10.532   8.980
  339   2HD   LYS  48           HD2      LYS  48   2.336   9.568   9.724
  340   1HE   LYS  48           HE1      LYS  48   4.026  11.329   9.138
  341   2HE   LYS  48           HE2      LYS  48   2.735  12.323   8.355
  342   1HZ   LYS  48           HZ1      LYS  48   1.616  12.447  10.439
  343   2HZ   LYS  48           HZ2      LYS  48   2.784  11.466  11.185
  344   3HZ   LYS  48           HZ3      LYS  48   3.217  12.997  10.589
  345    H    ILE  49           HN       ILE  49  -1.231  11.224   4.634
  346    HA   ILE  49           HA       ILE  49  -2.740  11.499   7.142
  347    HB   ILE  49           HB       ILE  49  -2.188  13.406   4.829
  348   1HG1  ILE  49          HG11      ILE  49  -0.406  13.438   6.459
  349   2HG1  ILE  49          HG12      ILE  49  -1.315  14.969   6.498
  350   1HG2  ILE  49          HG21      ILE  49  -3.705  15.100   5.901
  351   2HG2  ILE  49          HG22      ILE  49  -4.554  13.646   5.254
  352   3HG2  ILE  49          HG23      ILE  49  -4.295  13.809   7.030
  353   1HD1  ILE  49           HD1      ILE  49  -0.737  14.273   8.796
  354   2HD1  ILE  49           HD2      ILE  49  -2.524  14.179   8.594
  355   3HD1  ILE  49           HD3      ILE  49  -1.527  12.676   8.570
  356    H    ARG  50           HN       ARG  50  -2.951  11.450   3.632
  357    HA   ARG  50           HA       ARG  50  -5.793  11.109   3.689
  358   1HB   ARG  50           HB1      ARG  50  -3.795  11.273   1.387
  359   2HB   ARG  50           HB2      ARG  50  -5.570  11.039   1.161
  360   1HG   ARG  50           HG1      ARG  50  -5.575  13.244   0.906
  361   2HG   ARG  50           HG2      ARG  50  -5.809  13.208   2.674
  362   1HD   ARG  50           HD1      ARG  50  -3.275  13.617   2.939
  363   2HD   ARG  50           HD2      ARG  50  -3.159  13.750   1.143
  364    HE   ARG  50           HE       ARG  50  -4.673  15.579   2.976
  365   1HH1  ARG  50          HH21      ARG  50  -4.855  16.192  -1.000
  366   2HH1  ARG  50          HH22      ARG  50  -3.982  14.807  -0.431
  367   1HH2  ARG  50          HH11      ARG  50  -5.759  17.727   0.510
  368   2HH2  ARG  50          HH12      ARG  50  -5.566  17.501   2.217
  369    H    ARG  51           HN       ARG  51  -3.491   8.843   4.194
  370    HA   ARG  51           HA       ARG  51  -4.420   6.787   2.495
  371   1HB   ARG  51           HB1      ARG  51  -3.137   5.171   3.489
  372   2HB   ARG  51           HB2      ARG  51  -2.156   6.630   3.421
  373   1HG   ARG  51           HG1      ARG  51  -3.509   5.376   5.905
  374   2HG   ARG  51           HG2      ARG  51  -1.780   5.332   5.477
  375   1HD   ARG  51           HD1      ARG  51  -1.605   7.821   5.839
  376   2HD   ARG  51           HD2      ARG  51  -3.362   7.884   6.252
  377    HE   ARG  51           HE       ARG  51  -2.941   6.528   8.194
  378   1HH1  ARG  51          HH21      ARG  51   1.028   6.059   7.682
  379   2HH1  ARG  51          HH22      ARG  51   0.171   7.020   6.524
  380   1HH2  ARG  51          HH11      ARG  51  -0.082   5.176   9.543
  381   2HH2  ARG  51          HH12      ARG  51  -1.772   5.475   9.779
  382    H    LYS  52           HN       LYS  52  -5.723   7.955   5.469
  383    HA   LYS  52           HA       LYS  52  -7.301   5.601   5.970
  384   1HB   LYS  52           HB1      LYS  52  -7.881   6.848   8.096
  385   2HB   LYS  52           HB2      LYS  52  -6.188   6.319   7.888
  386   1HG   LYS  52           HG1      LYS  52  -5.444   8.570   7.278
  387   2HG   LYS  52           HG2      LYS  52  -7.127   9.191   7.283
  388   1HD   LYS  52           HD1      LYS  52  -7.279   8.780   9.747
  389   2HD   LYS  52           HD2      LYS  52  -5.650   8.041   9.738
  390   1HE   LYS  52           HE1      LYS  52  -5.515  10.365  10.593
  391   2HE   LYS  52           HE2      LYS  52  -4.630  10.236   9.026
  392   1HZ   LYS  52           HZ1      LYS  52  -5.959  12.196   9.177
  393   2HZ   LYS  52           HZ2      LYS  52  -6.524  11.183   7.936
  394   3HZ   LYS  52           HZ3      LYS  52  -7.374  11.284   9.403
  395    H    ASN  53           HN       ASN  53  -7.672   7.335   3.705
  396    HA   ASN  53           HA       ASN  53 -10.430   8.214   4.073
  397   1HB   ASN  53           HB1      ASN  53  -8.452   9.242   1.909
  398   2HB   ASN  53           HB2      ASN  53 -10.164   9.696   2.049
  399   1HD2  ASN  53          HD21      ASN  53  -8.187  12.488   3.505
  400   2HD2  ASN  53          HD22      ASN  53  -8.333  11.704   1.971
  401    H    CYS  54           HN       CYS  54  -7.985   6.319   2.381
  402    HA   CYS  54           HA       CYS  54  -9.979   4.662   1.171
  403   1HB   CYS  54           HB1      CYS  54  -9.978   6.468  -0.464
  404   2HB   CYS  54           HB2      CYS  54  -8.208   6.543  -0.488
  405    HA   PRO  55           HA       PRO  55  -5.993   2.443   1.480
  406   1HB   PRO  55           HB1      PRO  55  -6.840   0.145   2.590
  407   2HB   PRO  55           HB2      PRO  55  -6.957   1.633   3.491
  408   1HG   PRO  55           HG1      PRO  55  -9.172   0.249   1.977
  409   2HG   PRO  55           HG2      PRO  55  -9.221   0.928   3.595
  410   1HD   PRO  55           HD1      PRO  55 -10.018   2.258   1.218
  411   2HD   PRO  55           HD2      PRO  55  -9.652   3.060   2.753
  412    H    ALA  56           HN       ALA  56  -7.721   2.709  -1.083
  413    HA   ALA  56           HA       ALA  56  -7.478   0.049  -2.206
  414   1HB   ALA  56           HB1      ALA  56  -9.081   0.760  -3.894
  415   2HB   ALA  56           HB2      ALA  56  -9.741   1.343  -2.302
  416   3HB   ALA  56           HB3      ALA  56  -8.888   2.475  -3.371
  417    H    CYS  57           HN       CYS  57  -6.884   3.549  -2.734
  418    HA   CYS  57           HA       CYS  57  -5.302   3.463  -4.940
  419   1HB   CYS  57           HB1      CYS  57  -5.574   5.332  -2.593
  420   2HB   CYS  57           HB2      CYS  57  -4.420   5.708  -3.868
  421    H    ARG  58           HN       ARG  58  -4.508   2.961  -1.618
  422    HA   ARG  58           HA       ARG  58  -1.810   2.997  -1.533
  423   1HB   ARG  58           HB1      ARG  58  -3.921   1.244  -0.147
  424   2HB   ARG  58           HB2      ARG  58  -2.195   1.047   0.283
  425   1HG   ARG  58           HG1      ARG  58  -3.169   3.846   0.374
  426   2HG   ARG  58           HG2      ARG  58  -3.982   2.770   1.521
  427   1HD   ARG  58           HD1      ARG  58  -0.905   2.999   1.300
  428   2HD   ARG  58           HD2      ARG  58  -1.899   3.928   2.478
  429    HE   ARG  58           HE       ARG  58  -1.551   0.948   2.393
  430   1HH1  ARG  58          HH21      ARG  58  -4.021   2.518   5.153
  431   2HH1  ARG  58          HH22      ARG  58  -3.291   3.597   4.012
  432   1HH2  ARG  58          HH11      ARG  58  -3.449   0.253   5.176
  433   2HH2  ARG  58          HH12      ARG  58  -2.291  -0.373   4.051
  434    H    TYR  59           HN       TYR  59  -4.001   0.398  -2.679
  435    HA   TYR  59           HA       TYR  59  -1.982  -1.602  -2.820
  436   1HB   TYR  59           HB1      TYR  59  -4.420  -2.107  -2.462
  437   2HB   TYR  59           HB2      TYR  59  -4.779  -1.478  -4.092
  438    HD1  TYR  59           HD2      TYR  59  -2.052  -3.856  -2.844
  439    HD2  TYR  59           HD1      TYR  59  -5.400  -3.225  -5.477
  440    HE1  TYR  59           HE2      TYR  59  -1.673  -6.071  -3.869
  441    HE2  TYR  59           HE1      TYR  59  -5.025  -5.443  -6.480
  442    HH   TYR  59           HH       TYR  59  -3.782  -7.309  -6.490
  443    H    ARG  60           HN       ARG  60  -3.528   0.703  -5.022
  444    HA   ARG  60           HA       ARG  60  -2.282  -0.095  -7.365
  445   1HB   ARG  60           HB1      ARG  60  -3.372   2.695  -6.729
  446   2HB   ARG  60           HB2      ARG  60  -3.131   1.982  -8.352
  447   1HG   ARG  60           HG1      ARG  60  -4.918   0.284  -7.885
  448   2HG   ARG  60           HG2      ARG  60  -5.089   0.900  -6.224
  449   1HD   ARG  60           HD1      ARG  60  -6.926   1.883  -7.401
  450   2HD   ARG  60           HD2      ARG  60  -5.721   3.202  -7.191
  451    HE   ARG  60           HE       ARG  60  -5.066   2.955  -9.507
  452   1HH1  ARG  60          HH21      ARG  60  -7.609  -0.031 -10.443
  453   2HH1  ARG  60          HH22      ARG  60  -7.599   0.550  -8.810
  454   1HH2  ARG  60          HH11      ARG  60  -6.266   0.989 -12.070
  455   2HH2  ARG  60          HH12      ARG  60  -5.253   2.331 -11.654
  456    H    LYS  61           HN       LYS  61  -1.407   2.232  -4.852
  457    HA   LYS  61           HA       LYS  61   0.636   3.481  -6.193
  458   1HB   LYS  61           HB1      LYS  61  -0.788   4.420  -4.349
  459   2HB   LYS  61           HB2      LYS  61  -0.046   3.278  -3.208
  460   1HG   LYS  61           HG1      LYS  61   0.994   5.343  -2.821
  461   2HG   LYS  61           HG2      LYS  61   2.212   4.426  -3.762
  462   1HD   LYS  61           HD1      LYS  61   1.195   5.697  -5.866
  463   2HD   LYS  61           HD2      LYS  61   0.360   6.717  -4.655
  464   1HE   LYS  61           HE1      LYS  61   2.400   7.895  -5.313
  465   2HE   LYS  61           HE2      LYS  61   2.696   7.263  -3.649
  466   1HZ   LYS  61           HZ1      LYS  61   4.544   6.907  -5.080
  467   2HZ   LYS  61           HZ2      LYS  61   3.864   5.413  -4.645
  468   3HZ   LYS  61           HZ3      LYS  61   3.597   6.049  -6.196
  469    H    CYS  62           HN       CYS  62   0.724   0.957  -3.737
  470    HA   CYS  62           HA       CYS  62   3.475   0.730  -3.633
  471   1HB   CYS  62           HB1      CYS  62   3.243  -1.209  -2.274
  472   2HB   CYS  62           HB2      CYS  62   2.029  -0.023  -1.814
  473    HG1  CYS  62           HG1      CYS  62   1.025  -2.385  -1.517
  474    H    LEU  63           HN       LEU  63   1.130  -0.878  -5.742
  475    HA   LEU  63           HA       LEU  63   2.893  -2.657  -6.944
  476   1HB   LEU  63           HB1      LEU  63   0.202  -1.487  -7.770
  477   2HB   LEU  63           HB2      LEU  63   1.088  -2.557  -8.896
  478    HG   LEU  63           HG       LEU  63   0.317  -3.389  -6.041
  479   1HD1  LEU  63          HD11      LEU  63  -1.512  -4.714  -7.081
  480   2HD1  LEU  63          HD12      LEU  63  -1.735  -2.954  -7.385
  481   3HD1  LEU  63          HD13      LEU  63  -1.120  -4.024  -8.698
  482   1HD2  LEU  63          HD21      LEU  63   0.746  -5.723  -6.947
  483   2HD2  LEU  63          HD22      LEU  63   1.403  -4.987  -8.450
  484   3HD2  LEU  63          HD23      LEU  63   2.223  -4.703  -6.870
  485    H    GLN  64           HN       GLN  64   2.021   0.745  -7.716
  486    HA   GLN  64           HA       GLN  64   3.429   0.911 -10.096
  487   1HB   GLN  64           HB1      GLN  64   2.471   3.004  -8.104
  488   2HB   GLN  64           HB2      GLN  64   3.410   3.499  -9.529
  489   1HG   GLN  64           HG1      GLN  64   0.801   1.850  -9.752
  490   2HG   GLN  64           HG2      GLN  64   0.834   3.642  -9.714
  491   1HE2  GLN  64          HE21      GLN  64   2.288   4.724 -11.417
  492   2HE2  GLN  64          HE22      GLN  64   2.349   4.010 -12.994
  493    H    ALA  65           HN       ALA  65   4.356   1.265  -6.783
  494    HA   ALA  65           HA       ALA  65   6.881   2.370  -7.126
  495   1HB   ALA  65           HB1      ALA  65   7.347   1.836  -4.780
  496   2HB   ALA  65           HB2      ALA  65   5.686   2.492  -4.959
  497   3HB   ALA  65           HB3      ALA  65   5.921   0.731  -4.731
  498    H    GLY  66           HN       GLY  66   5.756  -0.911  -7.220
  499   1HA   GLY  66           HA1      GLY  66   6.917  -2.270  -8.788
  500   2HA   GLY  66           HA2      GLY  66   8.466  -1.834  -7.982
  501    H    MET  67           HN       MET  67   5.510  -2.448  -6.126
  502    HA   MET  67           HA       MET  67   6.786  -4.373  -4.559
  503   1HB   MET  67           HB1      MET  67   3.892  -3.494  -4.697
  504   2HB   MET  67           HB2      MET  67   4.298  -4.987  -3.824
  505   1HG   MET  67           HG1      MET  67   6.163  -3.555  -2.611
  506   2HG   MET  67           HG2      MET  67   5.190  -2.148  -3.135
  507   1HE   MET  67           HE1      MET  67   5.578  -5.162  -0.722
  508   2HE   MET  67           HE2      MET  67   4.480  -4.526   0.579
  509   3HE   MET  67           HE3      MET  67   5.822  -3.491  -0.058
  510    H    ASN  68           HN       ASN  68   6.515  -6.689  -4.296
  511    HA   ASN  68           HA       ASN  68   4.735  -8.094  -5.938
  512   1HB   ASN  68           HB1      ASN  68   6.960  -7.472  -7.498
  513   2HB   ASN  68           HB2      ASN  68   7.622  -8.869  -6.665
  514   1HD2  ASN  68          HD21      ASN  68   4.700 -10.954  -8.085
  515   2HD2  ASN  68          HD22      ASN  68   4.889 -10.247  -6.507
  516    H    LEU  69           HN       LEU  69   4.345  -9.864  -4.776
  517    HA   LEU  69           HA       LEU  69   5.923 -10.379  -2.427
  518   1HB   LEU  69           HB1      LEU  69   3.724  -9.978  -1.859
  519   2HB   LEU  69           HB2      LEU  69   3.091 -10.775  -3.335
  520    HG   LEU  69           HG       LEU  69   3.530 -13.027  -2.276
  521   1HD1  LEU  69          HD11      LEU  69   3.960 -13.203   0.146
  522   2HD1  LEU  69          HD12      LEU  69   5.313 -12.276  -0.597
  523   3HD1  LEU  69          HD13      LEU  69   4.012 -11.411   0.306
  524   1HD2  LEU  69          HD21      LEU  69   1.575 -12.955  -0.790
  525   2HD2  LEU  69          HD22      LEU  69   1.676 -11.156  -0.713
  526   3HD2  LEU  69          HD23      LEU  69   1.298 -11.973  -2.273
  527    H    GLU  70           HN       GLU  70   6.799 -11.014  -5.074
  528    HA   GLU  70           HA       GLU  70   7.967 -13.532  -4.589
  529   1HB   GLU  70           HB1      GLU  70   6.480 -13.079  -7.244
  530   2HB   GLU  70           HB2      GLU  70   7.630 -14.416  -6.879
  531   1HG   GLU  70           HG1      GLU  70   6.010 -15.183  -5.027
  532   2HG   GLU  70           HG2      GLU  70   4.834 -13.956  -5.611
  533    H    ALA  71           HN       ALA  71   9.025 -11.433  -4.056
  534    HA   ALA  71           HA       ALA  71  10.666 -10.427  -6.280
  535   1HB   ALA  71           HB1      ALA  71  10.835  -8.262  -4.909
  536   2HB   ALA  71           HB2      ALA  71   9.200  -8.569  -5.550
  537   3HB   ALA  71           HB3      ALA  71   9.561  -8.935  -3.840
  538    H    ARG  72           HN       ARG  72  11.261  -9.431  -3.067
  539    HA   ARG  72           HA       ARG  72  13.360 -11.462  -2.617
  540   1HB   ARG  72           HB1      ARG  72  13.227  -8.473  -1.976
  541   2HB   ARG  72           HB2      ARG  72  14.215  -9.566  -0.970
  542   1HG   ARG  72           HG1      ARG  72  15.605  -8.443  -2.622
  543   2HG   ARG  72           HG2      ARG  72  15.631 -10.214  -2.812
  544   1HD   ARG  72           HD1      ARG  72  15.651  -9.028  -5.009
  545   2HD   ARG  72           HD2      ARG  72  14.195 -10.082  -4.837
  546    HE   ARG  72           HE       ARG  72  14.120  -7.124  -4.243
  547   1HH1  ARG  72          HH21      ARG  72  12.680  -8.481  -7.749
  548   2HH1  ARG  72          HH22      ARG  72  13.445  -9.616  -6.688
  549   1HH2  ARG  72          HH11      ARG  72  12.855  -5.740  -5.507
  550   2HH2  ARG  72          HH12      ARG  72  12.343  -6.270  -7.075
   
  No H/Q in entry =         550
  Start of MODEL    5
    1   1H    LEU   1           HT1      LEU   1  12.009   4.417   4.139
    2   2H    LEU   1           HT2      LEU   1  12.531   5.088   2.669
    3   3H    LEU   1           HT3      LEU   1  12.644   5.992   4.102
    4    HA   LEU   1           HA       LEU   1  10.296   6.006   4.323
    5   1HB   LEU   1           HB1      LEU   1  11.253   6.926   1.530
    6   2HB   LEU   1           HB2      LEU   1   9.732   7.465   2.299
    7    HG   LEU   1           HG       LEU   1  12.562   8.031   3.347
    8   1HD1  LEU   1          HD11      LEU   1  10.550   9.887   1.923
    9   2HD1  LEU   1          HD12      LEU   1  12.147  10.368   2.605
   10   3HD1  LEU   1          HD13      LEU   1  12.070   9.219   1.223
   11   1HD2  LEU   1          HD21      LEU   1  11.008   7.958   5.245
   12   2HD2  LEU   1          HD22      LEU   1  11.425   9.666   4.894
   13   3HD2  LEU   1          HD23      LEU   1   9.822   9.015   4.385
   14    H    CYS   2           HN       CYS   2   8.265   5.229   3.812
   15    HA   CYS   2           HA       CYS   2   7.796   2.974   2.291
   16   1HB   CYS   2           HB1      CYS   2   6.511   3.523   4.359
   17   2HB   CYS   2           HB2      CYS   2   5.868   5.023   3.528
   18    H    LEU   3           HN       LEU   3   7.112   2.867   0.107
   19    HA   LEU   3           HA       LEU   3   7.176   5.450  -1.182
   20   1HB   LEU   3           HB1      LEU   3   7.741   2.619  -2.056
   21   2HB   LEU   3           HB2      LEU   3   7.700   3.941  -3.281
   22    HG   LEU   3           HG       LEU   3   9.526   3.971  -0.822
   23   1HD1  LEU   3          HD11      LEU   3  11.436   3.426  -2.386
   24   2HD1  LEU   3          HD12      LEU   3  10.277   2.081  -2.169
   25   3HD1  LEU   3          HD13      LEU   3  10.239   3.063  -3.684
   26   1HD2  LEU   3          HD21      LEU   3  10.786   5.757  -2.051
   27   2HD2  LEU   3          HD22      LEU   3   9.574   5.696  -3.383
   28   3HD2  LEU   3          HD23      LEU   3   9.085   6.238  -1.736
   29    H    VAL   4           HN       VAL   4   4.977   4.120   0.108
   30    HA   VAL   4           HA       VAL   4   2.994   4.018  -2.069
   31    HB   VAL   4           HB       VAL   4   2.733   2.607   0.615
   32   1HG1  VAL   4          HG21      VAL   4   1.119   2.315  -1.952
   33   2HG1  VAL   4          HG22      VAL   4   0.911   1.357  -0.423
   34   3HG1  VAL   4          HG23      VAL   4   0.610   3.129  -0.425
   35   1HG2  VAL   4          HG11      VAL   4   3.862   1.451  -1.952
   36   2HG2  VAL   4          HG12      VAL   4   4.670   1.664  -0.370
   37   3HG2  VAL   4          HG13      VAL   4   3.314   0.491  -0.507
   38    H    CYS   5           HN       CYS   5   3.186   4.496   1.458
   39    HA   CYS   5           HA       CYS   5   1.140   6.612   1.147
   40   1HB   CYS   5           HB1      CYS   5   0.215   6.213   3.267
   41   2HB   CYS   5           HB2      CYS   5   0.214   4.724   2.334
   42    H    SER   6           HN       SER   6   4.126   6.441   0.984
   43    HA   SER   6           HA       SER   6   5.921   7.643   1.514
   44   1HB   SER   6           HB1      SER   6   4.104   9.980   1.139
   45   2HB   SER   6           HB2      SER   6   5.817   9.808   0.573
   46    HG   SER   6           HG1      SER   6   4.959   8.162  -0.807
   47    H    ASP   7           HN       ASP   7   5.754   6.781   3.728
   48    HA   ASP   7           HA       ASP   7   5.928   8.951   5.735
   49   1HB   ASP   7           HB1      ASP   7   3.778   7.502   5.728
   50   2HB   ASP   7           HB2      ASP   7   4.765   6.066   5.929
   51    H    GLU   8           HN       GLU   8   7.332   7.854   7.664
   52    HA   GLU   8           HA       GLU   8   9.707   6.933   6.575
   53   1HB   GLU   8           HB1      GLU   8   9.295   6.536   9.512
   54   2HB   GLU   8           HB2      GLU   8  10.719   7.126   8.625
   55   1HG   GLU   8           HG1      GLU   8   8.078   8.687   9.178
   56   2HG   GLU   8           HG2      GLU   8   9.598   8.844  10.104
   57    H    ALA   9           HN       ALA   9  10.280   4.901   5.882
   58    HA   ALA   9           HA       ALA   9   8.529   2.720   6.495
   59   1HB   ALA   9           HB1      ALA   9  10.333   1.422   4.992
   60   2HB   ALA   9           HB2      ALA   9   9.162   2.525   4.228
   61   3HB   ALA   9           HB3      ALA   9  10.859   3.074   4.583
   62    H    SER  10           HN       SER  10   9.288   0.615   7.227
   63    HA   SER  10           HA       SER  10  11.527   0.799   9.110
   64   1HB   SER  10           HB1      SER  10  10.200  -0.638  10.695
   65   2HB   SER  10           HB2      SER  10   9.517   0.994  10.433
   66    HG   SER  10           HG1      SER  10   7.929  -0.539  10.343
   67    H    GLY  11           HN       GLY  11  11.789  -0.036   6.422
   68   1HA   GLY  11           HA1      GLY  11  13.309  -1.652   5.807
   69   2HA   GLY  11           HA2      GLY  11  12.460  -2.884   6.814
   70    H    CYS  12           HN       CYS  12  13.155  -3.046   3.972
   71    HA   CYS  12           HA       CYS  12  10.713  -2.720   2.495
   72   1HB   CYS  12           HB1      CYS  12  12.008  -3.758   0.597
   73   2HB   CYS  12           HB2      CYS  12  12.735  -2.280   1.262
   74    HG1  CYS  12           HG1      CYS  12  14.463  -3.524   2.850
   75    H    HIS  13           HN       HIS  13   9.405  -4.446   1.606
   76    HA   HIS  13           HA       HIS  13   9.951  -7.138   2.495
   77   1HB   HIS  13           HB1      HIS  13   7.431  -5.628   3.490
   78   2HB   HIS  13           HB2      HIS  13   7.641  -7.412   3.491
   79    HD2  HIS  13           HD2      HIS  13   9.223  -8.538   5.440
   80    HE1  HIS  13           HE1      HIS  13   9.914  -4.931   7.540
   81    HE2  HIS  13           HE2      HIS  13  10.171  -7.473   7.580
   82    H    TYR  14           HN       TYR  14   9.315  -8.402   0.841
   83    HA   TYR  14           HA       TYR  14   8.273  -9.171  -0.849
   84   1HB   TYR  14           HB1      TYR  14   6.338  -6.808  -1.080
   85   2HB   TYR  14           HB2      TYR  14   6.130  -8.354  -1.819
   86    HD1  TYR  14           HD1      TYR  14   6.642 -10.511  -0.015
   87    HD2  TYR  14           HD2      TYR  14   4.771  -6.770   0.815
   88    HE1  TYR  14           HE1      TYR  14   5.816 -11.429   2.076
   89    HE2  TYR  14           HE2      TYR  14   3.960  -7.674   2.935
   90    HH   TYR  14           HH       TYR  14   3.866  -9.406   4.334
   91    H    GLY  15           HN       GLY  15   7.703  -6.405  -2.732
   92   1HA   GLY  15           HA1      GLY  15  10.395  -6.683  -3.849
   93   2HA   GLY  15           HA2      GLY  15   8.928  -5.977  -4.573
   94    H    VAL  16           HN       VAL  16   8.716  -4.204  -1.854
   95    HA   VAL  16           HA       VAL  16  10.748  -2.246  -2.757
   96    HB   VAL  16           HB       VAL  16   7.804  -1.648  -2.250
   97   1HG1  VAL  16          HG21      VAL  16   9.918   0.161  -3.498
   98   2HG1  VAL  16          HG22      VAL  16   8.135   0.423  -3.568
   99   3HG1  VAL  16          HG23      VAL  16   8.942   0.419  -1.983
  100   1HG2  VAL  16          HG11      VAL  16   9.119  -1.840  -5.033
  101   2HG2  VAL  16          HG12      VAL  16   8.036  -3.081  -4.316
  102   3HG2  VAL  16          HG13      VAL  16   7.395  -1.447  -4.649
  103    H    LEU  17           HN       LEU  17  11.040  -0.530  -1.416
  104    HA   LEU  17           HA       LEU  17  11.086  -0.941   1.367
  105   1HB   LEU  17           HB1      LEU  17  12.850   0.338   0.124
  106   2HB   LEU  17           HB2      LEU  17  11.662   1.620  -0.219
  107    HG   LEU  17           HG       LEU  17  11.444   2.079   2.238
  108   1HD1  LEU  17          HD11      LEU  17  13.079   1.105   3.872
  109   2HD1  LEU  17          HD12      LEU  17  11.905  -0.095   3.240
  110   3HD1  LEU  17          HD13      LEU  17  13.601  -0.084   2.620
  111   1HD2  LEU  17          HD21      LEU  17  13.672   3.134   2.568
  112   2HD2  LEU  17          HD22      LEU  17  14.355   2.142   1.228
  113   3HD2  LEU  17          HD23      LEU  17  13.077   3.366   0.885
  114    H    THR  18           HN       THR  18   9.117  -1.146   2.275
  115    HA   THR  18           HA       THR  18   7.156   1.040   1.969
  116    HB   THR  18           HB       THR  18   5.623  -1.137   2.854
  117    HG1  THR  18           HG1      THR  18   6.333  -3.017   1.923
  118   1HG2  THR  18          HG21      THR  18   4.974  -1.768   0.583
  119   2HG2  THR  18          HG22      THR  18   5.084   0.017   0.835
  120   3HG2  THR  18          HG23      THR  18   6.381  -0.849  -0.099
  121    H    CYS  19           HN       CYS  19   5.632   0.867   3.931
  122    HA   CYS  19           HA       CYS  19   7.359   1.220   6.187
  123   1HB   CYS  19           HB1      CYS  19   5.543   2.056   7.505
  124   2HB   CYS  19           HB2      CYS  19   5.795   2.936   6.055
  125    H    GLY  20           HN       GLY  20   5.247   0.376   8.193
  126   1HA   GLY  20           HA1      GLY  20   5.998  -2.437   8.408
  127   2HA   GLY  20           HA2      GLY  20   5.176  -1.365   9.606
  128    H    SER  21           HN       SER  21   3.122  -0.309   8.250
  129    HA   SER  21           HA       SER  21   1.277  -2.440   8.226
  130   1HB   SER  21           HB1      SER  21  -0.503  -0.759   7.850
  131   2HB   SER  21           HB2      SER  21   0.601  -0.348   9.200
  132    HG   SER  21           HG1      SER  21   1.719   1.007   7.726
  133    H    CYS  22           HN       CYS  22   2.816  -0.728   5.473
  134    HA   CYS  22           HA       CYS  22   0.955  -1.527   3.566
  135   1HB   CYS  22           HB1      CYS  22   3.720  -0.383   3.290
  136   2HB   CYS  22           HB2      CYS  22   2.804  -0.944   1.851
  137    H    LYS  23           HN       LYS  23   3.538  -3.200   4.998
  138    HA   LYS  23           HA       LYS  23   3.977  -5.226   3.200
  139   1HB   LYS  23           HB1      LYS  23   5.462  -4.769   5.144
  140   2HB   LYS  23           HB2      LYS  23   4.144  -5.188   6.260
  141   1HG   LYS  23           HG1      LYS  23   4.229  -7.598   5.306
  142   2HG   LYS  23           HG2      LYS  23   5.723  -7.121   4.451
  143   1HD   LYS  23           HD1      LYS  23   6.776  -6.513   6.646
  144   2HD   LYS  23           HD2      LYS  23   5.274  -6.924   7.508
  145   1HE   LYS  23           HE1      LYS  23   6.888  -8.975   5.830
  146   2HE   LYS  23           HE2      LYS  23   7.083  -8.732   7.609
  147   1HZ   LYS  23           HZ1      LYS  23   5.637 -10.526   7.123
  148   2HZ   LYS  23           HZ2      LYS  23   4.776  -9.276   7.883
  149   3HZ   LYS  23           HZ3      LYS  23   4.604  -9.532   6.213
  150    H    VAL  24           HN       VAL  24   2.082  -5.264   6.151
  151    HA   VAL  24           HA       VAL  24   0.751  -7.640   5.819
  152    HB   VAL  24           HB       VAL  24  -0.147  -5.159   7.433
  153   1HG1  VAL  24          HG21      VAL  24  -0.760  -8.120   8.037
  154   2HG1  VAL  24          HG22      VAL  24  -1.198  -6.689   9.061
  155   3HG1  VAL  24          HG23      VAL  24  -1.926  -6.890   7.429
  156   1HG2  VAL  24          HG11      VAL  24   1.855  -7.313   8.324
  157   2HG2  VAL  24          HG12      VAL  24   2.176  -5.559   8.021
  158   3HG2  VAL  24          HG13      VAL  24   1.127  -6.047   9.383
  159    H    PHE  25           HN       PHE  25  -0.162  -4.442   4.958
  160    HA   PHE  25           HA       PHE  25  -2.808  -4.644   4.289
  161   1HB   PHE  25           HB1      PHE  25  -1.577  -2.509   4.548
  162   2HB   PHE  25           HB2      PHE  25  -0.459  -2.956   3.253
  163    HD1  PHE  25           HD1      PHE  25  -4.271  -2.604   3.616
  164    HD2  PHE  25           HD2      PHE  25  -0.703  -1.964   1.289
  165    HE1  PHE  25           HE1      PHE  25  -5.630  -1.720   1.750
  166    HE2  PHE  25           HE2      PHE  25  -2.024  -1.132  -0.542
  167    HZ   PHE  25           HZ       PHE  25  -4.526  -1.005  -0.366
  168    H    PHE  26           HN       PHE  26   0.068  -4.764   2.303
  169    HA   PHE  26           HA       PHE  26  -1.047  -5.393  -0.126
  170   1HB   PHE  26           HB1      PHE  26   1.148  -4.326   0.079
  171   2HB   PHE  26           HB2      PHE  26   1.824  -5.794   0.847
  172    HD1  PHE  26           HD2      PHE  26   0.002  -4.798  -2.356
  173    HD2  PHE  26           HD1      PHE  26   2.997  -7.251  -0.509
  174    HE1  PHE  26           HE2      PHE  26   0.742  -5.566  -4.575
  175    HE2  PHE  26           HE1      PHE  26   3.768  -7.978  -2.720
  176    HZ   PHE  26           HZ       PHE  26   2.629  -7.230  -4.762
  177    H    LYS  27           HN       LYS  27   0.336  -7.514   2.322
  178    HA   LYS  27           HA       LYS  27   0.205  -9.905   0.949
  179   1HB   LYS  27           HB1      LYS  27   1.733  -9.535   2.748
  180   2HB   LYS  27           HB2      LYS  27   0.396  -9.158   3.894
  181   1HG   LYS  27           HG1      LYS  27   1.224 -11.280   4.474
  182   2HG   LYS  27           HG2      LYS  27  -0.339 -11.625   3.703
  183   1HD   LYS  27           HD1      LYS  27   0.643 -12.849   2.002
  184   2HD   LYS  27           HD2      LYS  27   1.948 -11.641   1.758
  185   1HE   LYS  27           HE1      LYS  27   3.181 -12.445   3.716
  186   2HE   LYS  27           HE2      LYS  27   1.903 -13.670   4.079
  187   1HZ   LYS  27           HZ1      LYS  27   2.362 -14.700   1.977
  188   2HZ   LYS  27           HZ2      LYS  27   3.559 -13.547   1.629
  189   3HZ   LYS  27           HZ3      LYS  27   3.762 -14.614   2.934
  190    H    ARG  28           HN       ARG  28  -2.309  -8.134   2.686
  191    HA   ARG  28           HA       ARG  28  -4.194 -10.339   2.512
  192   1HB   ARG  28           HB1      ARG  28  -4.114  -7.629   3.821
  193   2HB   ARG  28           HB2      ARG  28  -5.719  -8.110   3.218
  194   1HG   ARG  28           HG1      ARG  28  -5.590  -8.747   5.498
  195   2HG   ARG  28           HG2      ARG  28  -5.661 -10.214   4.474
  196   1HD   ARG  28           HD1      ARG  28  -3.212 -10.620   4.803
  197   2HD   ARG  28           HD2      ARG  28  -3.043  -9.089   5.742
  198    HE   ARG  28           HE       ARG  28  -4.579 -11.539   6.562
  199   1HH1  ARG  28          HH21      ARG  28  -4.553  -8.322   8.991
  200   2HH1  ARG  28          HH22      ARG  28  -3.686  -8.217   7.495
  201   1HH2  ARG  28          HH11      ARG  28  -5.591 -10.327   9.620
  202   2HH2  ARG  28          HH12      ARG  28  -5.501 -11.719   8.593
  203    H    ALA  29           HN       ALA  29  -3.505  -7.258   1.054
  204    HA   ALA  29           HA       ALA  29  -5.726  -6.959  -0.575
  205   1HB   ALA  29           HB1      ALA  29  -4.428  -5.126  -1.662
  206   2HB   ALA  29           HB2      ALA  29  -4.213  -5.084   0.113
  207   3HB   ALA  29           HB3      ALA  29  -2.914  -5.789  -0.912
  208    H    VAL  30           HN       VAL  30  -3.092  -9.039  -0.996
  209    HA   VAL  30           HA       VAL  30  -3.340  -9.206  -3.910
  210    HB   VAL  30           HB       VAL  30  -1.268 -10.225  -1.921
  211   1HG1  VAL  30          HG21      VAL  30  -1.323 -10.698  -4.964
  212   2HG1  VAL  30          HG22      VAL  30   0.062 -11.087  -3.862
  213   3HG1  VAL  30          HG23      VAL  30  -1.513 -11.954  -3.678
  214   1HG2  VAL  30          HG11      VAL  30  -0.666  -8.358  -4.276
  215   2HG2  VAL  30          HG12      VAL  30  -1.217  -7.719  -2.698
  216   3HG2  VAL  30          HG13      VAL  30   0.284  -8.688  -2.771
  217    H    GLU  31           HN       GLU  31  -2.802 -11.405  -1.213
  218    HA   GLU  31           HA       GLU  31  -4.471 -13.444  -2.495
  219   1HB   GLU  31           HB1      GLU  31  -3.286 -15.115  -1.117
  220   2HB   GLU  31           HB2      GLU  31  -2.324 -14.281  -2.365
  221   1HG   GLU  31           HG1      GLU  31  -1.281 -12.788  -0.697
  222   2HG   GLU  31           HG2      GLU  31  -2.268 -13.504   0.623
  223    H    GLY  32           HN       GLY  32  -6.093 -11.852  -1.654
  224   1HA   GLY  32           HA1      GLY  32  -7.346 -13.181   0.640
  225   2HA   GLY  32           HA2      GLY  32  -7.070 -11.401   0.760
  226    H    GLN  33           HN       GLN  33  -9.413 -11.154   0.883
  227    HA   GLN  33           HA       GLN  33 -10.903 -11.787  -1.525
  228   1HB   GLN  33           HB1      GLN  33 -12.933 -11.374  -0.344
  229   2HB   GLN  33           HB2      GLN  33 -11.948 -12.554   0.539
  230   1HG   GLN  33           HG1      GLN  33 -12.317  -9.568   1.315
  231   2HG   GLN  33           HG2      GLN  33 -13.183 -10.957   2.016
  232   1HE2  GLN  33          HE21      GLN  33 -10.532  -8.902   2.496
  233   2HE2  GLN  33          HE22      GLN  33  -9.619  -9.869   3.607
  234    H    HIS  34           HN       HIS  34  -9.931  -9.149   0.523
  235    HA   HIS  34           HA       HIS  34  -9.388  -7.081   0.145
  236   1HB   HIS  34           HB1      HIS  34 -10.468  -7.000  -2.700
  237   2HB   HIS  34           HB2      HIS  34  -9.229  -5.942  -1.957
  238    HD2  HIS  34           HD2      HIS  34  -7.562  -8.871  -0.732
  239    HE1  HIS  34           HE1      HIS  34  -7.196  -9.536  -4.893
  240    HE2  HIS  34           HE2      HIS  34  -6.420 -10.247  -2.568
  241    H    ASN  35           HN       ASN  35 -10.424  -4.941   0.351
  242    HA   ASN  35           HA       ASN  35 -13.243  -4.773  -0.076
  243   1HB   ASN  35           HB1      ASN  35 -13.811  -4.333   2.405
  244   2HB   ASN  35           HB2      ASN  35 -13.574  -6.024   1.925
  245   1HD2  ASN  35          HD21      ASN  35 -10.947  -6.685   4.186
  246   2HD2  ASN  35          HD22      ASN  35 -12.070  -7.272   3.006
  247    H    TYR  36           HN       TYR  36 -11.291  -3.309  -1.295
  248    HA   TYR  36           HA       TYR  36 -11.705  -0.708  -0.068
  249   1HB   TYR  36           HB1      TYR  36  -9.139  -0.779  -1.469
  250   2HB   TYR  36           HB2      TYR  36  -9.538  -0.208   0.171
  251    HD1  TYR  36           HD1      TYR  36  -9.338  -1.821   2.091
  252    HD2  TYR  36           HD2      TYR  36  -8.218  -2.944  -1.910
  253    HE1  TYR  36           HE1      TYR  36  -8.111  -3.761   2.980
  254    HE2  TYR  36           HE2      TYR  36  -6.981  -4.877  -1.023
  255    HH   TYR  36           HH       TYR  36  -6.878  -5.574   2.511
  256    H    LEU  37           HN       LEU  37  -9.892  -1.209  -3.033
  257    HA   LEU  37           HA       LEU  37 -10.252  -0.976  -5.118
  258   1HB   LEU  37           HB1      LEU  37 -13.233  -1.522  -4.680
  259   2HB   LEU  37           HB2      LEU  37 -12.477  -1.278  -6.272
  260    HG   LEU  37           HG       LEU  37 -12.855  -3.587  -5.931
  261   1HD1  LEU  37          HD11      LEU  37 -10.669  -4.548  -6.446
  262   2HD1  LEU  37          HD12      LEU  37 -10.807  -2.921  -7.206
  263   3HD1  LEU  37          HD13      LEU  37  -9.812  -3.142  -5.718
  264   1HD2  LEU  37          HD21      LEU  37 -11.937  -5.021  -4.216
  265   2HD2  LEU  37          HD22      LEU  37 -11.023  -3.676  -3.458
  266   3HD2  LEU  37          HD23      LEU  37 -12.831  -3.683  -3.415
  267    H    CYS  38           HN       CYS  38 -10.099   0.843  -6.374
  268    HA   CYS  38           HA       CYS  38 -11.936   3.008  -5.871
  269   1HB   CYS  38           HB1      CYS  38  -9.200   3.147  -5.115
  270   2HB   CYS  38           HB2      CYS  38  -9.182   3.904  -6.716
  271    H    ALA  39           HN       ALA  39 -12.515   1.189  -7.355
  272    HA   ALA  39           HA       ALA  39 -11.705   1.379 -10.077
  273   1HB   ALA  39           HB1      ALA  39 -13.523  -0.341 -10.462
  274   2HB   ALA  39           HB2      ALA  39 -12.450  -0.792  -9.093
  275   3HB   ALA  39           HB3      ALA  39 -14.068  -0.074  -8.756
  276    H    GLY  40           HN       GLY  40 -13.807   3.080  -8.065
  277   1HA   GLY  40           HA1      GLY  40 -15.845   3.793  -9.961
  278   2HA   GLY  40           HA2      GLY  40 -15.582   4.384  -8.279
  279    H    ARG  41           HN       ARG  41 -13.128   5.565  -8.239
  280    HA   ARG  41           HA       ARG  41 -13.213   7.568 -10.395
  281   1HB   ARG  41           HB1      ARG  41 -12.802   7.988  -7.400
  282   2HB   ARG  41           HB2      ARG  41 -12.386   9.201  -8.657
  283   1HG   ARG  41           HG1      ARG  41 -15.225   8.091  -8.200
  284   2HG   ARG  41           HG2      ARG  41 -14.561   9.575  -7.459
  285   1HD   ARG  41           HD1      ARG  41 -14.138  10.514  -9.829
  286   2HD   ARG  41           HD2      ARG  41 -14.981   9.061 -10.486
  287    HE   ARG  41           HE       ARG  41 -17.018   9.761  -9.402
  288   1HH1  ARG  41          HH21      ARG  41 -15.578  13.078  -7.624
  289   2HH1  ARG  41          HH22      ARG  41 -14.475  12.098  -8.531
  290   1HH2  ARG  41          HH11      ARG  41 -17.858  12.552  -7.565
  291   2HH2  ARG  41          HH12      ARG  41 -18.464  11.180  -8.428
  292    H    ASN  42           HN       ASN  42 -11.083   7.225  -7.680
  293    HA   ASN  42           HA       ASN  42  -8.994   6.668  -7.384
  294   1HB   ASN  42           HB1      ASN  42  -8.860   4.977  -9.242
  295   2HB   ASN  42           HB2      ASN  42  -8.555   6.284 -10.416
  296   1HD2  ASN  42          HD21      ASN  42  -5.058   6.247  -9.870
  297   2HD2  ASN  42          HD22      ASN  42  -6.402   6.669 -10.876
  298    H    ASP  43           HN       ASP  43  -9.574   8.889  -6.710
  299    HA   ASP  43           HA       ASP  43  -8.246  10.977  -8.293
  300   1HB   ASP  43           HB1      ASP  43  -9.661  12.424  -6.390
  301   2HB   ASP  43           HB2      ASP  43 -10.164  12.091  -8.066
  302    H    CYS  44           HN       CYS  44  -8.936   9.685  -4.983
  303    HA   CYS  44           HA       CYS  44  -7.635  11.494  -3.641
  304   1HB   CYS  44           HB1      CYS  44  -7.486   9.131  -1.984
  305   2HB   CYS  44           HB2      CYS  44  -8.753  10.356  -2.051
  306    H    ILE  45           HN       ILE  45  -5.638  11.750  -2.620
  307    HA   ILE  45           HA       ILE  45  -3.359  10.279  -3.685
  308    HB   ILE  45           HB       ILE  45  -3.563  12.699  -1.795
  309   1HG1  ILE  45          HG11      ILE  45  -4.238  13.319  -4.043
  310   2HG1  ILE  45          HG12      ILE  45  -2.701  14.092  -3.582
  311   1HG2  ILE  45          HG21      ILE  45  -1.074  13.006  -2.093
  312   2HG2  ILE  45          HG22      ILE  45  -1.489  11.534  -1.166
  313   3HG2  ILE  45          HG23      ILE  45  -0.992  11.392  -2.889
  314   1HD1  ILE  45           HD1      ILE  45  -2.623  13.356  -5.946
  315   2HD1  ILE  45           HD2      ILE  45  -1.432  12.406  -4.990
  316   3HD1  ILE  45           HD3      ILE  45  -3.002  11.661  -5.478
  317    H    ILE  46           HN       ILE  46  -2.029   9.060  -2.243
  318    HA   ILE  46           HA       ILE  46  -3.278   8.412   0.343
  319    HB   ILE  46           HB       ILE  46  -2.698   6.744  -1.982
  320   1HG1  ILE  46          HG11      ILE  46  -4.104   5.124  -0.905
  321   2HG1  ILE  46          HG12      ILE  46  -3.946   5.919   0.701
  322   1HG2  ILE  46          HG21      ILE  46  -1.763   4.778  -0.961
  323   2HG2  ILE  46          HG22      ILE  46  -0.547   6.097  -0.958
  324   3HG2  ILE  46          HG23      ILE  46  -1.364   5.663   0.578
  325   1HD1  ILE  46           HD1      ILE  46  -6.109   6.248  -0.696
  326   2HD1  ILE  46           HD2      ILE  46  -5.367   7.717   0.062
  327   3HD1  ILE  46           HD3      ILE  46  -5.146   7.367  -1.716
  328    H    ASP  47           HN       ASP  47  -2.155   8.926   1.964
  329    HA   ASP  47           HA       ASP  47   0.634   8.578   1.947
  330   1HB   ASP  47           HB1      ASP  47   1.450  10.681   2.617
  331   2HB   ASP  47           HB2      ASP  47   0.710  10.819   1.024
  332    H    LYS  48           HN       LYS  48   1.068   9.712   4.476
  333    HA   LYS  48           HA       LYS  48   0.071   7.736   6.086
  334   1HB   LYS  48           HB1      LYS  48   1.153   9.042   7.984
  335   2HB   LYS  48           HB2      LYS  48   2.187   8.670   6.583
  336   1HG   LYS  48           HG1      LYS  48   2.030  10.927   5.701
  337   2HG   LYS  48           HG2      LYS  48   0.767  11.375   6.894
  338   1HD   LYS  48           HD1      LYS  48   2.504  10.922   8.745
  339   2HD   LYS  48           HD2      LYS  48   3.737  10.785   7.453
  340   1HE   LYS  48           HE1      LYS  48   1.978  13.283   8.009
  341   2HE   LYS  48           HE2      LYS  48   3.700  13.074   8.501
  342   1HZ   LYS  48           HZ1      LYS  48   2.671  13.081   5.729
  343   2HZ   LYS  48           HZ2      LYS  48   3.471  14.354   6.521
  344   3HZ   LYS  48           HZ3      LYS  48   4.293  12.902   6.203
  345    H    ILE  49           HN       ILE  49  -1.579  10.570   5.272
  346    HA   ILE  49           HA       ILE  49  -3.311  10.487   7.647
  347    HB   ILE  49           HB       ILE  49  -2.572  12.654   5.641
  348   1HG1  ILE  49          HG11      ILE  49  -1.014  12.482   7.499
  349   2HG1  ILE  49          HG12      ILE  49  -1.923  14.010   7.577
  350   1HG2  ILE  49          HG21      ILE  49  -4.203  14.231   6.712
  351   2HG2  ILE  49          HG22      ILE  49  -4.963  12.882   5.791
  352   3HG2  ILE  49          HG23      ILE  49  -4.936  12.832   7.597
  353   1HD1  ILE  49           HD1      ILE  49  -1.661  13.071   9.845
  354   2HD1  ILE  49           HD2      ILE  49  -3.404  13.018   9.394
  355   3HD1  ILE  49           HD3      ILE  49  -2.408  11.515   9.347
  356    H    ARG  50           HN       ARG  50  -3.239  10.721   4.156
  357    HA   ARG  50           HA       ARG  50  -6.052  10.414   3.851
  358   1HB   ARG  50           HB1      ARG  50  -3.882  10.389   1.713
  359   2HB   ARG  50           HB2      ARG  50  -5.661  10.509   1.434
  360   1HG   ARG  50           HG1      ARG  50  -5.694  12.671   2.748
  361   2HG   ARG  50           HG2      ARG  50  -3.926  12.558   2.945
  362   1HD   ARG  50           HD1      ARG  50  -4.353  14.106   1.102
  363   2HD   ARG  50           HD2      ARG  50  -3.649  12.596   0.418
  364    HE   ARG  50           HE       ARG  50  -5.830  11.947  -0.382
  365   1HH1  ARG  50          HH21      ARG  50  -7.904  15.079   1.068
  366   2HH1  ARG  50          HH22      ARG  50  -6.212  14.984   1.427
  367   1HH2  ARG  50          HH11      ARG  50  -8.904  13.499  -0.342
  368   2HH2  ARG  50          HH12      ARG  50  -7.961  12.223  -1.039
  369    H    ARG  51           HN       ARG  51  -3.802   8.231   4.569
  370    HA   ARG  51           HA       ARG  51  -4.436   5.928   3.114
  371   1HB   ARG  51           HB1      ARG  51  -2.362   5.878   4.157
  372   2HB   ARG  51           HB2      ARG  51  -2.956   6.600   5.672
  373   1HG   ARG  51           HG1      ARG  51  -3.771   3.734   4.940
  374   2HG   ARG  51           HG2      ARG  51  -2.109   4.084   5.505
  375   1HD   ARG  51           HD1      ARG  51  -3.014   5.126   7.609
  376   2HD   ARG  51           HD2      ARG  51  -4.700   4.708   7.088
  377    HE   ARG  51           HE       ARG  51  -3.853   2.311   6.953
  378   1HH1  ARG  51          HH21      ARG  51  -3.561   3.453  10.802
  379   2HH1  ARG  51          HH22      ARG  51  -3.247   4.638   9.580
  380   1HH2  ARG  51          HH11      ARG  51  -3.995   1.227  10.211
  381   2HH2  ARG  51          HH12      ARG  51  -4.004   0.750   8.546
  382    H    LYS  52           HN       LYS  52  -5.861   7.546   5.896
  383    HA   LYS  52           HA       LYS  52  -7.606   5.401   6.577
  384   1HB   LYS  52           HB1      LYS  52  -7.366   8.237   7.714
  385   2HB   LYS  52           HB2      LYS  52  -8.352   6.911   8.413
  386   1HG   LYS  52           HG1      LYS  52  -6.272   5.583   8.847
  387   2HG   LYS  52           HG2      LYS  52  -5.277   6.894   8.134
  388   1HD   LYS  52           HD1      LYS  52  -6.116   8.487   9.889
  389   2HD   LYS  52           HD2      LYS  52  -7.061   7.158  10.635
  390   1HE   LYS  52           HE1      LYS  52  -4.945   5.892  11.123
  391   2HE   LYS  52           HE2      LYS  52  -3.973   7.182  10.314
  392   1HZ   LYS  52           HZ1      LYS  52  -4.002   7.400  12.675
  393   2HZ   LYS  52           HZ2      LYS  52  -4.760   8.729  11.939
  394   3HZ   LYS  52           HZ3      LYS  52  -5.695   7.530  12.694
  395    H    ASN  53           HN       ASN  53  -7.588   7.789   4.207
  396    HA   ASN  53           HA       ASN  53 -10.405   8.401   4.298
  397   1HB   ASN  53           HB1      ASN  53  -8.301   9.290   2.202
  398   2HB   ASN  53           HB2      ASN  53  -9.996   9.795   2.235
  399   1HD2  ASN  53          HD21      ASN  53  -8.274  12.667   3.653
  400   2HD2  ASN  53          HD22      ASN  53  -8.619  11.891   2.147
  401    H    CYS  54           HN       CYS  54  -7.934   6.513   2.580
  402    HA   CYS  54           HA       CYS  54  -9.894   4.818   1.362
  403   1HB   CYS  54           HB1      CYS  54  -9.973   6.610  -0.271
  404   2HB   CYS  54           HB2      CYS  54  -8.211   6.805  -0.267
  405    HA   PRO  55           HA       PRO  55  -5.867   2.691   1.417
  406   1HB   PRO  55           HB1      PRO  55  -6.521   0.449   2.764
  407   2HB   PRO  55           HB2      PRO  55  -6.607   1.984   3.589
  408   1HG   PRO  55           HG1      PRO  55  -8.902   0.438   2.378
  409   2HG   PRO  55           HG2      PRO  55  -8.829   1.223   3.948
  410   1HD   PRO  55           HD1      PRO  55  -9.874   2.362   1.558
  411   2HD   PRO  55           HD2      PRO  55  -9.446   3.267   3.013
  412    H    ALA  56           HN       ALA  56  -7.485   2.908  -1.012
  413    HA   ALA  56           HA       ALA  56  -7.515   0.185  -2.054
  414   1HB   ALA  56           HB1      ALA  56  -9.111   0.951  -3.722
  415   2HB   ALA  56           HB2      ALA  56  -9.789   1.261  -2.071
  416   3HB   ALA  56           HB3      ALA  56  -9.133   2.611  -3.036
  417    H    CYS  57           HN       CYS  57  -6.883   3.667  -2.675
  418    HA   CYS  57           HA       CYS  57  -5.420   3.455  -4.962
  419   1HB   CYS  57           HB1      CYS  57  -5.496   5.407  -2.650
  420   2HB   CYS  57           HB2      CYS  57  -4.436   5.712  -4.021
  421    H    ARG  58           HN       ARG  58  -4.521   3.046  -1.655
  422    HA   ARG  58           HA       ARG  58  -1.807   3.037  -1.720
  423   1HB   ARG  58           HB1      ARG  58  -3.810   1.420  -0.045
  424   2HB   ARG  58           HB2      ARG  58  -2.047   1.171   0.203
  425   1HG   ARG  58           HG1      ARG  58  -1.702   3.484   0.823
  426   2HG   ARG  58           HG2      ARG  58  -3.439   3.842   0.528
  427   1HD   ARG  58           HD1      ARG  58  -3.078   3.621   2.935
  428   2HD   ARG  58           HD2      ARG  58  -4.103   2.248   2.354
  429    HE   ARG  58           HE       ARG  58  -1.140   1.970   2.776
  430   1HH1  ARG  58          HH21      ARG  58  -3.745   0.435   5.448
  431   2HH1  ARG  58          HH22      ARG  58  -4.386   1.269   4.071
  432   1HH2  ARG  58          HH11      ARG  58  -1.449   0.096   5.662
  433   2HH2  ARG  58          HH12      ARG  58  -0.354   0.673   4.450
  434    H    TYR  59           HN       TYR  59  -4.103   0.484  -2.720
  435    HA   TYR  59           HA       TYR  59  -2.171  -1.581  -2.813
  436   1HB   TYR  59           HB1      TYR  59  -4.614  -2.027  -2.496
  437   2HB   TYR  59           HB2      TYR  59  -4.937  -1.408  -4.139
  438    HD1  TYR  59           HD1      TYR  59  -2.221  -3.808  -2.891
  439    HD2  TYR  59           HD2      TYR  59  -5.631  -3.189  -5.448
  440    HE1  TYR  59           HE1      TYR  59  -1.856  -6.023  -3.926
  441    HE2  TYR  59           HE2      TYR  59  -5.265  -5.400  -6.465
  442    HH   TYR  59           HH       TYR  59  -3.984  -7.238  -6.542
  443    H    ARG  60           HN       ARG  60  -3.684   0.623  -5.273
  444    HA   ARG  60           HA       ARG  60  -2.113  -0.442  -7.325
  445   1HB   ARG  60           HB1      ARG  60  -2.944   0.976  -8.858
  446   2HB   ARG  60           HB2      ARG  60  -4.302   0.679  -7.751
  447   1HG   ARG  60           HG1      ARG  60  -4.122   2.907  -6.769
  448   2HG   ARG  60           HG2      ARG  60  -2.552   3.223  -7.553
  449   1HD   ARG  60           HD1      ARG  60  -5.279   3.012  -8.968
  450   2HD   ARG  60           HD2      ARG  60  -4.252   4.482  -8.741
  451    HE   ARG  60           HE       ARG  60  -3.656   2.131 -10.510
  452   1HH1  ARG  60          HH21      ARG  60  -0.934   5.081 -10.259
  453   2HH1  ARG  60          HH22      ARG  60  -2.368   5.221  -9.296
  454   1HH2  ARG  60          HH11      ARG  60  -0.675   3.290 -11.750
  455   2HH2  ARG  60          HH12      ARG  60  -1.919   2.094 -11.901
  456    H    LYS  61           HN       LYS  61  -1.484   2.172  -5.051
  457    HA   LYS  61           HA       LYS  61   0.546   3.356  -6.471
  458   1HB   LYS  61           HB1      LYS  61  -0.963   4.323  -4.687
  459   2HB   LYS  61           HB2      LYS  61   0.095   3.590  -3.454
  460   1HG   LYS  61           HG1      LYS  61   1.976   4.972  -4.203
  461   2HG   LYS  61           HG2      LYS  61   1.114   5.437  -5.702
  462   1HD   LYS  61           HD1      LYS  61   0.289   6.260  -2.853
  463   2HD   LYS  61           HD2      LYS  61   1.203   7.287  -3.988
  464   1HE   LYS  61           HE1      LYS  61  -1.719   6.293  -4.368
  465   2HE   LYS  61           HE2      LYS  61  -1.199   7.944  -3.886
  466   1HZ   LYS  61           HZ1      LYS  61  -0.532   6.613  -6.439
  467   2HZ   LYS  61           HZ2      LYS  61  -1.749   7.772  -6.193
  468   3HZ   LYS  61           HZ3      LYS  61  -0.118   8.194  -5.974
  469    H    CYS  62           HN       CYS  62   0.606   0.973  -3.896
  470    HA   CYS  62           HA       CYS  62   3.348   0.718  -3.740
  471   1HB   CYS  62           HB1      CYS  62   3.047  -1.042  -2.227
  472   2HB   CYS  62           HB2      CYS  62   1.704   0.056  -1.971
  473    HG1  CYS  62           HG1      CYS  62   1.593  -2.744  -3.711
  474    H    LEU  63           HN       LEU  63   0.999  -0.947  -5.806
  475    HA   LEU  63           HA       LEU  63   2.752  -2.772  -6.953
  476   1HB   LEU  63           HB1      LEU  63   0.099  -1.566  -7.874
  477   2HB   LEU  63           HB2      LEU  63   0.975  -2.730  -8.909
  478    HG   LEU  63           HG       LEU  63   0.107  -3.365  -6.031
  479   1HD1  LEU  63          HD11      LEU  63  -1.760  -4.664  -7.054
  480   2HD1  LEU  63          HD12      LEU  63  -1.899  -2.909  -7.425
  481   3HD1  LEU  63          HD13      LEU  63  -1.309  -4.054  -8.686
  482   1HD2  LEU  63          HD21      LEU  63   0.448  -5.759  -6.799
  483   2HD2  LEU  63          HD22      LEU  63   1.166  -5.136  -8.326
  484   3HD2  LEU  63          HD23      LEU  63   1.966  -4.798  -6.745
  485    H    GLN  64           HN       GLN  64   1.937   0.590  -7.716
  486    HA   GLN  64           HA       GLN  64   3.231   0.815 -10.131
  487   1HB   GLN  64           HB1      GLN  64   1.661   2.462  -8.450
  488   2HB   GLN  64           HB2      GLN  64   3.172   3.358  -8.545
  489   1HG   GLN  64           HG1      GLN  64   1.526   2.352 -10.982
  490   2HG   GLN  64           HG2      GLN  64   1.394   3.988 -10.267
  491   1HE2  GLN  64          HE21      GLN  64   3.340   5.413 -10.322
  492   2HE2  GLN  64          HE22      GLN  64   4.511   5.226 -11.583
  493    H    ALA  65           HN       ALA  65   4.262   1.146  -6.849
  494    HA   ALA  65           HA       ALA  65   6.794   2.206  -7.212
  495   1HB   ALA  65           HB1      ALA  65   7.222   1.800  -4.889
  496   2HB   ALA  65           HB2      ALA  65   5.481   2.210  -5.028
  497   3HB   ALA  65           HB3      ALA  65   5.973   0.500  -4.805
  498    H    GLY  66           HN       GLY  66   5.597  -1.047  -7.245
  499   1HA   GLY  66           HA1      GLY  66   6.657  -2.503  -8.781
  500   2HA   GLY  66           HA2      GLY  66   8.247  -2.085  -8.046
  501    H    MET  67           HN       MET  67   5.378  -2.511  -6.011
  502    HA   MET  67           HA       MET  67   6.636  -4.434  -4.432
  503   1HB   MET  67           HB1      MET  67   3.748  -3.536  -4.537
  504   2HB   MET  67           HB2      MET  67   4.232  -4.877  -3.468
  505   1HG   MET  67           HG1      MET  67   5.498  -2.080  -3.320
  506   2HG   MET  67           HG2      MET  67   4.103  -2.648  -2.359
  507   1HE   MET  67           HE1      MET  67   3.973  -3.925  -0.413
  508   2HE   MET  67           HE2      MET  67   5.314  -4.629   0.526
  509   3HE   MET  67           HE3      MET  67   4.672  -5.531  -0.903
  510    H    ASN  68           HN       ASN  68   6.329  -6.718  -4.130
  511    HA   ASN  68           HA       ASN  68   4.596  -8.148  -5.877
  512   1HB   ASN  68           HB1      ASN  68   6.500  -7.484  -7.485
  513   2HB   ASN  68           HB2      ASN  68   7.644  -8.135  -6.451
  514   1HD2  ASN  68          HD21      ASN  68   5.040 -11.023  -8.076
  515   2HD2  ASN  68          HD22      ASN  68   4.434  -9.656  -7.183
  516    H    LEU  69           HN       LEU  69   4.080  -9.859  -4.685
  517    HA   LEU  69           HA       LEU  69   5.719 -10.514  -2.368
  518   1HB   LEU  69           HB1      LEU  69   3.746  -9.800  -1.563
  519   2HB   LEU  69           HB2      LEU  69   2.837 -10.301  -3.020
  520    HG   LEU  69           HG       LEU  69   2.716 -12.624  -2.221
  521   1HD1  LEU  69          HD11      LEU  69   3.502 -13.403  -0.118
  522   2HD1  LEU  69          HD12      LEU  69   4.920 -12.508  -0.762
  523   3HD1  LEU  69          HD13      LEU  69   3.868 -11.746   0.482
  524   1HD2  LEU  69          HD21      LEU  69   1.136 -12.145  -0.323
  525   2HD2  LEU  69          HD22      LEU  69   1.812 -10.471  -0.231
  526   3HD2  LEU  69          HD23      LEU  69   0.932 -11.013  -1.705
  527    H    GLU  70           HN       GLU  70   6.702 -11.237  -4.790
  528    HA   GLU  70           HA       GLU  70   7.246 -13.945  -4.445
  529   1HB   GLU  70           HB1      GLU  70   6.096 -12.977  -7.140
  530   2HB   GLU  70           HB2      GLU  70   6.923 -14.547  -6.926
  531   1HG   GLU  70           HG1      GLU  70   4.211 -13.809  -5.602
  532   2HG   GLU  70           HG2      GLU  70   4.396 -14.620  -7.174
  533    H    ALA  71           HN       ALA  71   8.398 -11.560  -3.903
  534    HA   ALA  71           HA       ALA  71  10.392 -11.099  -6.026
  535   1HB   ALA  71           HB1      ALA  71  10.502  -8.757  -5.223
  536   2HB   ALA  71           HB2      ALA  71   8.811  -9.225  -5.570
  537   3HB   ALA  71           HB3      ALA  71   9.368  -9.151  -3.870
  538    H    ARG  72           HN       ARG  72  12.259  -9.728  -4.744
  539    HA   ARG  72           HA       ARG  72  13.466 -11.624  -2.895
  540   1HB   ARG  72           HB1      ARG  72  14.644 -10.949  -5.006
  541   2HB   ARG  72           HB2      ARG  72  14.596  -9.247  -4.484
  542   1HG   ARG  72           HG1      ARG  72  16.041  -9.879  -2.471
  543   2HG   ARG  72           HG2      ARG  72  16.118 -11.557  -3.104
  544   1HD   ARG  72           HD1      ARG  72  17.223 -10.701  -5.219
  545   2HD   ARG  72           HD2      ARG  72  17.108  -9.009  -4.573
  546    HE   ARG  72           HE       ARG  72  18.573 -11.199  -3.117
  547   1HH1  ARG  72          HH21      ARG  72  20.648  -8.419  -5.168
  548   2HH1  ARG  72          HH22      ARG  72  18.920  -8.293  -5.154
  549   1HH2  ARG  72          HH11      ARG  72  20.803 -11.207  -2.979
  550   2HH2  ARG  72          HH12      ARG  72  21.724 -10.085  -3.925
   
  No H/Q in entry =         550
  Start of MODEL    6
    1   1H    LEU   1           HT1      LEU   1  12.471   6.030   4.567
    2   2H    LEU   1           HT2      LEU   1  11.827   4.458   4.507
    3   3H    LEU   1           HT3      LEU   1  12.465   5.169   3.103
    4    HA   LEU   1           HA       LEU   1  10.117   6.046   4.608
    5   1HB   LEU   1           HB1      LEU   1  11.474   7.104   2.057
    6   2HB   LEU   1           HB2      LEU   1   9.771   7.494   2.409
    7    HG   LEU   1           HG       LEU   1  12.027   8.164   4.368
    8   1HD1  LEU   1          HD11      LEU   1  12.503   9.276   2.203
    9   2HD1  LEU   1          HD12      LEU   1  10.833   9.952   2.155
   10   3HD1  LEU   1          HD13      LEU   1  11.985  10.476   3.440
   11   1HD2  LEU   1          HD21      LEU   1   9.134   9.224   4.082
   12   2HD2  LEU   1          HD22      LEU   1   9.749   8.131   5.372
   13   3HD2  LEU   1          HD23      LEU   1  10.361   9.814   5.261
   14    H    CYS   2           HN       CYS   2   8.241   5.110   4.102
   15    HA   CYS   2           HA       CYS   2   7.818   2.974   2.412
   16   1HB   CYS   2           HB1      CYS   2   6.526   3.369   4.502
   17   2HB   CYS   2           HB2      CYS   2   5.850   4.904   3.784
   18    H    LEU   3           HN       LEU   3   7.223   3.006   0.202
   19    HA   LEU   3           HA       LEU   3   7.268   5.674  -0.873
   20   1HB   LEU   3           HB1      LEU   3   7.714   2.919  -2.022
   21   2HB   LEU   3           HB2      LEU   3   7.713   4.360  -3.104
   22    HG   LEU   3           HG       LEU   3   9.593   4.018  -0.716
   23   1HD1  LEU   3          HD11      LEU   3  11.404   3.540  -2.379
   24   2HD1  LEU   3          HD12      LEU   3  10.102   2.301  -2.457
   25   3HD1  LEU   3          HD13      LEU   3  10.198   3.582  -3.718
   26   1HD2  LEU   3          HD21      LEU   3  10.894   5.901  -1.741
   27   2HD2  LEU   3          HD22      LEU   3   9.607   6.100  -2.987
   28   3HD2  LEU   3          HD23      LEU   3   9.242   6.396  -1.247
   29    H    VAL   4           HN       VAL   4   5.041   4.232   0.313
   30    HA   VAL   4           HA       VAL   4   3.061   4.262  -1.856
   31    HB   VAL   4           HB       VAL   4   2.831   2.675   0.734
   32   1HG1  VAL   4          HG21      VAL   4   1.227   2.439  -1.836
   33   2HG1  VAL   4          HG22      VAL   4   1.006   1.509  -0.296
   34   3HG1  VAL   4          HG23      VAL   4   0.700   3.283  -0.326
   35   1HG2  VAL   4          HG11      VAL   4   3.876   1.681  -1.946
   36   2HG2  VAL   4          HG12      VAL   4   4.779   1.844  -0.396
   37   3HG2  VAL   4          HG13      VAL   4   3.438   0.659  -0.509
   38    H    CYS   5           HN       CYS   5   3.168   4.484   1.694
   39    HA   CYS   5           HA       CYS   5   1.155   6.643   1.479
   40   1HB   CYS   5           HB1      CYS   5   0.210   6.152   3.559
   41   2HB   CYS   5           HB2      CYS   5   0.226   4.690   2.575
   42    H    SER   6           HN       SER   6   4.176   6.526   1.347
   43    HA   SER   6           HA       SER   6   5.922   7.761   1.993
   44   1HB   SER   6           HB1      SER   6   4.007  10.045   1.918
   45   2HB   SER   6           HB2      SER   6   5.707   9.998   1.289
   46    HG   SER   6           HG1      SER   6   4.811   8.442  -0.221
   47    H    ASP   7           HN       ASP   7   5.687   6.615   4.126
   48    HA   ASP   7           HA       ASP   7   5.779   8.551   6.376
   49   1HB   ASP   7           HB1      ASP   7   3.673   7.049   6.159
   50   2HB   ASP   7           HB2      ASP   7   4.722   5.626   6.214
   51    H    GLU   8           HN       GLU   8   7.330   7.454   8.154
   52    HA   GLU   8           HA       GLU   8   9.656   6.625   6.906
   53   1HB   GLU   8           HB1      GLU   8   9.350   6.128   9.843
   54   2HB   GLU   8           HB2      GLU   8  10.787   6.626   8.918
   55   1HG   GLU   8           HG1      GLU   8   8.280   8.358   9.581
   56   2HG   GLU   8           HG2      GLU   8   9.855   8.418  10.426
   57    H    ALA   9           HN       ALA   9  10.291   4.699   6.088
   58    HA   ALA   9           HA       ALA   9   8.634   2.428   6.533
   59   1HB   ALA   9           HB1      ALA   9  10.449   1.316   4.903
   60   2HB   ALA   9           HB2      ALA   9   9.236   2.450   4.268
   61   3HB   ALA   9           HB3      ALA   9  10.925   3.011   4.642
   62    H    SER  10           HN       SER  10   9.419   0.291   7.009
   63    HA   SER  10           HA       SER  10  11.454   0.296   9.122
   64   1HB   SER  10           HB1      SER  10   9.106  -1.633   8.619
   65   2HB   SER  10           HB2      SER  10  10.251  -1.693  10.011
   66    HG   SER  10           HG1      SER  10   8.536   0.462   9.346
   67    H    GLY  11           HN       GLY  11  11.881   0.132   6.122
   68   1HA   GLY  11           HA1      GLY  11  13.655  -0.887   5.122
   69   2HA   GLY  11           HA2      GLY  11  13.353  -2.414   6.042
   70    H    CYS  12           HN       CYS  12  13.642  -2.720   3.329
   71    HA   CYS  12           HA       CYS  12  11.086  -2.513   2.023
   72   1HB   CYS  12           HB1      CYS  12  12.222  -3.610   0.075
   73   2HB   CYS  12           HB2      CYS  12  12.955  -2.081   0.605
   74    HG1  CYS  12           HG1      CYS  12  13.969  -5.139   1.416
   75    H    HIS  13           HN       HIS  13   9.731  -4.240   1.343
   76    HA   HIS  13           HA       HIS  13  10.316  -6.899   2.336
   77   1HB   HIS  13           HB1      HIS  13   7.816  -5.338   3.305
   78   2HB   HIS  13           HB2      HIS  13   8.101  -7.099   3.495
   79    HD2  HIS  13           HD2      HIS  13   9.927  -7.877   5.506
   80    HE1  HIS  13           HE1      HIS  13  10.293  -3.987   7.133
   81    HE2  HIS  13           HE2      HIS  13  10.792  -6.473   7.473
   82    H    TYR  14           HN       TYR  14   9.801  -8.098   0.559
   83    HA   TYR  14           HA       TYR  14   8.648  -8.941  -1.020
   84   1HB   TYR  14           HB1      TYR  14   6.608  -6.654  -1.100
   85   2HB   TYR  14           HB2      TYR  14   6.453  -8.126  -1.944
   86    HD1  TYR  14           HD1      TYR  14   7.503 -10.184   0.192
   87    HD2  TYR  14           HD2      TYR  14   4.577  -7.044   0.304
   88    HE1  TYR  14           HE1      TYR  14   6.533 -11.181   2.177
   89    HE2  TYR  14           HE2      TYR  14   3.536  -8.132   2.201
   90    HH   TYR  14           HH       TYR  14   3.683  -9.680   3.791
   91    H    GLY  15           HN       GLY  15   7.887  -6.195  -2.862
   92   1HA   GLY  15           HA1      GLY  15  10.569  -6.415  -4.075
   93   2HA   GLY  15           HA2      GLY  15   9.038  -5.848  -4.802
   94    H    VAL  16           HN       VAL  16   8.843  -4.081  -2.051
   95    HA   VAL  16           HA       VAL  16  10.628  -1.966  -3.091
   96    HB   VAL  16           HB       VAL  16   7.693  -1.607  -2.381
   97   1HG1  VAL  16          HG21      VAL  16   9.517   0.281  -3.939
   98   2HG1  VAL  16          HG22      VAL  16   7.726   0.413  -3.741
   99   3HG1  VAL  16          HG23      VAL  16   8.769   0.546  -2.301
  100   1HG2  VAL  16          HG11      VAL  16   8.824  -1.939  -5.237
  101   2HG2  VAL  16          HG12      VAL  16   7.744  -3.083  -4.365
  102   3HG2  VAL  16          HG13      VAL  16   7.133  -1.469  -4.816
  103    H    LEU  17           HN       LEU  17  10.874  -0.242  -1.736
  104    HA   LEU  17           HA       LEU  17  11.159  -0.686   1.027
  105   1HB   LEU  17           HB1      LEU  17  12.674   0.764  -0.379
  106   2HB   LEU  17           HB2      LEU  17  11.347   1.933  -0.561
  107    HG   LEU  17           HG       LEU  17  11.347   2.256   1.961
  108   1HD1  LEU  17          HD11      LEU  17  13.356   1.518   3.274
  109   2HD1  LEU  17          HD12      LEU  17  12.306   0.160   2.743
  110   3HD1  LEU  17          HD13      LEU  17  13.862   0.480   1.885
  111   1HD2  LEU  17          HD21      LEU  17  13.395   3.670   2.011
  112   2HD2  LEU  17          HD22      LEU  17  14.023   2.841   0.539
  113   3HD2  LEU  17          HD23      LEU  17  12.528   3.840   0.443
  114    H    THR  18           HN       THR  18   9.299  -0.948   2.225
  115    HA   THR  18           HA       THR  18   7.175   1.084   1.985
  116    HB   THR  18           HB       THR  18   5.705  -1.156   2.750
  117    HG1  THR  18           HG1      THR  18   7.583  -2.427   2.846
  118   1HG2  THR  18          HG21      THR  18   5.080  -1.739   0.478
  119   2HG2  THR  18          HG22      THR  18   5.179   0.046   0.749
  120   3HG2  THR  18          HG23      THR  18   6.487  -0.805  -0.185
  121    H    CYS  19           HN       CYS  19   5.657   0.771   3.915
  122    HA   CYS  19           HA       CYS  19   7.390   1.015   6.195
  123   1HB   CYS  19           HB1      CYS  19   5.657   1.808   7.580
  124   2HB   CYS  19           HB2      CYS  19   5.832   2.753   6.176
  125    H    GLY  20           HN       GLY  20   5.728   0.102   8.308
  126   1HA   GLY  20           HA1      GLY  20   6.324  -2.710   8.277
  127   2HA   GLY  20           HA2      GLY  20   5.568  -1.713   9.577
  128    H    SER  21           HN       SER  21   3.442  -0.617   8.292
  129    HA   SER  21           HA       SER  21   1.564  -2.689   8.329
  130   1HB   SER  21           HB1      SER  21   1.271  -0.284   9.152
  131   2HB   SER  21           HB2      SER  21   1.071   0.215   7.440
  132    HG   SER  21           HG1      SER  21  -0.885  -0.190   8.521
  133    H    CYS  22           HN       CYS  22   2.916  -0.823   5.500
  134    HA   CYS  22           HA       CYS  22   0.979  -1.656   3.708
  135   1HB   CYS  22           HB1      CYS  22   3.691  -0.463   3.158
  136   2HB   CYS  22           HB2      CYS  22   2.578  -0.970   1.846
  137    H    LYS  23           HN       LYS  23   3.724  -3.225   4.895
  138    HA   LYS  23           HA       LYS  23   4.121  -5.196   3.024
  139   1HB   LYS  23           HB1      LYS  23   5.724  -4.544   4.769
  140   2HB   LYS  23           HB2      LYS  23   4.633  -5.112   6.050
  141   1HG   LYS  23           HG1      LYS  23   5.775  -7.019   3.921
  142   2HG   LYS  23           HG2      LYS  23   6.689  -6.520   5.383
  143   1HD   LYS  23           HD1      LYS  23   4.688  -7.362   6.791
  144   2HD   LYS  23           HD2      LYS  23   4.106  -8.164   5.296
  145   1HE   LYS  23           HE1      LYS  23   6.360  -9.388   5.143
  146   2HE   LYS  23           HE2      LYS  23   6.833  -8.625   6.706
  147   1HZ   LYS  23           HZ1      LYS  23   5.969 -10.812   6.986
  148   2HZ   LYS  23           HZ2      LYS  23   4.957  -9.670   7.732
  149   3HZ   LYS  23           HZ3      LYS  23   4.494 -10.382   6.261
  150    H    VAL  24           HN       VAL  24   2.526  -5.393   6.141
  151    HA   VAL  24           HA       VAL  24   1.265  -7.838   5.828
  152    HB   VAL  24           HB       VAL  24   0.355  -5.503   7.640
  153   1HG1  VAL  24          HG21      VAL  24   0.129  -8.536   8.137
  154   2HG1  VAL  24          HG22      VAL  24  -0.329  -7.223   9.297
  155   3HG1  VAL  24          HG23      VAL  24  -1.230  -7.412   7.753
  156   1HG2  VAL  24          HG11      VAL  24   2.627  -7.487   8.242
  157   2HG2  VAL  24          HG12      VAL  24   2.763  -5.710   7.958
  158   3HG2  VAL  24          HG13      VAL  24   1.907  -6.308   9.405
  159    H    PHE  25           HN       PHE  25   0.135  -4.682   5.097
  160    HA   PHE  25           HA       PHE  25  -2.555  -4.981   4.669
  161   1HB   PHE  25           HB1      PHE  25  -1.335  -2.820   4.801
  162   2HB   PHE  25           HB2      PHE  25  -0.358  -3.238   3.394
  163    HD1  PHE  25           HD2      PHE  25  -4.098  -2.897   4.186
  164    HD2  PHE  25           HD1      PHE  25  -0.812  -2.164   1.498
  165    HE1  PHE  25           HE2      PHE  25  -5.621  -1.734   2.615
  166    HE2  PHE  25           HE1      PHE  25  -2.316  -1.045  -0.052
  167    HZ   PHE  25           HZ       PHE  25  -4.738  -0.848   0.464
  168    H    PHE  26           HN       PHE  26   0.150  -5.046   2.453
  169    HA   PHE  26           HA       PHE  26  -1.116  -5.721   0.119
  170   1HB   PHE  26           HB1      PHE  26   1.060  -4.575   0.176
  171   2HB   PHE  26           HB2      PHE  26   1.823  -5.976   0.983
  172    HD1  PHE  26           HD2      PHE  26   0.334  -4.779  -2.249
  173    HD2  PHE  26           HD1      PHE  26   2.530  -7.881  -0.261
  174    HE1  PHE  26           HE2      PHE  26   1.125  -5.614  -4.427
  175    HE2  PHE  26           HE1      PHE  26   3.304  -8.728  -2.438
  176    HZ   PHE  26           HZ       PHE  26   2.614  -7.635  -4.517
  177    H    LYS  27           HN       LYS  27   0.603  -7.803   2.356
  178    HA   LYS  27           HA       LYS  27   0.240 -10.133   0.787
  179   1HB   LYS  27           HB1      LYS  27   2.142 -10.197   2.136
  180   2HB   LYS  27           HB2      LYS  27   1.201  -9.983   3.647
  181   1HG   LYS  27           HG1      LYS  27   0.230 -12.215   3.452
  182   2HG   LYS  27           HG2      LYS  27   0.821 -12.422   1.780
  183   1HD   LYS  27           HD1      LYS  27   2.745 -12.102   4.159
  184   2HD   LYS  27           HD2      LYS  27   2.007 -13.672   3.741
  185   1HE   LYS  27           HE1      LYS  27   3.020 -13.683   1.492
  186   2HE   LYS  27           HE2      LYS  27   3.700 -12.036   1.729
  187   1HZ   LYS  27           HZ1      LYS  27   4.350 -14.437   3.331
  188   2HZ   LYS  27           HZ2      LYS  27   5.292 -13.762   2.090
  189   3HZ   LYS  27           HZ3      LYS  27   5.018 -12.888   3.520
  190    H    ARG  28           HN       ARG  28  -1.920  -8.566   3.062
  191    HA   ARG  28           HA       ARG  28  -3.666 -10.864   3.162
  192   1HB   ARG  28           HB1      ARG  28  -3.260  -8.651   4.859
  193   2HB   ARG  28           HB2      ARG  28  -4.802  -8.261   4.093
  194   1HG   ARG  28           HG1      ARG  28  -5.407  -9.492   6.043
  195   2HG   ARG  28           HG2      ARG  28  -5.551 -10.681   4.724
  196   1HD   ARG  28           HD1      ARG  28  -4.404 -11.931   6.365
  197   2HD   ARG  28           HD2      ARG  28  -3.007 -11.330   5.370
  198    HE   ARG  28           HE       ARG  28  -2.902  -9.421   7.071
  199   1HH1  ARG  28          HH21      ARG  28  -2.155 -12.835   9.073
  200   2HH1  ARG  28          HH22      ARG  28  -3.252 -12.900   7.733
  201   1HH2  ARG  28          HH11      ARG  28  -1.268 -10.801   9.782
  202   2HH2  ARG  28          HH12      ARG  28  -1.688  -9.326   8.978
  203    H    ALA  29           HN       ALA  29  -3.367  -7.814   1.526
  204    HA   ALA  29           HA       ALA  29  -5.836  -7.673   0.260
  205   1HB   ALA  29           HB1      ALA  29  -4.747  -5.890  -1.158
  206   2HB   ALA  29           HB2      ALA  29  -4.384  -5.696   0.583
  207   3HB   ALA  29           HB3      ALA  29  -3.138  -6.406  -0.487
  208    H    VAL  30           HN       VAL  30  -2.835  -9.272  -0.684
  209    HA   VAL  30           HA       VAL  30  -3.644  -9.677  -3.418
  210    HB   VAL  30           HB       VAL  30  -1.111 -10.417  -1.899
  211   1HG1  VAL  30          HG21      VAL  30  -1.733 -10.645  -4.910
  212   2HG1  VAL  30          HG22      VAL  30  -0.094 -10.828  -4.182
  213   3HG1  VAL  30          HG23      VAL  30  -1.402 -12.006  -3.769
  214   1HG2  VAL  30          HG11      VAL  30  -1.259  -8.287  -4.097
  215   2HG2  VAL  30          HG12      VAL  30  -1.562  -7.870  -2.384
  216   3HG2  VAL  30          HG13      VAL  30   0.009  -8.587  -2.849
  217    H    GLU  31           HN       GLU  31  -2.377 -11.787  -0.873
  218    HA   GLU  31           HA       GLU  31  -3.831 -14.044  -2.025
  219   1HB   GLU  31           HB1      GLU  31  -2.498 -15.545  -0.634
  220   2HB   GLU  31           HB2      GLU  31  -1.602 -14.598  -1.850
  221   1HG   GLU  31           HG1      GLU  31  -0.815 -12.999  -0.129
  222   2HG   GLU  31           HG2      GLU  31  -1.716 -13.886   1.152
  223    H    GLY  32           HN       GLY  32  -5.602 -12.488  -1.186
  224   1HA   GLY  32           HA1      GLY  32  -7.025 -14.000   0.731
  225   2HA   GLY  32           HA2      GLY  32  -6.541 -12.364   1.357
  226    H    GLN  33           HN       GLN  33  -8.646 -11.412   1.262
  227    HA   GLN  33           HA       GLN  33  -9.458 -10.598  -1.359
  228   1HB   GLN  33           HB1      GLN  33 -11.740 -11.276  -1.287
  229   2HB   GLN  33           HB2      GLN  33 -10.745 -12.737  -1.116
  230   1HG   GLN  33           HG1      GLN  33 -12.309 -11.324   1.165
  231   2HG   GLN  33           HG2      GLN  33 -12.813 -12.779   0.274
  232   1HE2  GLN  33          HE21      GLN  33 -10.649 -11.529   2.790
  233   2HE2  GLN  33          HE22      GLN  33 -10.139 -13.068   3.409
  234    H    HIS  34           HN       HIS  34  -9.959  -8.490  -1.237
  235    HA   HIS  34           HA       HIS  34 -10.921  -7.406   1.294
  236   1HB   HIS  34           HB1      HIS  34  -8.448  -6.465  -0.191
  237   2HB   HIS  34           HB2      HIS  34  -9.405  -5.344   0.844
  238    HD2  HIS  34           HD2      HIS  34  -7.640  -8.827   1.243
  239    HE1  HIS  34           HE1      HIS  34  -7.716  -6.865   5.002
  240    HE2  HIS  34           HE2      HIS  34  -6.895  -8.934   3.743
  241    H    ASN  35           HN       ASN  35 -11.541  -4.935   0.674
  242    HA   ASN  35           HA       ASN  35 -12.407  -4.708  -2.076
  243   1HB   ASN  35           HB1      ASN  35 -14.306  -5.910  -0.788
  244   2HB   ASN  35           HB2      ASN  35 -14.453  -4.461   0.238
  245   1HD2  ASN  35          HD21      ASN  35 -16.520  -2.767  -2.117
  246   2HD2  ASN  35          HD22      ASN  35 -15.856  -2.857  -0.520
  247    H    TYR  36           HN       TYR  36 -11.358  -2.908  -2.551
  248    HA   TYR  36           HA       TYR  36 -11.771  -0.545  -0.911
  249   1HB   TYR  36           HB1      TYR  36  -9.223  -0.712  -2.497
  250   2HB   TYR  36           HB2      TYR  36  -9.582   0.190  -0.981
  251    HD1  TYR  36           HD2      TYR  36  -9.861  -1.346   1.160
  252    HD2  TYR  36           HD1      TYR  36  -7.763  -2.530  -2.411
  253    HE1  TYR  36           HE2      TYR  36  -8.448  -2.867   2.485
  254    HE2  TYR  36           HE1      TYR  36  -6.361  -4.043  -1.087
  255    HH   TYR  36           HH       TYR  36  -5.822  -4.791   0.947
  256    H    LEU  37           HN       LEU  37 -12.675   1.071  -2.162
  257    HA   LEU  37           HA       LEU  37 -13.047   0.457  -5.011
  258   1HB   LEU  37           HB1      LEU  37 -14.979   0.493  -3.409
  259   2HB   LEU  37           HB2      LEU  37 -14.740   2.245  -3.207
  260    HG   LEU  37           HG       LEU  37 -15.307   0.835  -5.896
  261   1HD1  LEU  37          HD11      LEU  37 -17.681   1.517  -5.640
  262   2HD1  LEU  37          HD12      LEU  37 -17.171   0.425  -4.304
  263   3HD1  LEU  37          HD13      LEU  37 -17.328   2.196  -4.007
  264   1HD2  LEU  37          HD21      LEU  37 -16.135   3.115  -6.652
  265   2HD2  LEU  37          HD22      LEU  37 -15.472   3.822  -5.136
  266   3HD2  LEU  37          HD23      LEU  37 -14.376   3.062  -6.352
  267    H    CYS  38           HN       CYS  38 -11.571   1.456  -6.111
  268    HA   CYS  38           HA       CYS  38 -11.750   4.084  -6.745
  269   1HB   CYS  38           HB1      CYS  38 -10.296   4.047  -4.401
  270   2HB   CYS  38           HB2      CYS  38  -8.953   3.708  -5.499
  271    H    ALA  39           HN       ALA  39 -11.993   1.809  -7.838
  272    HA   ALA  39           HA       ALA  39  -9.645   0.963  -9.282
  273   1HB   ALA  39           HB1      ALA  39 -11.100  -0.965 -10.014
  274   2HB   ALA  39           HB2      ALA  39 -11.098  -0.779  -8.225
  275   3HB   ALA  39           HB3      ALA  39 -12.496  -0.172  -9.178
  276    H    GLY  40           HN       GLY  40 -12.325   3.012  -9.650
  277   1HA   GLY  40           HA1      GLY  40 -11.984   3.132 -12.586
  278   2HA   GLY  40           HA2      GLY  40 -13.576   3.186 -11.735
  279    H    ARG  41           HN       ARG  41 -11.025   4.708  -9.924
  280    HA   ARG  41           HA       ARG  41 -11.668   7.350 -11.006
  281   1HB   ARG  41           HB1      ARG  41 -11.289   6.482  -8.098
  282   2HB   ARG  41           HB2      ARG  41 -11.348   8.188  -8.669
  283   1HG   ARG  41           HG1      ARG  41 -13.731   7.877  -9.310
  284   2HG   ARG  41           HG2      ARG  41 -13.627   6.119  -8.963
  285   1HD   ARG  41           HD1      ARG  41 -13.058   6.649  -6.535
  286   2HD   ARG  41           HD2      ARG  41 -13.361   8.404  -6.888
  287    HE   ARG  41           HE       ARG  41 -15.672   7.628  -7.655
  288   1HH1  ARG  41          HH21      ARG  41 -15.371   6.723  -3.743
  289   2HH1  ARG  41          HH22      ARG  41 -13.951   6.560  -4.723
  290   1HH2  ARG  41          HH11      ARG  41 -17.417   7.305  -4.709
  291   2HH2  ARG  41          HH12      ARG  41 -17.534   7.581  -6.417
  292    H    ASN  42           HN       ASN  42  -9.604   6.343  -8.435
  293    HA   ASN  42           HA       ASN  42  -7.521   6.298  -7.968
  294   1HB   ASN  42           HB1      ASN  42  -7.197   4.604  -9.753
  295   2HB   ASN  42           HB2      ASN  42  -6.917   5.891 -10.957
  296   1HD2  ASN  42          HD21      ASN  42  -3.438   6.041 -10.282
  297   2HD2  ASN  42          HD22      ASN  42  -4.763   6.356 -11.353
  298    H    ASP  43           HN       ASP  43  -8.405   8.462  -7.437
  299    HA   ASP  43           HA       ASP  43  -7.133  10.659  -8.941
  300   1HB   ASP  43           HB1      ASP  43  -8.816  12.044  -7.286
  301   2HB   ASP  43           HB2      ASP  43  -9.191  11.485  -8.950
  302    H    CYS  44           HN       CYS  44  -8.067   9.787  -5.502
  303    HA   CYS  44           HA       CYS  44  -6.748  11.760  -4.428
  304   1HB   CYS  44           HB1      CYS  44  -6.769   9.716  -2.377
  305   2HB   CYS  44           HB2      CYS  44  -7.965  10.980  -2.699
  306    H    ILE  45           HN       ILE  45  -4.806  11.978  -3.116
  307    HA   ILE  45           HA       ILE  45  -2.548  10.302  -3.937
  308    HB   ILE  45           HB       ILE  45  -2.731  12.869  -2.259
  309   1HG1  ILE  45          HG11      ILE  45  -3.164  13.303  -4.630
  310   2HG1  ILE  45          HG12      ILE  45  -1.640  14.042  -4.079
  311   1HG2  ILE  45          HG21      ILE  45  -0.207  12.987  -2.373
  312   2HG2  ILE  45          HG22      ILE  45  -0.802  11.627  -1.366
  313   3HG2  ILE  45          HG23      ILE  45  -0.181  11.309  -3.021
  314   1HD1  ILE  45           HD1      ILE  45  -1.340  13.095  -6.338
  315   2HD1  ILE  45           HD2      ILE  45  -0.339  12.150  -5.180
  316   3HD1  ILE  45           HD3      ILE  45  -1.899  11.475  -5.790
  317    H    ILE  46           HN       ILE  46  -1.443   9.059  -2.359
  318    HA   ILE  46           HA       ILE  46  -2.892   8.687   0.172
  319    HB   ILE  46           HB       ILE  46  -2.343   6.821  -1.986
  320   1HG1  ILE  46          HG11      ILE  46  -3.902   5.386  -0.826
  321   2HG1  ILE  46          HG12      ILE  46  -3.716   6.281   0.719
  322   1HG2  ILE  46          HG21      ILE  46  -1.627   4.855  -0.706
  323   2HG2  ILE  46          HG22      ILE  46  -0.323   6.042  -0.981
  324   3HG2  ILE  46          HG23      ILE  46  -1.069   5.884   0.664
  325   1HD1  ILE  46           HD1      ILE  46  -5.816   6.668  -0.730
  326   2HD1  ILE  46           HD2      ILE  46  -4.976   8.145  -0.106
  327   3HD1  ILE  46           HD3      ILE  46  -4.764   7.620  -1.834
  328    H    ASP  47           HN       ASP  47  -1.876   9.167   1.849
  329    HA   ASP  47           HA       ASP  47   0.908   8.745   2.062
  330   1HB   ASP  47           HB1      ASP  47   1.669  10.892   2.719
  331   2HB   ASP  47           HB2      ASP  47   1.077  10.932   1.055
  332    H    LYS  48           HN       LYS  48   1.179   9.949   4.562
  333    HA   LYS  48           HA       LYS  48   0.005   8.092   6.191
  334   1HB   LYS  48           HB1      LYS  48   2.202   9.498   6.283
  335   2HB   LYS  48           HB2      LYS  48   1.268  10.708   7.179
  336   1HG   LYS  48           HG1      LYS  48   1.653   7.743   8.025
  337   2HG   LYS  48           HG2      LYS  48   2.728   9.095   8.485
  338   1HD   LYS  48           HD1      LYS  48   0.555  10.214   9.493
  339   2HD   LYS  48           HD2      LYS  48  -0.125   8.547   9.425
  340   1HE   LYS  48           HE1      LYS  48   1.745   7.693  10.854
  341   2HE   LYS  48           HE2      LYS  48   2.461   9.352  10.919
  342   1HZ   LYS  48           HZ1      LYS  48   0.435  10.119  11.931
  343   2HZ   LYS  48           HZ2      LYS  48  -0.215   8.551  11.894
  344   3HZ   LYS  48           HZ3      LYS  48   1.163   8.877  12.833
  345    H    ILE  49           HN       ILE  49  -1.510  10.866   5.028
  346    HA   ILE  49           HA       ILE  49  -3.305  11.162   7.339
  347    HB   ILE  49           HB       ILE  49  -2.440  13.001   5.058
  348   1HG1  ILE  49          HG11      ILE  49  -0.871  12.981   6.928
  349   2HG1  ILE  49          HG12      ILE  49  -1.678  14.561   6.764
  350   1HG2  ILE  49          HG21      ILE  49  -3.982  14.786   5.928
  351   2HG2  ILE  49          HG22      ILE  49  -4.813  13.370   5.186
  352   3HG2  ILE  49          HG23      ILE  49  -4.774  13.544   6.982
  353   1HD1  ILE  49           HD1      ILE  49  -1.489  13.984   9.151
  354   2HD1  ILE  49           HD2      ILE  49  -3.229  13.941   8.695
  355   3HD1  ILE  49           HD3      ILE  49  -2.309  12.403   8.894
  356    H    ARG  50           HN       ARG  50  -3.062  11.035   3.858
  357    HA   ARG  50           HA       ARG  50  -5.859  10.825   3.447
  358   1HB   ARG  50           HB1      ARG  50  -3.581  10.568   1.440
  359   2HB   ARG  50           HB2      ARG  50  -5.329  10.758   1.042
  360   1HG   ARG  50           HG1      ARG  50  -5.309  12.965   2.317
  361   2HG   ARG  50           HG2      ARG  50  -3.538  12.796   2.506
  362   1HD   ARG  50           HD1      ARG  50  -3.296  12.759  -0.029
  363   2HD   ARG  50           HD2      ARG  50  -5.073  13.046  -0.185
  364    HE   ARG  50           HE       ARG  50  -3.028  14.891   1.030
  365   1HH1  ARG  50          HH21      ARG  50  -6.896  16.001   1.100
  366   2HH1  ARG  50          HH22      ARG  50  -6.513  14.445   0.441
  367   1HH2  ARG  50          HH11      ARG  50  -5.196  17.454   1.781
  368   2HH2  ARG  50          HH12      ARG  50  -3.533  16.990   1.633
  369    H    ARG  51           HN       ARG  51  -3.871   8.547   4.541
  370    HA   ARG  51           HA       ARG  51  -4.572   6.298   3.033
  371   1HB   ARG  51           HB1      ARG  51  -3.280   5.036   4.338
  372   2HB   ARG  51           HB2      ARG  51  -2.627   6.604   4.814
  373   1HG   ARG  51           HG1      ARG  51  -4.681   4.944   6.410
  374   2HG   ARG  51           HG2      ARG  51  -2.920   4.940   6.659
  375   1HD   ARG  51           HD1      ARG  51  -2.894   7.257   7.437
  376   2HD   ARG  51           HD2      ARG  51  -4.642   7.490   7.011
  377    HE   ARG  51           HE       ARG  51  -3.736   5.368   8.940
  378   1HH1  ARG  51          HH21      ARG  51  -5.307   8.763  10.404
  379   2HH1  ARG  51          HH22      ARG  51  -5.054   8.658   8.692
  380   1HH2  ARG  51          HH11      ARG  51  -4.906   6.908  11.780
  381   2HH2  ARG  51          HH12      ARG  51  -4.352   5.418  11.094
  382    H    LYS  52           HN       LYS  52  -6.238   8.068   5.512
  383    HA   LYS  52           HA       LYS  52  -8.196   6.066   6.029
  384   1HB   LYS  52           HB1      LYS  52  -6.995   8.269   7.453
  385   2HB   LYS  52           HB2      LYS  52  -8.719   8.649   7.364
  386   1HG   LYS  52           HG1      LYS  52  -7.587   5.985   8.458
  387   2HG   LYS  52           HG2      LYS  52  -7.941   7.440   9.426
  388   1HD   LYS  52           HD1      LYS  52  -9.841   6.201   9.805
  389   2HD   LYS  52           HD2      LYS  52 -10.386   7.301   8.506
  390   1HE   LYS  52           HE1      LYS  52 -10.105   5.413   6.819
  391   2HE   LYS  52           HE2      LYS  52  -9.503   4.342   8.141
  392   1HZ   LYS  52           HZ1      LYS  52 -12.163   5.623   7.975
  393   2HZ   LYS  52           HZ2      LYS  52 -11.789   3.990   7.682
  394   3HZ   LYS  52           HZ3      LYS  52 -11.607   4.638   9.242
  395    H    ASN  53           HN       ASN  53  -7.702   8.426   3.683
  396    HA   ASN  53           HA       ASN  53 -10.483   9.154   3.389
  397   1HB   ASN  53           HB1      ASN  53  -7.950   9.983   1.821
  398   2HB   ASN  53           HB2      ASN  53  -9.579  10.432   1.282
  399   1HD2  ASN  53          HD21      ASN  53  -7.922  13.092   3.580
  400   2HD2  ASN  53          HD22      ASN  53  -7.206  12.076   2.373
  401    H    CYS  54           HN       CYS  54  -7.991   6.943   2.220
  402    HA   CYS  54           HA       CYS  54  -9.928   5.460   0.750
  403   1HB   CYS  54           HB1      CYS  54  -9.590   7.198  -0.896
  404   2HB   CYS  54           HB2      CYS  54  -7.834   7.146  -0.708
  405    HA   PRO  55           HA       PRO  55  -6.306   2.783   1.685
  406   1HB   PRO  55           HB1      PRO  55  -7.640   0.558   2.424
  407   2HB   PRO  55           HB2      PRO  55  -7.775   1.999   3.401
  408   1HG   PRO  55           HG1      PRO  55  -9.747   1.016   1.327
  409   2HG   PRO  55           HG2      PRO  55 -10.079   1.555   2.966
  410   1HD   PRO  55           HD1      PRO  55 -10.234   3.188   0.686
  411   2HD   PRO  55           HD2      PRO  55  -9.999   3.803   2.328
  412    H    ALA  56           HN       ALA  56  -7.956   3.155  -1.140
  413    HA   ALA  56           HA       ALA  56  -7.596   0.509  -2.223
  414   1HB   ALA  56           HB1      ALA  56  -8.990   1.312  -4.090
  415   2HB   ALA  56           HB2      ALA  56  -9.789   1.771  -2.534
  416   3HB   ALA  56           HB3      ALA  56  -8.876   2.992  -3.440
  417    H    CYS  57           HN       CYS  57  -6.733   3.975  -2.769
  418    HA   CYS  57           HA       CYS  57  -5.031   3.666  -4.856
  419   1HB   CYS  57           HB1      CYS  57  -5.291   5.670  -2.623
  420   2HB   CYS  57           HB2      CYS  57  -3.987   5.873  -3.789
  421    H    ARG  58           HN       ARG  58  -4.421   3.251  -1.453
  422    HA   ARG  58           HA       ARG  58  -1.696   3.161  -1.511
  423   1HB   ARG  58           HB1      ARG  58  -3.239   1.224   0.314
  424   2HB   ARG  58           HB2      ARG  58  -1.650   2.020   0.606
  425   1HG   ARG  58           HG1      ARG  58  -3.001   4.222   0.638
  426   2HG   ARG  58           HG2      ARG  58  -4.470   3.223   0.638
  427   1HD   ARG  58           HD1      ARG  58  -2.338   3.672   2.797
  428   2HD   ARG  58           HD2      ARG  58  -4.150   3.696   2.938
  429    HE   ARG  58           HE       ARG  58  -2.555   1.180   2.506
  430   1HH1  ARG  58          HH21      ARG  58  -3.982   2.025   6.177
  431   2HH1  ARG  58          HH22      ARG  58  -4.403   3.098   4.885
  432   1HH2  ARG  58          HH11      ARG  58  -2.743   0.094   5.763
  433   2HH2  ARG  58          HH12      ARG  58  -2.231  -0.296   4.154
  434    H    TYR  59           HN       TYR  59  -4.062   0.650  -2.347
  435    HA   TYR  59           HA       TYR  59  -2.117  -1.463  -2.385
  436   1HB   TYR  59           HB1      TYR  59  -4.513  -1.831  -1.769
  437   2HB   TYR  59           HB2      TYR  59  -5.007  -1.356  -3.417
  438    HD1  TYR  59           HD2      TYR  59  -2.004  -3.610  -2.762
  439    HD2  TYR  59           HD1      TYR  59  -6.162  -3.375  -3.873
  440    HE1  TYR  59           HE2      TYR  59  -1.942  -5.953  -3.520
  441    HE2  TYR  59           HE1      TYR  59  -6.105  -5.739  -4.554
  442    HH   TYR  59           HH       TYR  59  -4.853  -7.553  -4.881
  443    H    ARG  60           HN       ARG  60  -3.697   0.769  -4.648
  444    HA   ARG  60           HA       ARG  60  -2.666  -0.251  -7.009
  445   1HB   ARG  60           HB1      ARG  60  -3.592   2.594  -6.356
  446   2HB   ARG  60           HB2      ARG  60  -3.304   2.017  -8.008
  447   1HG   ARG  60           HG1      ARG  60  -5.293   0.415  -6.333
  448   2HG   ARG  60           HG2      ARG  60  -5.724   2.089  -6.744
  449   1HD   ARG  60           HD1      ARG  60  -6.737   0.733  -8.397
  450   2HD   ARG  60           HD2      ARG  60  -5.373   1.550  -9.238
  451    HE   ARG  60           HE       ARG  60  -5.511  -1.320  -8.326
  452   1HH1  ARG  60          HH21      ARG  60  -2.229  -0.083 -10.320
  453   2HH1  ARG  60          HH22      ARG  60  -3.475   1.081 -10.011
  454   1HH2  ARG  60          HH11      ARG  60  -2.512  -2.318  -9.691
  455   2HH2  ARG  60          HH12      ARG  60  -3.970  -2.829  -8.909
  456    H    LYS  61           HN       LYS  61  -1.479   2.210  -4.785
  457    HA   LYS  61           HA       LYS  61   0.549   3.243  -6.316
  458   1HB   LYS  61           HB1      LYS  61  -0.688   4.388  -4.471
  459   2HB   LYS  61           HB2      LYS  61  -0.055   3.207  -3.307
  460   1HG   LYS  61           HG1      LYS  61   1.198   5.078  -2.883
  461   2HG   LYS  61           HG2      LYS  61   2.319   4.201  -3.971
  462   1HD   LYS  61           HD1      LYS  61   1.433   5.658  -5.896
  463   2HD   LYS  61           HD2      LYS  61   0.407   6.521  -4.695
  464   1HE   LYS  61           HE1      LYS  61   2.522   7.224  -3.444
  465   2HE   LYS  61           HE2      LYS  61   3.511   6.439  -4.736
  466   1HZ   LYS  61           HZ1      LYS  61   2.481   7.901  -6.324
  467   2HZ   LYS  61           HZ2      LYS  61   1.569   8.643  -5.097
  468   3HZ   LYS  61           HZ3      LYS  61   3.263   8.764  -5.087
  469    H    CYS  62           HN       CYS  62   0.638   0.916  -3.668
  470    HA   CYS  62           HA       CYS  62   3.364   0.502  -3.709
  471   1HB   CYS  62           HB1      CYS  62   3.084  -1.147  -2.070
  472   2HB   CYS  62           HB2      CYS  62   1.839   0.066  -1.802
  473    HG1  CYS  62           HG1      CYS  62   1.415  -2.830  -3.327
  474    H    LEU  63           HN       LEU  63   0.772  -1.130  -5.506
  475    HA   LEU  63           HA       LEU  63   2.333  -3.099  -6.697
  476   1HB   LEU  63           HB1      LEU  63  -0.358  -1.820  -7.382
  477   2HB   LEU  63           HB2      LEU  63   0.361  -2.989  -8.524
  478    HG   LEU  63           HG       LEU  63  -0.180  -3.656  -5.580
  479   1HD1  LEU  63          HD11      LEU  63  -2.201  -4.876  -6.354
  480   2HD1  LEU  63          HD12      LEU  63  -2.335  -3.124  -6.740
  481   3HD1  LEU  63          HD13      LEU  63  -1.932  -4.304  -8.039
  482   1HD2  LEU  63          HD21      LEU  63   0.026  -6.036  -6.391
  483   2HD2  LEU  63          HD22      LEU  63   0.469  -5.434  -8.028
  484   3HD2  LEU  63          HD23      LEU  63   1.550  -5.110  -6.627
  485    H    GLN  64           HN       GLN  64   1.503   0.247  -7.727
  486    HA   GLN  64           HA       GLN  64   2.725   0.122 -10.205
  487   1HB   GLN  64           HB1      GLN  64   1.892   2.402  -8.377
  488   2HB   GLN  64           HB2      GLN  64   2.757   2.772  -9.887
  489   1HG   GLN  64           HG1      GLN  64   0.159   1.082  -9.850
  490   2HG   GLN  64           HG2      GLN  64   0.164   2.872  -9.943
  491   1HE2  GLN  64          HE21      GLN  64   0.632  -0.115 -11.744
  492   2HE2  GLN  64          HE22      GLN  64   1.007   0.600 -13.277
  493    H    ALA  65           HN       ALA  65   3.932   0.740  -7.037
  494    HA   ALA  65           HA       ALA  65   6.418   1.784  -7.693
  495   1HB   ALA  65           HB1      ALA  65   7.073   1.507  -5.386
  496   2HB   ALA  65           HB2      ALA  65   5.374   2.074  -5.448
  497   3HB   ALA  65           HB3      ALA  65   5.711   0.351  -5.087
  498    H    GLY  66           HN       GLY  66   5.280  -1.492  -7.327
  499   1HA   GLY  66           HA1      GLY  66   6.272  -3.002  -8.888
  500   2HA   GLY  66           HA2      GLY  66   7.896  -2.506  -8.294
  501    H    MET  67           HN       MET  67   5.201  -2.879  -6.047
  502    HA   MET  67           HA       MET  67   6.606  -4.684  -4.464
  503   1HB   MET  67           HB1      MET  67   3.660  -3.930  -4.473
  504   2HB   MET  67           HB2      MET  67   4.276  -5.159  -3.339
  505   1HG   MET  67           HG1      MET  67   5.450  -2.312  -3.480
  506   2HG   MET  67           HG2      MET  67   4.077  -2.794  -2.446
  507   1HE   MET  67           HE1      MET  67   4.130  -3.918  -0.225
  508   2HE   MET  67           HE2      MET  67   5.443  -4.969   0.381
  509   3HE   MET  67           HE3      MET  67   4.510  -5.491  -1.066
  510    H    ASN  68           HN       ASN  68   6.406  -7.023  -4.103
  511    HA   ASN  68           HA       ASN  68   4.385  -8.503  -5.304
  512   1HB   ASN  68           HB1      ASN  68   6.249  -7.929  -7.305
  513   2HB   ASN  68           HB2      ASN  68   7.020  -9.350  -6.588
  514   1HD2  ASN  68          HD21      ASN  68   3.819 -11.339  -7.348
  515   2HD2  ASN  68          HD22      ASN  68   4.527 -10.775  -5.865
  516    H    LEU  69           HN       LEU  69   4.209 -10.182  -4.000
  517    HA   LEU  69           HA       LEU  69   6.143 -10.426  -1.935
  518   1HB   LEU  69           HB1      LEU  69   4.647 -11.821  -0.679
  519   2HB   LEU  69           HB2      LEU  69   4.001 -10.240  -1.126
  520    HG   LEU  69           HG       LEU  69   3.121 -13.011  -1.986
  521   1HD1  LEU  69          HD11      LEU  69   0.872 -12.062  -1.360
  522   2HD1  LEU  69          HD12      LEU  69   2.081 -11.908  -0.031
  523   3HD1  LEU  69          HD13      LEU  69   1.656 -10.469  -1.019
  524   1HD2  LEU  69          HD21      LEU  69   1.596 -12.151  -3.724
  525   2HD2  LEU  69          HD22      LEU  69   2.343 -10.514  -3.619
  526   3HD2  LEU  69          HD23      LEU  69   3.301 -11.929  -4.206
  527    H    GLU  70           HN       GLU  70   7.839 -11.212  -2.729
  528    HA   GLU  70           HA       GLU  70   9.319 -12.899  -2.764
  529   1HB   GLU  70           HB1      GLU  70   7.461 -14.585  -4.513
  530   2HB   GLU  70           HB2      GLU  70   9.191 -14.919  -4.177
  531   1HG   GLU  70           HG1      GLU  70   8.707 -15.180  -1.731
  532   2HG   GLU  70           HG2      GLU  70   6.977 -14.813  -2.003
  533    H    ALA  71           HN       ALA  71  10.107 -11.006  -3.564
  534    HA   ALA  71           HA       ALA  71  10.109 -10.653  -6.489
  535   1HB   ALA  71           HB1      ALA  71  10.219  -8.133  -5.961
  536   2HB   ALA  71           HB2      ALA  71   8.668  -8.916  -5.591
  537   3HB   ALA  71           HB3      ALA  71   9.795  -8.583  -4.251
  538    H    ARG  72           HN       ARG  72  11.838  -8.334  -4.793
  539    HA   ARG  72           HA       ARG  72  14.397  -9.693  -5.276
  540   1HB   ARG  72           HB1      ARG  72  13.802  -6.689  -5.050
  541   2HB   ARG  72           HB2      ARG  72  15.361  -7.442  -5.501
  542   1HG   ARG  72           HG1      ARG  72  12.721  -7.531  -7.109
  543   2HG   ARG  72           HG2      ARG  72  14.115  -6.487  -7.452
  544   1HD   ARG  72           HD1      ARG  72  14.190  -9.590  -7.553
  545   2HD   ARG  72           HD2      ARG  72  13.941  -8.528  -8.982
  546    HE   ARG  72           HE       ARG  72  16.418  -8.685  -7.285
  547   1HH1  ARG  72          HH21      ARG  72  16.292  -6.081 -10.358
  548   2HH1  ARG  72          HH22      ARG  72  14.880  -7.032 -10.040
  549   1HH2  ARG  72          HH11      ARG  72  18.298  -7.602  -7.859
  550   2HH2  ARG  72          HH12      ARG  72  18.244  -6.406  -9.112
   
  No H/Q in entry =         550
  Start of MODEL    7
    1   1H    LEU   1           HT1      LEU   1   9.457   6.394   5.305
    2   2H    LEU   1           HT2      LEU   1  10.646   7.586   5.075
    3   3H    LEU   1           HT3      LEU   1   9.400   7.387   3.933
    4    HA   LEU   1           HA       LEU   1  11.396   6.482   3.132
    5   1HB   LEU   1           HB1      LEU   1  11.354   4.904   5.741
    6   2HB   LEU   1           HB2      LEU   1  12.248   4.296   4.320
    7    HG   LEU   1           HG       LEU   1  13.748   6.161   4.297
    8   1HD1  LEU   1          HD11      LEU   1  12.392   8.095   4.874
    9   2HD1  LEU   1          HD12      LEU   1  12.083   7.463   6.540
   10   3HD1  LEU   1          HD13      LEU   1  13.737   7.984   6.050
   11   1HD2  LEU   1          HD21      LEU   1  14.324   4.327   5.838
   12   2HD2  LEU   1          HD22      LEU   1  14.864   5.896   6.533
   13   3HD2  LEU   1          HD23      LEU   1  13.380   5.097   7.169
   14    H    CYS   2           HN       CYS   2   8.280   5.304   4.268
   15    HA   CYS   2           HA       CYS   2   7.951   3.087   2.619
   16   1HB   CYS   2           HB1      CYS   2   6.570   3.388   4.673
   17   2HB   CYS   2           HB2      CYS   2   5.856   4.908   3.925
   18    H    LEU   3           HN       LEU   3   7.183   3.078   0.442
   19    HA   LEU   3           HA       LEU   3   7.220   5.725  -0.712
   20   1HB   LEU   3           HB1      LEU   3   7.846   2.950  -1.751
   21   2HB   LEU   3           HB2      LEU   3   7.821   4.352  -2.884
   22    HG   LEU   3           HG       LEU   3   9.609   4.196  -0.412
   23   1HD1  LEU   3          HD11      LEU   3  11.515   3.695  -1.987
   24   2HD1  LEU   3          HD12      LEU   3  10.278   2.391  -1.987
   25   3HD1  LEU   3          HD13      LEU   3  10.347   3.563  -3.351
   26   1HD2  LEU   3          HD21      LEU   3  10.895   6.058  -1.488
   27   2HD2  LEU   3          HD22      LEU   3   9.677   6.124  -2.816
   28   3HD2  LEU   3          HD23      LEU   3   9.198   6.520  -1.124
   29    H    VAL   4           HN       VAL   4   5.046   4.122   0.444
   30    HA   VAL   4           HA       VAL   4   3.159   3.981  -1.815
   31    HB   VAL   4           HB       VAL   4   2.987   2.405   0.786
   32   1HG1  VAL   4          HG21      VAL   4   1.379   2.102  -1.786
   33   2HG1  VAL   4          HG22      VAL   4   1.258   1.088  -0.283
   34   3HG1  VAL   4          HG23      VAL   4   0.812   2.826  -0.235
   35   1HG2  VAL   4          HG11      VAL   4   4.138   1.496  -1.883
   36   2HG2  VAL   4          HG12      VAL   4   4.993   1.697  -0.317
   37   3HG2  VAL   4          HG13      VAL   4   3.736   0.427  -0.470
   38    H    CYS   5           HN       CYS   5   3.196   4.329   1.734
   39    HA   CYS   5           HA       CYS   5   0.988   6.287   1.419
   40   1HB   CYS   5           HB1      CYS   5   0.050   5.751   3.503
   41   2HB   CYS   5           HB2      CYS   5   0.166   4.291   2.520
   42    H    SER   6           HN       SER   6   4.062   6.284   1.398
   43    HA   SER   6           HA       SER   6   5.709   7.574   1.990
   44   1HB   SER   6           HB1      SER   6   3.729   9.806   1.863
   45   2HB   SER   6           HB2      SER   6   5.436   9.815   1.257
   46    HG   SER   6           HG1      SER   6   3.226   8.245   0.353
   47    H    ASP   7           HN       ASP   7   5.313   6.443   4.195
   48    HA   ASP   7           HA       ASP   7   5.296   8.457   6.383
   49   1HB   ASP   7           HB1      ASP   7   3.274   6.850   6.141
   50   2HB   ASP   7           HB2      ASP   7   4.385   5.481   6.280
   51    H    GLU   8           HN       GLU   8   6.754   7.634   8.263
   52    HA   GLU   8           HA       GLU   8   9.230   6.850   7.348
   53   1HB   GLU   8           HB1      GLU   8   8.829   6.338  10.252
   54   2HB   GLU   8           HB2      GLU   8  10.076   7.266   9.377
   55   1HG   GLU   8           HG1      GLU   8   8.362   9.172   9.123
   56   2HG   GLU   8           HG2      GLU   8   7.183   8.182  10.056
   57    H    ALA   9           HN       ALA   9   9.749   4.891   6.482
   58    HA   ALA   9           HA       ALA   9   8.240   2.572   7.170
   59   1HB   ALA   9           HB1      ALA   9   9.874   1.450   5.444
   60   2HB   ALA   9           HB2      ALA   9   8.754   2.666   4.813
   61   3HB   ALA   9           HB3      ALA   9  10.482   3.077   5.147
   62    H    SER  10           HN       SER  10   9.464   0.461   7.291
   63    HA   SER  10           HA       SER  10  11.502   0.574   9.400
   64   1HB   SER  10           HB1      SER  10   9.399  -1.574   8.727
   65   2HB   SER  10           HB2      SER  10  10.605  -1.686  10.067
   66    HG   SER  10           HG1      SER  10   8.550  -0.995  10.706
   67    H    GLY  11           HN       GLY  11  11.974   0.909   6.513
   68   1HA   GLY  11           HA1      GLY  11  13.818   0.228   5.374
   69   2HA   GLY  11           HA2      GLY  11  13.636  -1.459   5.997
   70    H    CYS  12           HN       CYS  12  12.992  -2.806   4.441
   71    HA   CYS  12           HA       CYS  12  10.914  -2.009   2.524
   72   1HB   CYS  12           HB1      CYS  12  11.945  -3.706   0.928
   73   2HB   CYS  12           HB2      CYS  12  12.907  -2.233   1.162
   74    HG1  CYS  12           HG1      CYS  12  14.421  -4.403   0.895
   75    H    HIS  13           HN       HIS  13   9.696  -4.147   1.784
   76    HA   HIS  13           HA       HIS  13   9.795  -6.126   3.940
   77   1HB   HIS  13           HB1      HIS  13   7.503  -4.202   3.527
   78   2HB   HIS  13           HB2      HIS  13   7.113  -5.895   3.898
   79    HD2  HIS  13           HD2      HIS  13   8.243  -6.971   6.321
   80    HE1  HIS  13           HE1      HIS  13   8.950  -3.158   7.988
   81    HE2  HIS  13           HE2      HIS  13   8.805  -5.657   8.454
   82    H    TYR  14           HN       TYR  14   9.359  -5.382   0.588
   83    HA   TYR  14           HA       TYR  14   9.181  -8.177   0.099
   84   1HB   TYR  14           HB1      TYR  14   6.840  -6.368  -0.671
   85   2HB   TYR  14           HB2      TYR  14   7.229  -7.648  -1.708
   86    HD1  TYR  14           HD1      TYR  14   7.861 -10.028  -0.187
   87    HD2  TYR  14           HD2      TYR  14   4.961  -7.040   0.755
   88    HE1  TYR  14           HE1      TYR  14   6.998 -11.463   1.577
   89    HE2  TYR  14           HE2      TYR  14   4.115  -8.449   2.572
   90    HH   TYR  14           HH       TYR  14   4.324 -10.370   3.720
   91    H    GLY  15           HN       GLY  15   8.433  -5.792  -2.322
   92   1HA   GLY  15           HA1      GLY  15  11.238  -6.067  -3.259
   93   2HA   GLY  15           HA2      GLY  15   9.760  -5.795  -4.236
   94    H    VAL  16           HN       VAL  16   9.339  -3.778  -1.623
   95    HA   VAL  16           HA       VAL  16  10.847  -1.545  -2.849
   96    HB   VAL  16           HB       VAL  16   7.941  -1.499  -1.935
   97   1HG1  VAL  16          HG21      VAL  16   9.380   0.704  -3.451
   98   2HG1  VAL  16          HG22      VAL  16   7.608   0.572  -3.097
   99   3HG1  VAL  16          HG23      VAL  16   8.752   0.748  -1.743
  100   1HG2  VAL  16          HG11      VAL  16   8.954  -1.459  -4.858
  101   2HG2  VAL  16          HG12      VAL  16   8.169  -2.852  -4.042
  102   3HG2  VAL  16          HG13      VAL  16   7.236  -1.350  -4.318
  103    H    LEU  17           HN       LEU  17  11.087   0.165  -1.481
  104    HA   LEU  17           HA       LEU  17  11.511  -0.316   1.272
  105   1HB   LEU  17           HB1      LEU  17  12.833   1.258  -0.365
  106   2HB   LEU  17           HB2      LEU  17  11.543   2.440  -0.073
  107    HG   LEU  17           HG       LEU  17  12.093   2.161   2.466
  108   1HD1  LEU  17          HD11      LEU  17  14.332   1.365   3.076
  109   2HD1  LEU  17          HD12      LEU  17  13.517   0.039   2.165
  110   3HD1  LEU  17          HD13      LEU  17  14.754   1.047   1.353
  111   1HD2  LEU  17          HD21      LEU  17  13.898   3.832   2.378
  112   2HD2  LEU  17          HD22      LEU  17  14.267   3.409   0.666
  113   3HD2  LEU  17          HD23      LEU  17  12.702   4.188   1.079
  114    H    THR  18           HN       THR  18   9.502  -0.851   2.229
  115    HA   THR  18           HA       THR  18   7.320   1.146   2.136
  116    HB   THR  18           HB       THR  18   6.070  -1.316   2.871
  117    HG1  THR  18           HG1      THR  18   8.027  -2.395   2.644
  118   1HG2  THR  18          HG21      THR  18   5.205  -1.694   0.717
  119   2HG2  THR  18          HG22      THR  18   5.243   0.072   1.066
  120   3HG2  THR  18          HG23      THR  18   6.464  -0.646  -0.076
  121    H    CYS  19           HN       CYS  19   5.835   0.874   4.052
  122    HA   CYS  19           HA       CYS  19   7.492   0.928   6.347
  123   1HB   CYS  19           HB1      CYS  19   5.686   1.664   7.707
  124   2HB   CYS  19           HB2      CYS  19   5.937   2.669   6.356
  125    H    GLY  20           HN       GLY  20   6.045  -0.106   8.415
  126   1HA   GLY  20           HA1      GLY  20   6.439  -2.907   8.220
  127   2HA   GLY  20           HA2      GLY  20   5.708  -1.967   9.571
  128    H    SER  21           HN       SER  21   3.530  -0.833   8.354
  129    HA   SER  21           HA       SER  21   1.650  -2.913   8.357
  130   1HB   SER  21           HB1      SER  21   1.314  -0.508   9.168
  131   2HB   SER  21           HB2      SER  21   1.199  -0.003   7.451
  132    HG   SER  21           HG1      SER  21  -0.441  -1.880   8.826
  133    H    CYS  22           HN       CYS  22   3.199  -1.140   5.624
  134    HA   CYS  22           HA       CYS  22   1.345  -1.884   3.696
  135   1HB   CYS  22           HB1      CYS  22   4.088  -0.684   3.463
  136   2HB   CYS  22           HB2      CYS  22   3.224  -1.267   2.005
  137    H    LYS  23           HN       LYS  23   3.886  -3.613   5.114
  138    HA   LYS  23           HA       LYS  23   4.348  -5.599   3.259
  139   1HB   LYS  23           HB1      LYS  23   5.686  -5.352   5.409
  140   2HB   LYS  23           HB2      LYS  23   4.280  -5.864   6.326
  141   1HG   LYS  23           HG1      LYS  23   4.452  -8.115   4.821
  142   2HG   LYS  23           HG2      LYS  23   6.130  -7.586   4.596
  143   1HD   LYS  23           HD1      LYS  23   6.336  -7.485   7.158
  144   2HD   LYS  23           HD2      LYS  23   4.648  -8.060   7.268
  145   1HE   LYS  23           HE1      LYS  23   5.267 -10.207   6.107
  146   2HE   LYS  23           HE2      LYS  23   6.979  -9.640   5.966
  147   1HZ   LYS  23           HZ1      LYS  23   7.080  -9.521   8.340
  148   2HZ   LYS  23           HZ2      LYS  23   5.472 -10.045   8.481
  149   3HZ   LYS  23           HZ3      LYS  23   6.647 -11.078   7.822
  150    H    VAL  24           HN       VAL  24   2.312  -5.655   6.091
  151    HA   VAL  24           HA       VAL  24   0.991  -8.026   5.650
  152    HB   VAL  24           HB       VAL  24   0.142  -5.612   7.395
  153   1HG1  VAL  24          HG21      VAL  24  -0.441  -8.601   7.868
  154   2HG1  VAL  24          HG22      VAL  24  -0.835  -7.229   8.990
  155   3HG1  VAL  24          HG23      VAL  24  -1.628  -7.334   7.379
  156   1HG2  VAL  24          HG11      VAL  24   2.184  -7.787   8.137
  157   2HG2  VAL  24          HG12      VAL  24   2.479  -6.014   7.923
  158   3HG2  VAL  24          HG13      VAL  24   1.465  -6.588   9.277
  159    H    PHE  25           HN       PHE  25   0.115  -4.784   4.951
  160    HA   PHE  25           HA       PHE  25  -2.541  -4.936   4.305
  161   1HB   PHE  25           HB1      PHE  25  -1.286  -2.848   4.729
  162   2HB   PHE  25           HB2      PHE  25  -0.165  -3.204   3.405
  163    HD1  PHE  25           HD2      PHE  25  -3.942  -2.638   3.899
  164    HD2  PHE  25           HD1      PHE  25  -0.434  -2.256   1.429
  165    HE1  PHE  25           HE2      PHE  25  -5.296  -1.587   2.111
  166    HE2  PHE  25           HE1      PHE  25  -1.745  -1.289  -0.322
  167    HZ   PHE  25           HZ       PHE  25  -4.225  -0.938  -0.040
  168    H    PHE  26           HN       PHE  26   0.307  -4.881   2.284
  169    HA   PHE  26           HA       PHE  26  -0.790  -5.468  -0.164
  170   1HB   PHE  26           HB1      PHE  26   1.391  -4.357   0.054
  171   2HB   PHE  26           HB2      PHE  26   2.078  -5.795   0.861
  172    HD1  PHE  26           HD1      PHE  26   0.407  -4.890  -2.470
  173    HD2  PHE  26           HD2      PHE  26   3.182  -7.380  -0.358
  174    HE1  PHE  26           HE1      PHE  26   1.256  -5.759  -4.608
  175    HE2  PHE  26           HE2      PHE  26   4.024  -8.258  -2.489
  176    HZ   PHE  26           HZ       PHE  26   3.110  -7.469  -4.624
  177    H    LYS  27           HN       LYS  27   0.805  -7.595   2.132
  178    HA   LYS  27           HA       LYS  27   0.727  -9.848   0.494
  179   1HB   LYS  27           HB1      LYS  27   2.494  -9.774   1.912
  180   2HB   LYS  27           HB2      LYS  27   1.506  -9.540   3.379
  181   1HG   LYS  27           HG1      LYS  27   1.440 -12.128   1.680
  182   2HG   LYS  27           HG2      LYS  27   2.700 -11.826   2.899
  183   1HD   LYS  27           HD1      LYS  27  -0.315 -12.123   3.442
  184   2HD   LYS  27           HD2      LYS  27   0.980 -13.272   3.836
  185   1HE   LYS  27           HE1      LYS  27   0.624 -10.459   5.107
  186   2HE   LYS  27           HE2      LYS  27   0.205 -12.037   5.858
  187   1HZ   LYS  27           HZ1      LYS  27   2.911 -11.168   5.039
  188   2HZ   LYS  27           HZ2      LYS  27   2.284 -11.213   6.617
  189   3HZ   LYS  27           HZ3      LYS  27   2.502 -12.656   5.748
  190    H    ARG  28           HN       ARG  28  -1.717  -8.518   2.590
  191    HA   ARG  28           HA       ARG  28  -3.370 -10.885   2.374
  192   1HB   ARG  28           HB1      ARG  28  -3.279  -9.006   4.350
  193   2HB   ARG  28           HB2      ARG  28  -4.468  -8.193   3.306
  194   1HG   ARG  28           HG1      ARG  28  -5.749  -9.451   4.843
  195   2HG   ARG  28           HG2      ARG  28  -5.813 -10.435   3.347
  196   1HD   ARG  28           HD1      ARG  28  -4.011 -11.962   4.271
  197   2HD   ARG  28           HD2      ARG  28  -3.845 -10.886   5.721
  198    HE   ARG  28           HE       ARG  28  -6.305 -11.414   6.143
  199   1HH1  ARG  28          HH21      ARG  28  -4.247 -14.847   6.517
  200   2HH1  ARG  28          HH22      ARG  28  -3.741 -13.731   5.291
  201   1HH2  ARG  28          HH11      ARG  28  -6.160 -14.417   7.795
  202   2HH2  ARG  28          HH12      ARG  28  -7.089 -12.980   7.526
  203    H    ALA  29           HN       ALA  29  -3.000  -7.691   1.020
  204    HA   ALA  29           HA       ALA  29  -5.370  -7.523  -0.406
  205   1HB   ALA  29           HB1      ALA  29  -4.202  -5.631  -1.669
  206   2HB   ALA  29           HB2      ALA  29  -4.118  -5.503   0.106
  207   3HB   ALA  29           HB3      ALA  29  -2.690  -6.103  -0.815
  208    H    VAL  30           HN       VAL  30  -2.465  -9.266  -1.139
  209    HA   VAL  30           HA       VAL  30  -2.897  -9.384  -3.980
  210    HB   VAL  30           HB       VAL  30  -0.859 -10.623  -2.099
  211   1HG1  VAL  30          HG21      VAL  30  -1.010 -10.845  -5.162
  212   2HG1  VAL  30          HG22      VAL  30   0.397 -11.374  -4.149
  213   3HG1  VAL  30          HG23      VAL  30  -1.217 -12.199  -3.980
  214   1HG2  VAL  30          HG11      VAL  30  -0.199  -8.659  -4.358
  215   2HG2  VAL  30          HG12      VAL  30  -0.745  -8.050  -2.776
  216   3HG2  VAL  30          HG13      VAL  30   0.728  -9.066  -2.861
  217    H    GLU  31           HN       GLU  31  -2.608 -11.787  -1.410
  218    HA   GLU  31           HA       GLU  31  -4.418 -13.590  -2.879
  219   1HB   GLU  31           HB1      GLU  31  -3.424 -15.450  -1.562
  220   2HB   GLU  31           HB2      GLU  31  -2.379 -14.664  -2.774
  221   1HG   GLU  31           HG1      GLU  31  -1.216 -13.337  -1.032
  222   2HG   GLU  31           HG2      GLU  31  -2.257 -14.039   0.251
  223    H    GLY  32           HN       GLY  32  -5.868 -11.856  -1.933
  224   1HA   GLY  32           HA1      GLY  32  -7.143 -13.069   0.470
  225   2HA   GLY  32           HA2      GLY  32  -6.833 -11.290   0.357
  226    H    GLN  33           HN       GLN  33  -9.095 -11.386   0.947
  227    HA   GLN  33           HA       GLN  33 -10.844 -11.442  -1.404
  228   1HB   GLN  33           HB1      GLN  33 -11.424 -11.380   1.629
  229   2HB   GLN  33           HB2      GLN  33 -12.684 -11.119   0.394
  230   1HG   GLN  33           HG1      GLN  33 -11.033 -13.710   0.783
  231   2HG   GLN  33           HG2      GLN  33 -12.713 -13.437   1.337
  232   1HE2  GLN  33          HE21      GLN  33 -13.963 -12.230  -0.862
  233   2HE2  GLN  33          HE22      GLN  33 -13.966 -13.313  -2.212
  234    H    HIS  34           HN       HIS  34 -10.872  -9.551  -2.366
  235    HA   HIS  34           HA       HIS  34  -9.949  -7.187  -0.978
  236   1HB   HIS  34           HB1      HIS  34  -9.652  -8.359  -3.589
  237   2HB   HIS  34           HB2      HIS  34 -10.518  -6.826  -3.847
  238    HD2  HIS  34           HD2      HIS  34  -7.430  -7.733  -1.335
  239    HE1  HIS  34           HE1      HIS  34  -6.642  -4.197  -3.555
  240    HE2  HIS  34           HE2      HIS  34  -5.794  -5.793  -1.753
  241    H    ASN  35           HN       ASN  35 -11.112  -5.361  -0.620
  242    HA   ASN  35           HA       ASN  35 -13.586  -4.849  -1.853
  243   1HB   ASN  35           HB1      ASN  35 -14.997  -4.878   0.336
  244   2HB   ASN  35           HB2      ASN  35 -14.709  -6.416  -0.493
  245   1HD2  ASN  35          HD21      ASN  35 -13.208  -8.011   2.264
  246   2HD2  ASN  35          HD22      ASN  35 -13.958  -8.115   0.707
  247    H    TYR  36           HN       TYR  36 -11.250  -3.413  -1.891
  248    HA   TYR  36           HA       TYR  36 -11.696  -1.239  -0.024
  249   1HB   TYR  36           HB1      TYR  36  -9.329  -1.493  -1.894
  250   2HB   TYR  36           HB2      TYR  36  -9.580  -0.309  -0.565
  251    HD1  TYR  36           HD1      TYR  36  -8.706  -3.878  -1.395
  252    HD2  TYR  36           HD2      TYR  36  -9.346  -0.983   1.714
  253    HE1  TYR  36           HE1      TYR  36  -7.473  -5.303   0.198
  254    HE2  TYR  36           HE2      TYR  36  -8.034  -2.355   3.275
  255    HH   TYR  36           HH       TYR  36  -6.592  -5.494   2.265
  256    H    LEU  37           HN       LEU  37 -10.398  -0.647  -3.234
  257    HA   LEU  37           HA       LEU  37 -11.023   0.441  -4.959
  258   1HB   LEU  37           HB1      LEU  37 -13.966   0.120  -4.169
  259   2HB   LEU  37           HB2      LEU  37 -13.392   0.817  -5.697
  260    HG   LEU  37           HG       LEU  37 -12.854  -2.064  -4.772
  261   1HD1  LEU  37          HD11      LEU  37 -14.507  -2.719  -6.520
  262   2HD1  LEU  37          HD12      LEU  37 -15.253  -1.705  -5.237
  263   3HD1  LEU  37          HD13      LEU  37 -14.867  -0.978  -6.843
  264   1HD2  LEU  37          HD21      LEU  37 -12.113  -2.437  -7.155
  265   2HD2  LEU  37          HD22      LEU  37 -12.232  -0.659  -7.456
  266   3HD2  LEU  37          HD23      LEU  37 -11.040  -1.307  -6.265
  267    H    CYS  38           HN       CYS  38 -11.302   2.544  -5.684
  268    HA   CYS  38           HA       CYS  38 -11.793   4.505  -3.626
  269   1HB   CYS  38           HB1      CYS  38  -9.448   4.301  -4.716
  270   2HB   CYS  38           HB2      CYS  38 -10.225   4.791  -6.254
  271    H    ALA  39           HN       ALA  39 -13.859   3.561  -4.195
  272    HA   ALA  39           HA       ALA  39 -15.904   3.723  -4.717
  273   1HB   ALA  39           HB1      ALA  39 -16.880   5.720  -5.759
  274   2HB   ALA  39           HB2      ALA  39 -15.528   6.123  -4.598
  275   3HB   ALA  39           HB3      ALA  39 -15.228   6.182  -6.376
  276    H    GLY  40           HN       GLY  40 -13.463   3.319  -6.762
  277   1HA   GLY  40           HA1      GLY  40 -13.210   1.686  -8.372
  278   2HA   GLY  40           HA2      GLY  40 -14.970   1.815  -8.807
  279    H    ARG  41           HN       ARG  41 -12.526   4.373  -8.238
  280    HA   ARG  41           HA       ARG  41 -12.831   5.334 -11.004
  281   1HB   ARG  41           HB1      ARG  41 -12.583   7.107  -8.508
  282   2HB   ARG  41           HB2      ARG  41 -12.738   7.633 -10.218
  283   1HG   ARG  41           HG1      ARG  41 -15.030   6.522 -10.240
  284   2HG   ARG  41           HG2      ARG  41 -14.794   6.138  -8.495
  285   1HD   ARG  41           HD1      ARG  41 -14.610   8.585  -7.960
  286   2HD   ARG  41           HD2      ARG  41 -14.891   9.001  -9.694
  287    HE   ARG  41           HE       ARG  41 -16.831   7.669  -7.815
  288   1HH1  ARG  41          HH21      ARG  41 -17.951   8.340 -11.628
  289   2HH1  ARG  41          HH22      ARG  41 -16.332   8.753 -11.171
  290   1HH2  ARG  41          HH11      ARG  41 -19.459   7.519 -10.036
  291   2HH2  ARG  41          HH12      ARG  41 -18.967   7.316  -8.387
  292    H    ASN  42           HN       ASN  42 -10.994   6.526  -8.349
  293    HA   ASN  42           HA       ASN  42  -8.814   6.093  -7.740
  294   1HB   ASN  42           HB1      ASN  42  -8.051   4.629  -9.644
  295   2HB   ASN  42           HB2      ASN  42  -8.074   6.048 -10.731
  296   1HD2  ASN  42          HD21      ASN  42  -5.154   6.585  -7.859
  297   2HD2  ASN  42          HD22      ASN  42  -6.847   6.513  -7.452
  298    H    ASP  43           HN       ASP  43  -9.576   8.057  -6.873
  299    HA   ASP  43           HA       ASP  43  -9.083  10.465  -8.491
  300   1HB   ASP  43           HB1      ASP  43 -10.388  11.623  -6.504
  301   2HB   ASP  43           HB2      ASP  43 -11.229  10.888  -7.904
  302    H    CYS  44           HN       CYS  44  -9.054   9.417  -5.003
  303    HA   CYS  44           HA       CYS  44  -7.523  11.561  -4.388
  304   1HB   CYS  44           HB1      CYS  44  -7.396  10.909  -2.122
  305   2HB   CYS  44           HB2      CYS  44  -9.003  10.492  -2.670
  306    H    ILE  45           HN       ILE  45  -5.446  11.482  -3.022
  307    HA   ILE  45           HA       ILE  45  -3.355   9.818  -4.273
  308    HB   ILE  45           HB       ILE  45  -3.259  12.452  -2.694
  309   1HG1  ILE  45          HG11      ILE  45  -3.987  12.830  -4.977
  310   2HG1  ILE  45          HG12      ILE  45  -2.377  13.527  -4.680
  311   1HG2  ILE  45          HG21      ILE  45  -0.775  12.533  -3.125
  312   2HG2  ILE  45          HG22      ILE  45  -1.243  11.242  -1.982
  313   3HG2  ILE  45          HG23      ILE  45  -0.842  10.822  -3.687
  314   1HD1  ILE  45           HD1      ILE  45  -2.448  12.478  -6.923
  315   2HD1  ILE  45           HD2      ILE  45  -1.311  11.554  -5.874
  316   3HD1  ILE  45           HD3      ILE  45  -2.959  10.902  -6.216
  317    H    ILE  46           HN       ILE  46  -1.873   8.780  -2.663
  318    HA   ILE  46           HA       ILE  46  -3.092   8.490   0.003
  319    HB   ILE  46           HB       ILE  46  -2.675   6.457  -2.024
  320   1HG1  ILE  46          HG11      ILE  46  -3.992   5.038  -0.613
  321   2HG1  ILE  46          HG12      ILE  46  -3.732   6.068   0.839
  322   1HG2  ILE  46          HG21      ILE  46  -1.704   4.650  -0.736
  323   2HG2  ILE  46          HG22      ILE  46  -0.500   5.899  -1.140
  324   3HG2  ILE  46          HG23      ILE  46  -1.119   5.777   0.555
  325   1HD1  ILE  46           HD1      ILE  46  -5.976   6.169  -0.523
  326   2HD1  ILE  46           HD2      ILE  46  -5.242   7.739   0.008
  327   3HD1  ILE  46           HD3      ILE  46  -5.052   7.162  -1.698
  328    H    ASP  47           HN       ASP  47  -1.906   9.224   1.483
  329    HA   ASP  47           HA       ASP  47   0.857   8.726   1.549
  330   1HB   ASP  47           HB1      ASP  47   1.753  10.927   1.841
  331   2HB   ASP  47           HB2      ASP  47   1.123  10.697   0.209
  332    H    LYS  48           HN       LYS  48   1.414  10.153   3.843
  333    HA   LYS  48           HA       LYS  48   0.016   8.662   5.694
  334   1HB   LYS  48           HB1      LYS  48   1.486   9.839   7.390
  335   2HB   LYS  48           HB2      LYS  48   2.215   8.867   6.095
  336   1HG   LYS  48           HG1      LYS  48   3.554  10.835   6.455
  337   2HG   LYS  48           HG2      LYS  48   2.854  10.883   4.813
  338   1HD   LYS  48           HD1      LYS  48   1.187  12.540   5.488
  339   2HD   LYS  48           HD2      LYS  48   1.684  12.443   7.209
  340   1HE   LYS  48           HE1      LYS  48   3.482  13.441   4.879
  341   2HE   LYS  48           HE2      LYS  48   2.568  14.499   6.019
  342   1HZ   LYS  48           HZ1      LYS  48   4.846  14.250   6.629
  343   2HZ   LYS  48           HZ2      LYS  48   3.826  13.591   7.818
  344   3HZ   LYS  48           HZ3      LYS  48   4.677  12.565   6.765
  345    H    ILE  49           HN       ILE  49  -1.559  10.912   4.409
  346    HA   ILE  49           HA       ILE  49  -2.964  11.823   6.831
  347    HB   ILE  49           HB       ILE  49  -2.400  13.385   4.257
  348   1HG1  ILE  49          HG11      ILE  49  -0.555  13.611   5.785
  349   2HG1  ILE  49          HG12      ILE  49  -1.440  15.147   5.670
  350   1HG2  ILE  49          HG21      ILE  49  -3.800  15.268   5.156
  351   2HG2  ILE  49          HG22      ILE  49  -4.733  13.788   4.739
  352   3HG2  ILE  49          HG23      ILE  49  -4.388  14.169   6.469
  353   1HD1  ILE  49           HD1      ILE  49  -0.748  14.731   8.008
  354   2HD1  ILE  49           HD2      ILE  49  -2.545  14.673   7.905
  355   3HD1  ILE  49           HD3      ILE  49  -1.595  13.147   8.032
  356    H    ARG  50           HN       ARG  50  -3.098  11.397   3.366
  357    HA   ARG  50           HA       ARG  50  -5.914  11.042   3.216
  358   1HB   ARG  50           HB1      ARG  50  -3.662  10.671   1.188
  359   2HB   ARG  50           HB2      ARG  50  -5.412  10.550   0.767
  360   1HG   ARG  50           HG1      ARG  50  -5.797  12.788   0.859
  361   2HG   ARG  50           HG2      ARG  50  -4.610  13.111   2.156
  362   1HD   ARG  50           HD1      ARG  50  -2.728  13.030   0.663
  363   2HD   ARG  50           HD2      ARG  50  -3.694  12.346  -0.691
  364    HE   ARG  50           HE       ARG  50  -3.863  15.135   0.416
  365   1HH1  ARG  50          HH21      ARG  50  -6.264  14.082  -2.650
  366   2HH1  ARG  50          HH22      ARG  50  -5.190  12.881  -2.011
  367   1HH2  ARG  50          HH11      ARG  50  -6.210  16.276  -1.833
  368   2HH2  ARG  50          HH12      ARG  50  -5.097  16.717  -0.581
  369    H    ARG  51           HN       ARG  51  -3.613   9.006   4.262
  370    HA   ARG  51           HA       ARG  51  -4.238   6.511   3.164
  371   1HB   ARG  51           HB1      ARG  51  -2.131   6.661   4.081
  372   2HB   ARG  51           HB2      ARG  51  -2.666   7.563   5.519
  373   1HG   ARG  51           HG1      ARG  51  -3.471   4.623   5.226
  374   2HG   ARG  51           HG2      ARG  51  -1.775   5.036   5.611
  375   1HD   ARG  51           HD1      ARG  51  -2.415   6.278   7.638
  376   2HD   ARG  51           HD2      ARG  51  -4.178   6.050   7.283
  377    HE   ARG  51           HE       ARG  51  -2.318   3.720   7.661
  378   1HH1  ARG  51          HH21      ARG  51  -4.658   4.890  10.712
  379   2HH1  ARG  51          HH22      ARG  51  -4.657   5.852   9.271
  380   1HH2  ARG  51          HH11      ARG  51  -3.464   2.876  10.794
  381   2HH2  ARG  51          HH12      ARG  51  -2.570   2.332   9.413
  382    H    LYS  52           HN       LYS  52  -5.786   8.489   5.596
  383    HA   LYS  52           HA       LYS  52  -7.394   6.379   6.670
  384   1HB   LYS  52           HB1      LYS  52  -7.300   9.385   7.276
  385   2HB   LYS  52           HB2      LYS  52  -8.256   8.157   8.179
  386   1HG   LYS  52           HG1      LYS  52  -6.187   7.049   8.954
  387   2HG   LYS  52           HG2      LYS  52  -5.178   8.155   7.974
  388   1HD   LYS  52           HD1      LYS  52  -5.116   8.832  10.300
  389   2HD   LYS  52           HD2      LYS  52  -5.896  10.109   9.331
  390   1HE   LYS  52           HE1      LYS  52  -7.544   8.015  10.926
  391   2HE   LYS  52           HE2      LYS  52  -6.927   9.535  11.672
  392   1HZ   LYS  52           HZ1      LYS  52  -8.721   9.354   9.333
  393   2HZ   LYS  52           HZ2      LYS  52  -9.145   9.774  10.923
  394   3HZ   LYS  52           HZ3      LYS  52  -8.113  10.782  10.023
  395    H    ASN  53           HN       ASN  53  -7.518   8.084   3.822
  396    HA   ASN  53           HA       ASN  53 -10.340   8.728   3.892
  397   1HB   ASN  53           HB1      ASN  53  -8.257   9.234   1.648
  398   2HB   ASN  53           HB2      ASN  53  -9.961   9.696   1.564
  399   1HD2  ASN  53          HD21      ASN  53  -8.127  12.761   2.482
  400   2HD2  ASN  53          HD22      ASN  53  -8.225  11.661   1.147
  401    H    CYS  54           HN       CYS  54  -7.892   6.534   2.525
  402    HA   CYS  54           HA       CYS  54  -9.872   4.669   1.609
  403   1HB   CYS  54           HB1      CYS  54 -10.186   6.158  -0.224
  404   2HB   CYS  54           HB2      CYS  54  -8.519   6.732  -0.109
  405    HA   PRO  55           HA       PRO  55  -5.741   2.715   1.382
  406   1HB   PRO  55           HB1      PRO  55  -6.241   0.482   2.862
  407   2HB   PRO  55           HB2      PRO  55  -6.172   2.064   3.588
  408   1HG   PRO  55           HG1      PRO  55  -8.594   0.413   3.156
  409   2HG   PRO  55           HG2      PRO  55  -8.306   1.698   4.304
  410   1HD   PRO  55           HD1      PRO  55  -9.525   1.863   1.614
  411   2HD   PRO  55           HD2      PRO  55  -9.532   3.074   2.902
  412    H    ALA  56           HN       ALA  56  -7.320   2.791  -0.979
  413    HA   ALA  56           HA       ALA  56  -7.394   0.048  -1.969
  414   1HB   ALA  56           HB1      ALA  56  -8.904   0.756  -3.696
  415   2HB   ALA  56           HB2      ALA  56  -9.577   1.309  -2.105
  416   3HB   ALA  56           HB3      ALA  56  -8.800   2.480  -3.214
  417    H    CYS  57           HN       CYS  57  -6.693   3.534  -2.706
  418    HA   CYS  57           HA       CYS  57  -5.043   3.295  -4.840
  419   1HB   CYS  57           HB1      CYS  57  -5.152   5.203  -2.494
  420   2HB   CYS  57           HB2      CYS  57  -4.048   5.499  -3.849
  421    H    ARG  58           HN       ARG  58  -4.347   2.864  -1.490
  422    HA   ARG  58           HA       ARG  58  -1.623   2.882  -1.429
  423   1HB   ARG  58           HB1      ARG  58  -3.670   1.321   0.232
  424   2HB   ARG  58           HB2      ARG  58  -1.914   1.074   0.517
  425   1HG   ARG  58           HG1      ARG  58  -1.589   3.452   0.995
  426   2HG   ARG  58           HG2      ARG  58  -3.346   3.745   0.766
  427   1HD   ARG  58           HD1      ARG  58  -2.857   3.589   3.185
  428   2HD   ARG  58           HD2      ARG  58  -3.864   2.169   2.676
  429    HE   ARG  58           HE       ARG  58  -1.636   0.925   2.492
  430   1HH1  ARG  58          HH21      ARG  58  -2.163   1.849   6.368
  431   2HH1  ARG  58          HH22      ARG  58  -2.706   2.995   5.191
  432   1HH2  ARG  58          HH11      ARG  58  -1.040  -0.084   5.720
  433   2HH2  ARG  58          HH12      ARG  58  -0.734  -0.403   4.044
  434    H    TYR  59           HN       TYR  59  -3.846   0.299  -2.523
  435    HA   TYR  59           HA       TYR  59  -1.878  -1.760  -2.519
  436   1HB   TYR  59           HB1      TYR  59  -4.317  -2.221  -2.231
  437   2HB   TYR  59           HB2      TYR  59  -4.627  -1.592  -3.873
  438    HD1  TYR  59           HD1      TYR  59  -1.917  -4.026  -2.663
  439    HD2  TYR  59           HD2      TYR  59  -5.350  -3.345  -5.173
  440    HE1  TYR  59           HE1      TYR  59  -1.634  -6.273  -3.680
  441    HE2  TYR  59           HE2      TYR  59  -5.074  -5.583  -6.155
  442    HH   TYR  59           HH       TYR  59  -3.915  -7.488  -6.165
  443    H    ARG  60           HN       ARG  60  -3.392   0.399  -5.010
  444    HA   ARG  60           HA       ARG  60  -1.827  -0.679  -7.067
  445   1HB   ARG  60           HB1      ARG  60  -2.547   1.104  -8.552
  446   2HB   ARG  60           HB2      ARG  60  -3.885   0.252  -7.734
  447   1HG   ARG  60           HG1      ARG  60  -4.326   2.083  -6.254
  448   2HG   ARG  60           HG2      ARG  60  -2.788   2.909  -6.659
  449   1HD   ARG  60           HD1      ARG  60  -4.448   4.185  -7.735
  450   2HD   ARG  60           HD2      ARG  60  -3.674   3.256  -9.067
  451    HE   ARG  60           HE       ARG  60  -6.358   2.743  -7.795
  452   1HH1  ARG  60          HH21      ARG  60  -5.131   0.304 -10.761
  453   2HH1  ARG  60          HH22      ARG  60  -4.055   1.558 -10.241
  454   1HH2  ARG  60          HH11      ARG  60  -7.279   0.130  -9.832
  455   2HH2  ARG  60          HH12      ARG  60  -7.803   1.255  -8.623
  456    H    LYS  61           HN       LYS  61  -1.164   1.964  -4.812
  457    HA   LYS  61           HA       LYS  61   0.866   3.072  -6.315
  458   1HB   LYS  61           HB1      LYS  61  -0.495   4.239  -4.590
  459   2HB   LYS  61           HB2      LYS  61   0.377   3.363  -3.304
  460   1HG   LYS  61           HG1      LYS  61   2.430   4.499  -3.790
  461   2HG   LYS  61           HG2      LYS  61   1.894   4.954  -5.437
  462   1HD   LYS  61           HD1      LYS  61   0.287   6.593  -4.565
  463   2HD   LYS  61           HD2      LYS  61   0.638   6.119  -2.881
  464   1HE   LYS  61           HE1      LYS  61   2.995   6.963  -3.091
  465   2HE   LYS  61           HE2      LYS  61   2.706   7.363  -4.828
  466   1HZ   LYS  61           HZ1      LYS  61   2.528   9.250  -3.405
  467   2HZ   LYS  61           HZ2      LYS  61   1.043   8.915  -4.158
  468   3HZ   LYS  61           HZ3      LYS  61   1.271   8.530  -2.520
  469    H    CYS  62           HN       CYS  62   0.944   0.733  -3.702
  470    HA   CYS  62           HA       CYS  62   3.694   0.448  -3.632
  471   1HB   CYS  62           HB1      CYS  62   3.436  -1.280  -2.080
  472   2HB   CYS  62           HB2      CYS  62   2.163  -0.110  -1.788
  473    HG1  CYS  62           HG1      CYS  62   1.820  -2.959  -3.386
  474    H    LEU  63           HN       LEU  63   1.250  -1.206  -5.597
  475    HA   LEU  63           HA       LEU  63   2.909  -3.103  -6.761
  476   1HB   LEU  63           HB1      LEU  63   0.260  -1.803  -7.568
  477   2HB   LEU  63           HB2      LEU  63   1.042  -2.949  -8.689
  478    HG   LEU  63           HG       LEU  63   0.340  -3.709  -5.802
  479   1HD1  LEU  63          HD11      LEU  63  -1.672  -4.854  -6.766
  480   2HD1  LEU  63          HD12      LEU  63  -1.760  -3.067  -6.946
  481   3HD1  LEU  63          HD13      LEU  63  -1.341  -4.097  -8.363
  482   1HD2  LEU  63          HD21      LEU  63   0.509  -6.048  -6.709
  483   2HD2  LEU  63          HD22      LEU  63   1.008  -5.392  -8.308
  484   3HD2  LEU  63          HD23      LEU  63   2.065  -5.158  -6.867
  485    H    GLN  64           HN       GLN  64   2.088   0.247  -7.716
  486    HA   GLN  64           HA       GLN  64   3.406   0.283 -10.142
  487   1HB   GLN  64           HB1      GLN  64   2.581   2.468  -8.186
  488   2HB   GLN  64           HB2      GLN  64   3.421   2.878  -9.713
  489   1HG   GLN  64           HG1      GLN  64   1.640   2.043 -11.105
  490   2HG   GLN  64           HG2      GLN  64   0.827   1.217  -9.749
  491   1HE2  GLN  64          HE21      GLN  64   1.934   4.557 -10.741
  492   2HE2  GLN  64          HE22      GLN  64   0.578   5.400 -10.071
  493    H    ALA  65           HN       ALA  65   4.452   0.825  -6.886
  494    HA   ALA  65           HA       ALA  65   6.968   1.878  -7.388
  495   1HB   ALA  65           HB1      ALA  65   7.506   1.515  -5.034
  496   2HB   ALA  65           HB2      ALA  65   5.850   2.183  -5.207
  497   3HB   ALA  65           HB3      ALA  65   6.062   0.438  -4.855
  498    H    GLY  66           HN       GLY  66   5.857  -1.417  -7.094
  499   1HA   GLY  66           HA1      GLY  66   6.944  -2.934  -8.557
  500   2HA   GLY  66           HA2      GLY  66   8.536  -2.371  -7.939
  501    H    MET  67           HN       MET  67   5.724  -2.861  -5.831
  502    HA   MET  67           HA       MET  67   7.110  -4.549  -4.090
  503   1HB   MET  67           HB1      MET  67   4.126  -4.005  -4.382
  504   2HB   MET  67           HB2      MET  67   4.708  -5.198  -3.193
  505   1HG   MET  67           HG1      MET  67   5.535  -2.242  -3.172
  506   2HG   MET  67           HG2      MET  67   4.234  -3.026  -2.217
  507   1HE   MET  67           HE1      MET  67   4.414  -3.902   0.041
  508   2HE   MET  67           HE2      MET  67   5.813  -4.846   0.669
  509   3HE   MET  67           HE3      MET  67   4.895  -5.459  -0.746
  510    H    ASN  68           HN       ASN  68   6.856  -6.925  -3.621
  511    HA   ASN  68           HA       ASN  68   5.205  -8.420  -5.397
  512   1HB   ASN  68           HB1      ASN  68   7.553  -7.839  -6.711
  513   2HB   ASN  68           HB2      ASN  68   8.165  -9.195  -5.747
  514   1HD2  ASN  68          HD21      ASN  68   5.213  -9.808  -8.644
  515   2HD2  ASN  68          HD22      ASN  68   5.308  -8.319  -7.740
  516    H    LEU  69           HN       LEU  69   4.573 -10.163  -4.344
  517    HA   LEU  69           HA       LEU  69   5.813 -10.723  -1.790
  518   1HB   LEU  69           HB1      LEU  69   3.621 -10.164  -1.549
  519   2HB   LEU  69           HB2      LEU  69   3.111 -11.029  -3.043
  520    HG   LEU  69           HG       LEU  69   3.389 -13.238  -1.777
  521   1HD1  LEU  69          HD11      LEU  69   3.455 -13.163   0.711
  522   2HD1  LEU  69          HD12      LEU  69   4.957 -12.459   0.015
  523   3HD1  LEU  69          HD13      LEU  69   3.673 -11.373   0.662
  524   1HD2  LEU  69          HD21      LEU  69   1.258 -12.908  -0.452
  525   2HD2  LEU  69          HD22      LEU  69   1.351 -11.157  -0.874
  526   3HD2  LEU  69          HD23      LEU  69   1.206 -12.383  -2.172
  527    H    GLU  70           HN       GLU  70   7.125 -11.351  -4.189
  528    HA   GLU  70           HA       GLU  70   8.197 -13.839  -3.602
  529   1HB   GLU  70           HB1      GLU  70   6.975 -13.470  -6.415
  530   2HB   GLU  70           HB2      GLU  70   8.073 -14.806  -5.912
  531   1HG   GLU  70           HG1      GLU  70   6.249 -15.625  -4.311
  532   2HG   GLU  70           HG2      GLU  70   5.165 -14.341  -4.953
  533    H    ALA  71           HN       ALA  71   8.881 -11.279  -3.291
  534    HA   ALA  71           HA       ALA  71  10.436 -10.273  -5.519
  535   1HB   ALA  71           HB1      ALA  71  10.954  -8.361  -3.847
  536   2HB   ALA  71           HB2      ALA  71   9.239  -8.561  -4.240
  537   3HB   ALA  71           HB3      ALA  71   9.853  -9.216  -2.695
  538    H    ARG  72           HN       ARG  72  12.673  -9.352  -4.771
  539    HA   ARG  72           HA       ARG  72  14.192 -11.359  -3.269
  540   1HB   ARG  72           HB1      ARG  72  16.087 -10.980  -4.735
  541   2HB   ARG  72           HB2      ARG  72  14.682 -11.532  -5.676
  542   1HG   ARG  72           HG1      ARG  72  15.727  -8.625  -5.535
  543   2HG   ARG  72           HG2      ARG  72  16.020  -9.809  -6.838
  544   1HD   ARG  72           HD1      ARG  72  13.494  -9.873  -7.297
  545   2HD   ARG  72           HD2      ARG  72  13.306  -8.521  -6.097
  546    HE   ARG  72           HE       ARG  72  15.138  -8.310  -8.462
  547   1HH1  ARG  72          HH21      ARG  72  11.549  -6.486  -8.538
  548   2HH1  ARG  72          HH22      ARG  72  11.961  -7.406  -7.129
  549   1HH2  ARG  72          HH11      ARG  72  14.675  -6.924 -10.156
  550   2HH2  ARG  72          HH12      ARG  72  13.101  -6.211 -10.269
   
  No H/Q in entry =         550
  Start of MODEL    8
    1   1H    LEU   1           HT1      LEU   1  11.985   4.786   4.242
    2   2H    LEU   1           HT2      LEU   1  12.237   5.841   2.936
    3   3H    LEU   1           HT3      LEU   1  12.387   6.410   4.528
    4    HA   LEU   1           HA       LEU   1  10.100   5.990   4.927
    5   1HB   LEU   1           HB1      LEU   1  10.743   7.757   2.486
    6   2HB   LEU   1           HB2      LEU   1   9.108   7.680   3.191
    7    HG   LEU   1           HG       LEU   1  10.034   8.403   5.421
    8   1HD1  LEU   1          HD11      LEU   1  12.581   9.025   3.788
    9   2HD1  LEU   1          HD12      LEU   1  12.203   9.709   5.410
   10   3HD1  LEU   1          HD13      LEU   1  12.440   7.944   5.227
   11   1HD2  LEU   1          HD21      LEU   1  10.317  10.359   3.054
   12   2HD2  LEU   1          HD22      LEU   1   8.790   9.910   3.899
   13   3HD2  LEU   1          HD23      LEU   1  10.075  10.807   4.783
   14    H    CYS   2           HN       CYS   2   8.035   5.303   4.240
   15    HA   CYS   2           HA       CYS   2   7.736   3.147   2.560
   16   1HB   CYS   2           HB1      CYS   2   6.407   3.477   4.621
   17   2HB   CYS   2           HB2      CYS   2   5.681   4.997   3.893
   18    H    LEU   3           HN       LEU   3   7.058   3.094   0.388
   19    HA   LEU   3           HA       LEU   3   7.013   5.727  -0.785
   20   1HB   LEU   3           HB1      LEU   3   7.702   2.980  -1.810
   21   2HB   LEU   3           HB2      LEU   3   7.630   4.376  -2.949
   22    HG   LEU   3           HG       LEU   3   9.424   4.284  -0.468
   23   1HD1  LEU   3          HD11      LEU   3  11.363   3.917  -2.033
   24   2HD1  LEU   3          HD12      LEU   3  10.221   2.536  -2.001
   25   3HD1  LEU   3          HD13      LEU   3  10.206   3.683  -3.394
   26   1HD2  LEU   3          HD21      LEU   3  10.626   6.214  -1.502
   27   2HD2  LEU   3          HD22      LEU   3   9.437   6.232  -2.858
   28   3HD2  LEU   3          HD23      LEU   3   8.905   6.601  -1.176
   29    H    VAL   4           HN       VAL   4   4.880   4.216   0.421
   30    HA   VAL   4           HA       VAL   4   2.918   4.079  -1.764
   31    HB   VAL   4           HB       VAL   4   2.666   2.636   0.897
   32   1HG1  VAL   4          HG21      VAL   4   1.148   2.268  -1.715
   33   2HG1  VAL   4          HG22      VAL   4   0.925   1.325  -0.181
   34   3HG1  VAL   4          HG23      VAL   4   0.566   3.090  -0.222
   35   1HG2  VAL   4          HG11      VAL   4   3.939   1.518  -1.619
   36   2HG2  VAL   4          HG12      VAL   4   4.667   1.778  -0.002
   37   3HG2  VAL   4          HG13      VAL   4   3.373   0.548  -0.191
   38    H    CYS   5           HN       CYS   5   3.018   4.468   1.778
   39    HA   CYS   5           HA       CYS   5   0.934   6.555   1.485
   40   1HB   CYS   5           HB1      CYS   5   0.019   6.072   3.606
   41   2HB   CYS   5           HB2      CYS   5   0.041   4.607   2.623
   42    H    SER   6           HN       SER   6   3.938   6.495   1.378
   43    HA   SER   6           HA       SER   6   5.669   7.764   2.002
   44   1HB   SER   6           HB1      SER   6   3.725  10.024   1.914
   45   2HB   SER   6           HB2      SER   6   5.426  10.002   1.288
   46    HG   SER   6           HG1      SER   6   4.564   8.425  -0.216
   47    H    ASP   7           HN       ASP   7   5.421   6.629   4.177
   48    HA   ASP   7           HA       ASP   7   5.445   8.634   6.372
   49   1HB   ASP   7           HB1      ASP   7   3.380   7.080   6.131
   50   2HB   ASP   7           HB2      ASP   7   4.455   5.686   6.301
   51    H    GLU   8           HN       GLU   8   6.699   7.182   8.316
   52    HA   GLU   8           HA       GLU   8   9.269   6.723   7.367
   53   1HB   GLU   8           HB1      GLU   8   8.833   5.559  10.052
   54   2HB   GLU   8           HB2      GLU   8   9.975   6.800   9.478
   55   1HG   GLU   8           HG1      GLU   8   8.063   8.517   9.605
   56   2HG   GLU   8           HG2      GLU   8   6.990   7.213  10.228
   57    H    ALA   9           HN       ALA   9  10.193   4.862   6.458
   58    HA   ALA   9           HA       ALA   9   8.625   2.415   6.607
   59   1HB   ALA   9           HB1      ALA   9  10.427   1.553   4.899
   60   2HB   ALA   9           HB2      ALA   9   9.142   2.646   4.344
   61   3HB   ALA   9           HB3      ALA   9  10.812   3.287   4.701
   62    H    SER  10           HN       SER  10   9.253   0.600   7.517
   63    HA   SER  10           HA       SER  10  11.878  -0.031   8.207
   64   1HB   SER  10           HB1      SER  10  11.517  -0.219  10.749
   65   2HB   SER  10           HB2      SER  10  11.710   1.451  10.141
   66    HG   SER  10           HG1      SER  10   9.224   0.183  10.616
   67    H    GLY  11           HN       GLY  11  10.130  -1.118   6.476
   68   1HA   GLY  11           HA1      GLY  11   9.860  -3.718   7.462
   69   2HA   GLY  11           HA2      GLY  11   8.255  -2.870   7.425
   70    H    CYS  12           HN       CYS  12  11.232  -3.152   5.412
   71    HA   CYS  12           HA       CYS  12   9.649  -3.190   2.957
   72   1HB   CYS  12           HB1      CYS  12  11.882  -3.013   1.828
   73   2HB   CYS  12           HB2      CYS  12  11.483  -1.669   2.936
   74    HG1  CYS  12           HG1      CYS  12  12.891  -2.525   4.980
   75    H    HIS  13           HN       HIS  13   9.386  -5.234   1.741
   76    HA   HIS  13           HA       HIS  13  11.057  -7.433   2.669
   77   1HB   HIS  13           HB1      HIS  13   9.388  -7.139   4.635
   78   2HB   HIS  13           HB2      HIS  13   8.101  -7.623   3.505
   79    HD2  HIS  13           HD2      HIS  13   7.527 -10.252   4.005
   80    HE1  HIS  13           HE1      HIS  13  11.412 -11.486   5.121
   81    HE2  HIS  13           HE2      HIS  13   8.980 -12.206   4.803
   82    H    TYR  14           HN       TYR  14   8.883  -6.137   0.374
   83    HA   TYR  14           HA       TYR  14   8.807  -8.722  -1.004
   84   1HB   TYR  14           HB1      TYR  14   6.634  -6.556  -1.135
   85   2HB   TYR  14           HB2      TYR  14   6.591  -8.063  -1.971
   86    HD1  TYR  14           HD1      TYR  14   7.339 -10.255  -0.288
   87    HD2  TYR  14           HD2      TYR  14   4.926  -6.856   0.633
   88    HE1  TYR  14           HE1      TYR  14   6.522 -11.410   1.689
   89    HE2  TYR  14           HE2      TYR  14   4.079  -8.029   2.613
   90    HH   TYR  14           HH       TYR  14   4.102  -9.868   3.866
   91    H    GLY  15           HN       GLY  15   7.926  -5.911  -2.752
   92   1HA   GLY  15           HA1      GLY  15  10.633  -5.968  -3.910
   93   2HA   GLY  15           HA2      GLY  15   9.109  -5.365  -4.608
   94    H    VAL  16           HN       VAL  16   9.061  -3.805  -1.629
   95    HA   VAL  16           HA       VAL  16  10.752  -1.600  -2.692
   96    HB   VAL  16           HB       VAL  16   7.829  -1.364  -1.895
   97   1HG1  VAL  16          HG21      VAL  16   9.574   0.786  -3.165
   98   2HG1  VAL  16          HG22      VAL  16   7.776   0.820  -3.025
   99   3HG1  VAL  16          HG23      VAL  16   8.754   0.823  -1.538
  100   1HG2  VAL  16          HG11      VAL  16   9.002  -1.260  -4.750
  101   2HG2  VAL  16          HG12      VAL  16   7.983  -2.566  -4.055
  102   3HG2  VAL  16          HG13      VAL  16   7.284  -0.941  -4.303
  103    H    LEU  17           HN       LEU  17  11.016   0.086  -1.327
  104    HA   LEU  17           HA       LEU  17  11.413  -0.416   1.414
  105   1HB   LEU  17           HB1      LEU  17  12.937   1.031   0.083
  106   2HB   LEU  17           HB2      LEU  17  11.623   2.208  -0.151
  107    HG   LEU  17           HG       LEU  17  11.561   2.612   2.336
  108   1HD1  LEU  17          HD11      LEU  17  13.427   1.810   3.796
  109   2HD1  LEU  17          HD12      LEU  17  12.365   0.474   3.238
  110   3HD1  LEU  17          HD13      LEU  17  13.983   0.716   2.475
  111   1HD2  LEU  17          HD21      LEU  17  13.678   3.906   2.476
  112   2HD2  LEU  17          HD22      LEU  17  14.338   3.004   1.061
  113   3HD2  LEU  17          HD23      LEU  17  12.906   4.081   0.858
  114    H    THR  18           HN       THR  18   9.302  -0.976   2.202
  115    HA   THR  18           HA       THR  18   7.230   1.131   2.093
  116    HB   THR  18           HB       THR  18   5.759  -1.055   2.845
  117    HG1  THR  18           HG1      THR  18   6.621  -2.963   2.083
  118   1HG2  THR  18          HG21      THR  18   5.329  -1.812   0.631
  119   2HG2  THR  18          HG22      THR  18   5.506  -0.008   0.683
  120   3HG2  THR  18          HG23      THR  18   6.848  -1.049   0.003
  121    H    CYS  19           HN       CYS  19   5.674   0.825   3.969
  122    HA   CYS  19           HA       CYS  19   7.299   1.059   6.347
  123   1HB   CYS  19           HB1      CYS  19   5.561   1.840   7.673
  124   2HB   CYS  19           HB2      CYS  19   5.752   2.813   6.300
  125    H    GLY  20           HN       GLY  20   5.896   0.072   8.414
  126   1HA   GLY  20           HA1      GLY  20   6.252  -2.733   8.271
  127   2HA   GLY  20           HA2      GLY  20   5.511  -1.764   9.598
  128    H    SER  21           HN       SER  21   3.372  -0.632   8.327
  129    HA   SER  21           HA       SER  21   1.483  -2.708   8.320
  130   1HB   SER  21           HB1      SER  21   1.100   0.235   7.483
  131   2HB   SER  21           HB2      SER  21  -0.202  -0.912   7.963
  132    HG   SER  21           HG1      SER  21   0.853  -1.072   9.986
  133    H    CYS  22           HN       CYS  22   2.940  -0.858   5.569
  134    HA   CYS  22           HA       CYS  22   1.066  -1.683   3.690
  135   1HB   CYS  22           HB1      CYS  22   3.769  -0.400   3.330
  136   2HB   CYS  22           HB2      CYS  22   2.801  -0.942   1.925
  137    H    LYS  23           HN       LYS  23   3.770  -3.259   4.971
  138    HA   LYS  23           HA       LYS  23   4.257  -5.169   3.067
  139   1HB   LYS  23           HB1      LYS  23   5.700  -4.613   5.066
  140   2HB   LYS  23           HB2      LYS  23   4.513  -5.405   6.123
  141   1HG   LYS  23           HG1      LYS  23   4.940  -7.581   4.733
  142   2HG   LYS  23           HG2      LYS  23   6.303  -6.693   3.989
  143   1HD   LYS  23           HD1      LYS  23   5.887  -7.460   6.950
  144   2HD   LYS  23           HD2      LYS  23   7.112  -8.111   5.821
  145   1HE   LYS  23           HE1      LYS  23   8.178  -5.774   5.731
  146   2HE   LYS  23           HE2      LYS  23   6.999  -5.236   6.987
  147   1HZ   LYS  23           HZ1      LYS  23   9.008  -7.390   7.240
  148   2HZ   LYS  23           HZ2      LYS  23   9.049  -5.844   7.946
  149   3HZ   LYS  23           HZ3      LYS  23   7.859  -6.963   8.419
  150    H    VAL  24           HN       VAL  24   2.468  -5.440   6.069
  151    HA   VAL  24           HA       VAL  24   1.262  -7.869   5.679
  152    HB   VAL  24           HB       VAL  24   0.273  -5.529   7.442
  153   1HG1  VAL  24          HG21      VAL  24  -0.048  -8.558   7.920
  154   2HG1  VAL  24          HG22      VAL  24  -0.532  -7.227   9.054
  155   3HG1  VAL  24          HG23      VAL  24  -1.341  -7.389   7.455
  156   1HG2  VAL  24          HG11      VAL  24   2.504  -7.531   8.124
  157   2HG2  VAL  24          HG12      VAL  24   2.644  -5.744   7.893
  158   3HG2  VAL  24          HG13      VAL  24   1.726  -6.384   9.283
  159    H    PHE  25           HN       PHE  25   0.146  -4.705   4.947
  160    HA   PHE  25           HA       PHE  25  -2.507  -5.000   4.341
  161   1HB   PHE  25           HB1      PHE  25  -1.359  -2.830   4.592
  162   2HB   PHE  25           HB2      PHE  25  -0.217  -3.235   3.308
  163    HD1  PHE  25           HD1      PHE  25  -4.051  -3.028   3.565
  164    HD2  PHE  25           HD2      PHE  25  -0.431  -2.130   1.407
  165    HE1  PHE  25           HE1      PHE  25  -5.378  -2.125   1.677
  166    HE2  PHE  25           HE2      PHE  25  -1.733  -1.286  -0.456
  167    HZ   PHE  25           HZ       PHE  25  -4.216  -1.315  -0.373
  168    H    PHE  26           HN       PHE  26   0.301  -4.942   2.259
  169    HA   PHE  26           HA       PHE  26  -0.861  -5.595  -0.134
  170   1HB   PHE  26           HB1      PHE  26   1.266  -4.380   0.045
  171   2HB   PHE  26           HB2      PHE  26   2.061  -5.821   0.746
  172    HD1  PHE  26           HD2      PHE  26   0.124  -4.778  -2.363
  173    HD2  PHE  26           HD1      PHE  26   3.203  -7.247  -0.679
  174    HE1  PHE  26           HE2      PHE  26   0.828  -5.443  -4.627
  175    HE2  PHE  26           HE1      PHE  26   3.937  -7.872  -2.927
  176    HZ   PHE  26           HZ       PHE  26   2.745  -7.058  -4.916
  177    H    LYS  27           HN       LYS  27   0.745  -7.669   2.198
  178    HA   LYS  27           HA       LYS  27   0.719 -10.035   0.757
  179   1HB   LYS  27           HB1      LYS  27   2.309  -9.812   2.440
  180   2HB   LYS  27           HB2      LYS  27   1.100  -9.332   3.680
  181   1HG   LYS  27           HG1      LYS  27   1.985 -11.553   4.159
  182   2HG   LYS  27           HG2      LYS  27   0.252 -11.654   3.799
  183   1HD   LYS  27           HD1      LYS  27   0.675 -13.309   2.363
  184   2HD   LYS  27           HD2      LYS  27   1.468 -12.143   1.266
  185   1HE   LYS  27           HE1      LYS  27   3.681 -12.615   2.223
  186   2HE   LYS  27           HE2      LYS  27   2.958 -13.569   3.575
  187   1HZ   LYS  27           HZ1      LYS  27   2.108 -15.113   1.941
  188   2HZ   LYS  27           HZ2      LYS  27   2.910 -14.268   0.705
  189   3HZ   LYS  27           HZ3      LYS  27   3.803 -15.013   1.945
  190    H    ARG  28           HN       ARG  28  -1.844  -8.548   2.710
  191    HA   ARG  28           HA       ARG  28  -3.518 -10.912   2.366
  192   1HB   ARG  28           HB1      ARG  28  -3.518  -8.670   4.251
  193   2HB   ARG  28           HB2      ARG  28  -5.107  -8.778   3.468
  194   1HG   ARG  28           HG1      ARG  28  -5.316 -10.151   5.379
  195   2HG   ARG  28           HG2      ARG  28  -5.164 -11.271   4.004
  196   1HD   ARG  28           HD1      ARG  28  -3.765 -12.222   5.736
  197   2HD   ARG  28           HD2      ARG  28  -2.617 -11.460   4.578
  198    HE   ARG  28           HE       ARG  28  -2.357  -9.588   6.100
  199   1HH1  ARG  28          HH21      ARG  28  -4.907 -10.898   8.937
  200   2HH1  ARG  28          HH22      ARG  28  -4.669 -11.892   7.537
  201   1HH2  ARG  28          HH11      ARG  28  -3.694  -8.926   9.210
  202   2HH2  ARG  28          HH12      ARG  28  -2.537  -8.432   8.017
  203    H    ALA  29           HN       ALA  29  -3.071  -7.732   1.078
  204    HA   ALA  29           HA       ALA  29  -5.438  -7.458  -0.368
  205   1HB   ALA  29           HB1      ALA  29  -4.290  -5.581  -1.546
  206   2HB   ALA  29           HB2      ALA  29  -3.955  -5.523   0.207
  207   3HB   ALA  29           HB3      ALA  29  -2.704  -6.169  -0.904
  208    H    VAL  30           HN       VAL  30  -2.643  -9.354  -1.039
  209    HA   VAL  30           HA       VAL  30  -3.073  -9.460  -3.916
  210    HB   VAL  30           HB       VAL  30  -0.833 -10.415  -2.086
  211   1HG1  VAL  30          HG21      VAL  30  -1.075 -10.760  -5.134
  212   2HG1  VAL  30          HG22      VAL  30   0.433 -11.041  -4.170
  213   3HG1  VAL  30          HG23      VAL  30  -1.023 -12.075  -3.892
  214   1HG2  VAL  30          HG11      VAL  30  -0.508  -8.407  -4.381
  215   2HG2  VAL  30          HG12      VAL  30  -0.988  -7.881  -2.739
  216   3HG2  VAL  30          HG13      VAL  30   0.562  -8.740  -2.961
  217    H    GLU  31           HN       GLU  31  -2.082 -11.863  -1.560
  218    HA   GLU  31           HA       GLU  31  -3.927 -13.826  -2.729
  219   1HB   GLU  31           HB1      GLU  31  -2.397 -15.569  -1.789
  220   2HB   GLU  31           HB2      GLU  31  -1.773 -14.573  -3.129
  221   1HG   GLU  31           HG1      GLU  31  -0.483 -13.141  -1.552
  222   2HG   GLU  31           HG2      GLU  31  -1.103 -14.076  -0.154
  223    H    GLY  32           HN       GLY  32  -5.337 -12.354  -1.333
  224   1HA   GLY  32           HA1      GLY  32  -6.165 -14.025   0.868
  225   2HA   GLY  32           HA2      GLY  32  -5.550 -12.393   1.357
  226    H    GLN  33           HN       GLN  33  -7.496 -11.508   2.061
  227    HA   GLN  33           HA       GLN  33  -9.730 -11.338   0.192
  228   1HB   GLN  33           HB1      GLN  33 -10.231 -12.418   2.365
  229   2HB   GLN  33           HB2      GLN  33  -9.382 -11.125   3.238
  230   1HG   GLN  33           HG1      GLN  33 -11.773 -10.854   3.544
  231   2HG   GLN  33           HG2      GLN  33 -11.124  -9.475   2.608
  232   1HE2  GLN  33          HE21      GLN  33 -12.539  -8.872   0.994
  233   2HE2  GLN  33          HE22      GLN  33 -13.539  -9.924   0.047
  234    H    HIS  34           HN       HIS  34 -10.189  -9.335  -0.610
  235    HA   HIS  34           HA       HIS  34  -8.850  -6.988   0.509
  236   1HB   HIS  34           HB1      HIS  34  -9.037  -6.436  -2.277
  237   2HB   HIS  34           HB2      HIS  34  -7.584  -6.694  -1.290
  238    HD2  HIS  34           HD2      HIS  34  -6.851  -9.485  -0.958
  239    HE1  HIS  34           HE1      HIS  34  -8.080 -10.295  -4.934
  240    HE2  HIS  34           HE2      HIS  34  -6.681 -11.131  -2.964
  241    H    ASN  35           HN       ASN  35 -10.357  -5.326   0.786
  242    HA   ASN  35           HA       ASN  35 -12.792  -5.295  -0.754
  243   1HB   ASN  35           HB1      ASN  35 -14.275  -5.134   1.343
  244   2HB   ASN  35           HB2      ASN  35 -13.722  -6.749   0.849
  245   1HD2  ASN  35          HD21      ASN  35 -12.694  -5.296   4.560
  246   2HD2  ASN  35          HD22      ASN  35 -13.578  -4.334   3.423
  247    H    TYR  36           HN       TYR  36 -11.333  -3.539  -1.488
  248    HA   TYR  36           HA       TYR  36 -11.642  -1.147   0.177
  249   1HB   TYR  36           HB1      TYR  36  -9.525  -1.202  -1.951
  250   2HB   TYR  36           HB2      TYR  36  -9.571  -0.322  -0.380
  251    HD1  TYR  36           HD1      TYR  36  -9.566  -2.088   1.732
  252    HD2  TYR  36           HD2      TYR  36  -7.933  -2.860  -2.176
  253    HE1  TYR  36           HE1      TYR  36  -8.090  -3.813   2.689
  254    HE2  TYR  36           HE2      TYR  36  -6.448  -4.571  -1.216
  255    HH   TYR  36           HH       TYR  36  -6.469  -5.316   2.305
  256    H    LEU  37           HN       LEU  37 -11.900   0.877  -1.203
  257    HA   LEU  37           HA       LEU  37 -13.534   0.263  -3.590
  258   1HB   LEU  37           HB1      LEU  37 -14.062   2.327  -1.389
  259   2HB   LEU  37           HB2      LEU  37 -15.038   2.137  -2.880
  260    HG   LEU  37           HG       LEU  37 -14.704  -0.011  -0.692
  261   1HD1  LEU  37          HD11      LEU  37 -17.002   0.591   0.029
  262   2HD1  LEU  37          HD12      LEU  37 -15.859   1.965   0.223
  263   3HD1  LEU  37          HD13      LEU  37 -17.030   1.956  -1.148
  264   1HD2  LEU  37          HD21      LEU  37 -16.703  -1.084  -1.769
  265   2HD2  LEU  37          HD22      LEU  37 -16.630   0.124  -3.105
  266   3HD2  LEU  37          HD23      LEU  37 -15.279  -1.048  -2.865
  267    H    CYS  38           HN       CYS  38 -12.270   0.898  -5.250
  268    HA   CYS  38           HA       CYS  38 -12.483   3.368  -6.157
  269   1HB   CYS  38           HB1      CYS  38  -9.630   3.130  -5.077
  270   2HB   CYS  38           HB2      CYS  38  -9.869   3.797  -6.699
  271    H    ALA  39           HN       ALA  39 -13.293   2.283  -7.632
  272    HA   ALA  39           HA       ALA  39 -11.641   0.993  -9.603
  273   1HB   ALA  39           HB1      ALA  39 -13.470  -0.761  -9.977
  274   2HB   ALA  39           HB2      ALA  39 -12.738  -0.904  -8.339
  275   3HB   ALA  39           HB3      ALA  39 -14.328  -0.073  -8.532
  276    H    GLY  40           HN       GLY  40 -13.947   3.176  -8.541
  277   1HA   GLY  40           HA1      GLY  40 -15.569   3.435 -10.889
  278   2HA   GLY  40           HA2      GLY  40 -15.508   4.476  -9.419
  279    H    ARG  41           HN       ARG  41 -13.189   5.727  -9.238
  280    HA   ARG  41           HA       ARG  41 -12.553   6.800 -11.875
  281   1HB   ARG  41           HB1      ARG  41 -13.873   8.469 -10.726
  282   2HB   ARG  41           HB2      ARG  41 -12.942   8.269  -9.209
  283   1HG   ARG  41           HG1      ARG  41 -11.026   9.334 -10.048
  284   2HG   ARG  41           HG2      ARG  41 -11.477   9.061 -11.752
  285   1HD   ARG  41           HD1      ARG  41 -11.610  11.420 -11.288
  286   2HD   ARG  41           HD2      ARG  41 -13.286  10.834 -11.584
  287    HE   ARG  41           HE       ARG  41 -12.045  11.556  -8.932
  288   1HH1  ARG  41          HH21      ARG  41 -15.941  10.499  -9.053
  289   2HH1  ARG  41          HH22      ARG  41 -15.034  10.435 -10.527
  290   1HH2  ARG  41          HH11      ARG  41 -14.953  11.293  -7.084
  291   2HH2  ARG  41          HH12      ARG  41 -13.303  11.821  -7.086
  292    H    ASN  42           HN       ASN  42 -11.468   6.822  -8.541
  293    HA   ASN  42           HA       ASN  42  -9.637   6.162  -7.514
  294   1HB   ASN  42           HB1      ASN  42  -9.084   4.321  -9.088
  295   2HB   ASN  42           HB2      ASN  42  -8.278   5.469 -10.194
  296   1HD2  ASN  42          HD21      ASN  42  -5.263   5.758  -8.259
  297   2HD2  ASN  42          HD22      ASN  42  -6.227   6.472  -9.506
  298    H    ASP  43           HN       ASP  43  -9.582   8.162  -6.688
  299    HA   ASP  43           HA       ASP  43  -8.398  10.349  -8.272
  300   1HB   ASP  43           HB1      ASP  43  -9.733  11.806  -6.497
  301   2HB   ASP  43           HB2      ASP  43 -10.557  11.141  -7.953
  302    H    CYS  44           HN       CYS  44  -8.877   9.081  -4.877
  303    HA   CYS  44           HA       CYS  44  -7.558  11.012  -3.762
  304   1HB   CYS  44           HB1      CYS  44  -7.289   8.687  -1.989
  305   2HB   CYS  44           HB2      CYS  44  -8.445  10.018  -1.959
  306    H    ILE  45           HN       ILE  45  -5.484  11.346  -2.815
  307    HA   ILE  45           HA       ILE  45  -3.284   9.724  -3.901
  308    HB   ILE  45           HB       ILE  45  -3.276  12.467  -2.507
  309   1HG1  ILE  45          HG11      ILE  45  -4.201  12.687  -4.741
  310   2HG1  ILE  45          HG12      ILE  45  -2.588  13.442  -4.644
  311   1HG2  ILE  45          HG21      ILE  45  -0.839  12.617  -3.119
  312   2HG2  ILE  45          HG22      ILE  45  -1.161  11.308  -1.934
  313   3HG2  ILE  45          HG23      ILE  45  -0.879  10.902  -3.664
  314   1HD1  ILE  45           HD1      ILE  45  -2.874  12.249  -6.799
  315   2HD1  ILE  45           HD2      ILE  45  -1.575  11.458  -5.838
  316   3HD1  ILE  45           HD3      ILE  45  -3.208  10.703  -5.947
  317    H    ILE  46           HN       ILE  46  -2.334   8.317  -2.534
  318    HA   ILE  46           HA       ILE  46  -3.210   8.323   0.259
  319    HB   ILE  46           HB       ILE  46  -2.743   6.329  -1.831
  320   1HG1  ILE  46          HG11      ILE  46  -4.305   4.999  -0.677
  321   2HG1  ILE  46          HG12      ILE  46  -4.057   5.832   0.893
  322   1HG2  ILE  46          HG21      ILE  46  -1.989   4.492  -0.505
  323   2HG2  ILE  46          HG22      ILE  46  -0.662   5.679  -0.715
  324   3HG2  ILE  46          HG23      ILE  46  -1.492   5.559   0.880
  325   1HD1  ILE  46           HD1      ILE  46  -6.224   6.342  -0.361
  326   2HD1  ILE  46           HD2      ILE  46  -5.268   7.786   0.143
  327   3HD1  ILE  46           HD3      ILE  46  -5.229   7.204  -1.589
  328    H    ASP  47           HN       ASP  47  -2.039   9.178   1.662
  329    HA   ASP  47           HA       ASP  47   0.780   8.811   1.665
  330   1HB   ASP  47           HB1      ASP  47   1.494  11.052   1.994
  331   2HB   ASP  47           HB2      ASP  47   0.780  10.861   0.383
  332    H    LYS  48           HN       LYS  48   1.254  10.351   3.919
  333    HA   LYS  48           HA       LYS  48   0.215   8.718   5.880
  334   1HB   LYS  48           HB1      LYS  48   1.571  10.324   7.430
  335   2HB   LYS  48           HB2      LYS  48   2.373   9.277   6.241
  336   1HG   LYS  48           HG1      LYS  48   3.477  11.395   6.208
  337   2HG   LYS  48           HG2      LYS  48   2.658  11.161   4.647
  338   1HD   LYS  48           HD1      LYS  48   2.459  13.472   5.329
  339   2HD   LYS  48           HD2      LYS  48   0.831  12.742   5.366
  340   1HE   LYS  48           HE1      LYS  48   0.909  12.587   7.863
  341   2HE   LYS  48           HE2      LYS  48   2.631  13.131   7.868
  342   1HZ   LYS  48           HZ1      LYS  48   1.143  14.885   8.394
  343   2HZ   LYS  48           HZ2      LYS  48   1.927  15.201   6.920
  344   3HZ   LYS  48           HZ3      LYS  48   0.305  14.695   6.929
  345    H    ILE  49           HN       ILE  49  -1.295  11.322   4.540
  346    HA   ILE  49           HA       ILE  49  -2.724  12.069   6.977
  347    HB   ILE  49           HB       ILE  49  -1.267  13.540   5.070
  348   1HG1  ILE  49          HG11      ILE  49  -1.433  14.003   7.451
  349   2HG1  ILE  49          HG12      ILE  49  -1.633  15.458   6.431
  350   1HG2  ILE  49          HG21      ILE  49  -2.724  15.261   4.132
  351   2HG2  ILE  49          HG22      ILE  49  -3.049  13.619   3.469
  352   3HG2  ILE  49          HG23      ILE  49  -4.183  14.347   4.673
  353   1HD1  ILE  49           HD1      ILE  49  -4.133  15.392   6.821
  354   2HD1  ILE  49           HD2      ILE  49  -3.928  13.923   7.848
  355   3HD1  ILE  49           HD3      ILE  49  -3.213  15.493   8.365
  356    H    ARG  50           HN       ARG  50  -3.069  11.059   3.650
  357    HA   ARG  50           HA       ARG  50  -5.956  11.122   3.755
  358   1HB   ARG  50           HB1      ARG  50  -3.868  10.863   1.662
  359   2HB   ARG  50           HB2      ARG  50  -5.309   9.858   1.346
  360   1HG   ARG  50           HG1      ARG  50  -5.530  12.048   0.268
  361   2HG   ARG  50           HG2      ARG  50  -6.810  11.744   1.480
  362   1HD   ARG  50           HD1      ARG  50  -5.527  13.234   3.125
  363   2HD   ARG  50           HD2      ARG  50  -4.379  13.637   1.771
  364    HE   ARG  50           HE       ARG  50  -6.473  14.366   0.511
  365   1HH1  ARG  50          HH21      ARG  50  -6.226  16.736   3.764
  366   2HH1  ARG  50          HH22      ARG  50  -5.714  15.088   3.915
  367   1HH2  ARG  50          HH11      ARG  50  -7.161  17.504   1.760
  368   2HH2  ARG  50          HH12      ARG  50  -7.350  16.433   0.412
  369    H    ARG  51           HN       ARG  51  -3.505   8.860   4.478
  370    HA   ARG  51           HA       ARG  51  -4.814   6.425   4.092
  371   1HB   ARG  51           HB1      ARG  51  -2.391   6.528   4.541
  372   2HB   ARG  51           HB2      ARG  51  -2.688   7.263   6.139
  373   1HG   ARG  51           HG1      ARG  51  -3.900   5.047   6.784
  374   2HG   ARG  51           HG2      ARG  51  -3.300   4.372   5.244
  375   1HD   ARG  51           HD1      ARG  51  -0.967   4.580   5.997
  376   2HD   ARG  51           HD2      ARG  51  -1.453   5.597   7.420
  377    HE   ARG  51           HE       ARG  51  -2.811   3.581   8.154
  378   1HH1  ARG  51          HH21      ARG  51   1.029   2.395   8.202
  379   2HH1  ARG  51          HH22      ARG  51   0.538   3.477   6.941
  380   1HH2  ARG  51          HH11      ARG  51  -0.536   1.553   9.722
  381   2HH2  ARG  51          HH12      ARG  51  -2.204   2.004   9.601
  382    H    LYS  52           HN       LYS  52  -6.934   6.366   4.752
  383    HA   LYS  52           HA       LYS  52  -7.817   5.445   6.974
  384   1HB   LYS  52           HB1      LYS  52  -9.015   7.214   8.276
  385   2HB   LYS  52           HB2      LYS  52  -7.264   7.276   8.506
  386   1HG   LYS  52           HG1      LYS  52  -7.032   9.254   7.073
  387   2HG   LYS  52           HG2      LYS  52  -8.721   9.140   6.516
  388   1HD   LYS  52           HD1      LYS  52  -7.880   9.707   9.426
  389   2HD   LYS  52           HD2      LYS  52  -8.323  10.943   8.206
  390   1HE   LYS  52           HE1      LYS  52 -10.642   9.924   8.012
  391   2HE   LYS  52           HE2      LYS  52 -10.214   8.742   9.307
  392   1HZ   LYS  52           HZ1      LYS  52  -9.839  10.569  10.787
  393   2HZ   LYS  52           HZ2      LYS  52 -10.229  11.687   9.569
  394   3HZ   LYS  52           HZ3      LYS  52 -11.406  10.605  10.136
  395    H    ASN  53           HN       ASN  53  -8.057   7.429   4.235
  396    HA   ASN  53           HA       ASN  53 -10.921   7.492   4.092
  397   1HB   ASN  53           HB1      ASN  53  -8.820   8.536   2.063
  398   2HB   ASN  53           HB2      ASN  53 -10.579   8.775   1.941
  399   1HD2  ASN  53          HD21      ASN  53  -8.811  11.777   3.544
  400   2HD2  ASN  53          HD22      ASN  53  -8.395  10.779   2.189
  401    H    CYS  54           HN       CYS  54  -8.128   5.908   2.420
  402    HA   CYS  54           HA       CYS  54  -9.979   4.015   1.218
  403   1HB   CYS  54           HB1      CYS  54 -10.208   5.926  -0.239
  404   2HB   CYS  54           HB2      CYS  54  -8.456   6.191  -0.291
  405    HA   PRO  55           HA       PRO  55  -5.927   1.991   1.048
  406   1HB   PRO  55           HB1      PRO  55  -7.254  -0.573   1.636
  407   2HB   PRO  55           HB2      PRO  55  -6.133   0.311   2.632
  408   1HG   PRO  55           HG1      PRO  55  -8.790   0.046   3.278
  409   2HG   PRO  55           HG2      PRO  55  -7.836   1.438   3.749
  410   1HD   PRO  55           HD1      PRO  55  -9.655   1.206   1.318
  411   2HD   PRO  55           HD2      PRO  55  -9.615   2.473   2.557
  412    H    ALA  56           HN       ALA  56  -8.308   2.159  -1.292
  413    HA   ALA  56           HA       ALA  56  -7.696  -0.224  -2.758
  414   1HB   ALA  56           HB1      ALA  56  -9.132   0.944  -4.576
  415   2HB   ALA  56           HB2      ALA  56  -9.957   0.588  -3.032
  416   3HB   ALA  56           HB3      ALA  56  -9.385   2.237  -3.335
  417    H    CYS  57           HN       CYS  57  -7.097   3.319  -2.841
  418    HA   CYS  57           HA       CYS  57  -5.397   3.440  -4.981
  419   1HB   CYS  57           HB1      CYS  57  -5.821   5.166  -2.498
  420   2HB   CYS  57           HB2      CYS  57  -4.674   5.628  -3.756
  421    H    ARG  58           HN       ARG  58  -4.777   2.871  -1.595
  422    HA   ARG  58           HA       ARG  58  -2.053   2.916  -1.536
  423   1HB   ARG  58           HB1      ARG  58  -4.052   1.152   0.015
  424   2HB   ARG  58           HB2      ARG  58  -2.299   1.018   0.334
  425   1HG   ARG  58           HG1      ARG  58  -2.151   3.323   1.075
  426   2HG   ARG  58           HG2      ARG  58  -3.906   3.562   0.742
  427   1HD   ARG  58           HD1      ARG  58  -3.609   3.213   3.142
  428   2HD   ARG  58           HD2      ARG  58  -4.393   1.722   2.471
  429    HE   ARG  58           HE       ARG  58  -1.999   0.787   2.378
  430   1HH1  ARG  58          HH21      ARG  58  -3.070   1.261   6.213
  431   2HH1  ARG  58          HH22      ARG  58  -3.726   2.354   5.042
  432   1HH2  ARG  58          HH11      ARG  58  -1.461  -0.309   5.598
  433   2HH2  ARG  58          HH12      ARG  58  -0.901  -0.399   3.961
  434    H    TYR  59           HN       TYR  59  -4.215   0.341  -2.742
  435    HA   TYR  59           HA       TYR  59  -2.194  -1.666  -2.747
  436   1HB   TYR  59           HB1      TYR  59  -4.644  -2.177  -2.571
  437   2HB   TYR  59           HB2      TYR  59  -4.889  -1.546  -4.223
  438    HD1  TYR  59           HD1      TYR  59  -2.412  -3.974  -2.611
  439    HD2  TYR  59           HD2      TYR  59  -5.165  -3.204  -5.829
  440    HE1  TYR  59           HE1      TYR  59  -1.890  -6.185  -3.598
  441    HE2  TYR  59           HE2      TYR  59  -4.643  -5.408  -6.799
  442    HH   TYR  59           HH       TYR  59  -3.459  -7.308  -6.611
  443    H    ARG  60           HN       ARG  60  -3.600   0.617  -5.125
  444    HA   ARG  60           HA       ARG  60  -2.035  -0.224  -7.277
  445   1HB   ARG  60           HB1      ARG  60  -3.638   2.315  -6.761
  446   2HB   ARG  60           HB2      ARG  60  -2.723   2.062  -8.283
  447   1HG   ARG  60           HG1      ARG  60  -4.002   0.050  -8.834
  448   2HG   ARG  60           HG2      ARG  60  -4.851   0.087  -7.262
  449   1HD   ARG  60           HD1      ARG  60  -6.257   0.943  -9.208
  450   2HD   ARG  60           HD2      ARG  60  -6.079   2.094  -7.836
  451    HE   ARG  60           HE       ARG  60  -4.522   3.401  -9.128
  452   1HH1  ARG  60          HH21      ARG  60  -4.374   1.062 -12.397
  453   2HH1  ARG  60          HH22      ARG  60  -5.410   0.575 -11.095
  454   1HH2  ARG  60          HH11      ARG  60  -3.199   3.091 -12.277
  455   2HH2  ARG  60          HH12      ARG  60  -3.360   4.112 -10.888
  456    H    LYS  61           HN       LYS  61  -1.500   2.229  -4.789
  457    HA   LYS  61           HA       LYS  61   0.519   3.566  -6.048
  458   1HB   LYS  61           HB1      LYS  61  -1.053   4.384  -4.256
  459   2HB   LYS  61           HB2      LYS  61  -0.225   3.335  -3.083
  460   1HG   LYS  61           HG1      LYS  61   0.500   5.479  -2.680
  461   2HG   LYS  61           HG2      LYS  61   1.902   4.753  -3.529
  462   1HD   LYS  61           HD1      LYS  61  -0.233   6.520  -4.902
  463   2HD   LYS  61           HD2      LYS  61   1.177   7.207  -4.044
  464   1HE   LYS  61           HE1      LYS  61   2.749   6.007  -5.620
  465   2HE   LYS  61           HE2      LYS  61   1.331   5.377  -6.542
  466   1HZ   LYS  61           HZ1      LYS  61   2.251   7.331  -7.509
  467   2HZ   LYS  61           HZ2      LYS  61   0.661   7.604  -6.975
  468   3HZ   LYS  61           HZ3      LYS  61   1.972   8.223  -6.090
  469    H    CYS  62           HN       CYS  62   0.624   1.017  -3.642
  470    HA   CYS  62           HA       CYS  62   3.379   0.873  -3.454
  471   1HB   CYS  62           HB1      CYS  62   3.140  -1.033  -2.079
  472   2HB   CYS  62           HB2      CYS  62   1.813   0.056  -1.721
  473    HG1  CYS  62           HG1      CYS  62   1.664  -2.644  -3.613
  474    H    LEU  63           HN       LEU  63   1.129  -0.775  -5.648
  475    HA   LEU  63           HA       LEU  63   2.981  -2.453  -6.856
  476   1HB   LEU  63           HB1      LEU  63   0.275  -1.371  -7.754
  477   2HB   LEU  63           HB2      LEU  63   1.234  -2.425  -8.832
  478    HG   LEU  63           HG       LEU  63   0.410  -3.256  -5.994
  479   1HD1  LEU  63          HD11      LEU  63  -1.377  -4.618  -7.055
  480   2HD1  LEU  63          HD12      LEU  63  -1.631  -2.863  -7.360
  481   3HD1  LEU  63          HD13      LEU  63  -0.982  -3.920  -8.668
  482   1HD2  LEU  63          HD21      LEU  63   0.907  -5.580  -6.868
  483   2HD2  LEU  63          HD22      LEU  63   1.546  -4.851  -8.383
  484   3HD2  LEU  63          HD23      LEU  63   2.360  -4.524  -6.807
  485    H    GLN  64           HN       GLN  64   2.008   0.918  -7.564
  486    HA   GLN  64           HA       GLN  64   3.405   1.228  -9.931
  487   1HB   GLN  64           HB1      GLN  64   2.391   3.193  -7.835
  488   2HB   GLN  64           HB2      GLN  64   3.284   3.773  -9.274
  489   1HG   GLN  64           HG1      GLN  64   1.609   2.949 -10.822
  490   2HG   GLN  64           HG2      GLN  64   0.761   2.024  -9.556
  491   1HE2  GLN  64          HE21      GLN  64   1.795   5.439 -10.336
  492   2HE2  GLN  64          HE22      GLN  64   0.386   6.205  -9.682
  493    H    ALA  65           HN       ALA  65   4.293   1.507  -6.598
  494    HA   ALA  65           HA       ALA  65   6.785   2.695  -6.889
  495   1HB   ALA  65           HB1      ALA  65   7.211   2.218  -4.557
  496   2HB   ALA  65           HB2      ALA  65   5.493   2.700  -4.745
  497   3HB   ALA  65           HB3      ALA  65   5.903   0.970  -4.520
  498    H    GLY  66           HN       GLY  66   5.744  -0.607  -7.055
  499   1HA   GLY  66           HA1      GLY  66   6.951  -1.928  -8.611
  500   2HA   GLY  66           HA2      GLY  66   8.478  -1.483  -7.768
  501    H    MET  67           HN       MET  67   5.537  -2.142  -5.912
  502    HA   MET  67           HA       MET  67   6.826  -4.105  -4.409
  503   1HB   MET  67           HB1      MET  67   3.900  -3.309  -4.533
  504   2HB   MET  67           HB2      MET  67   4.387  -4.714  -3.558
  505   1HG   MET  67           HG1      MET  67   5.513  -1.887  -3.141
  506   2HG   MET  67           HG2      MET  67   4.178  -2.657  -2.231
  507   1HE   MET  67           HE1      MET  67   4.268  -3.888  -0.238
  508   2HE   MET  67           HE2      MET  67   5.666  -4.768   0.457
  509   3HE   MET  67           HE3      MET  67   4.815  -5.452  -0.976
  510    H    ASN  68           HN       ASN  68   6.531  -6.443  -4.205
  511    HA   ASN  68           HA       ASN  68   4.763  -7.773  -5.923
  512   1HB   ASN  68           HB1      ASN  68   7.009  -7.060  -7.426
  513   2HB   ASN  68           HB2      ASN  68   7.656  -8.508  -6.671
  514   1HD2  ASN  68          HD21      ASN  68   4.640 -10.375  -8.329
  515   2HD2  ASN  68          HD22      ASN  68   4.818  -9.833  -6.691
  516    H    LEU  69           HN       LEU  69   4.395  -9.603  -4.869
  517    HA   LEU  69           HA       LEU  69   5.989 -10.220  -2.539
  518   1HB   LEU  69           HB1      LEU  69   3.832  -9.784  -1.897
  519   2HB   LEU  69           HB2      LEU  69   3.132 -10.481  -3.395
  520    HG   LEU  69           HG       LEU  69   3.547 -12.802  -2.477
  521   1HD1  LEU  69          HD11      LEU  69   4.131 -13.175  -0.170
  522   2HD1  LEU  69          HD12      LEU  69   5.403 -12.089  -0.813
  523   3HD1  LEU  69          HD13      LEU  69   4.078 -11.414   0.214
  524   1HD2  LEU  69          HD21      LEU  69   1.674 -12.705  -0.824
  525   2HD2  LEU  69          HD22      LEU  69   1.748 -10.902  -0.886
  526   3HD2  LEU  69          HD23      LEU  69   1.344 -11.844  -2.365
  527    H    GLU  70           HN       GLU  70   6.834 -10.700  -5.195
  528    HA   GLU  70           HA       GLU  70   7.989 -13.237  -4.917
  529   1HB   GLU  70           HB1      GLU  70   6.399 -12.627  -7.479
  530   2HB   GLU  70           HB2      GLU  70   7.580 -13.971  -7.265
  531   1HG   GLU  70           HG1      GLU  70   6.059 -14.939  -5.454
  532   2HG   GLU  70           HG2      GLU  70   4.855 -13.653  -5.817
  533    H    ALA  71           HN       ALA  71   8.989 -11.052  -4.322
  534    HA   ALA  71           HA       ALA  71  10.484  -9.859  -6.572
  535   1HB   ALA  71           HB1      ALA  71  10.870  -7.919  -4.922
  536   2HB   ALA  71           HB2      ALA  71   9.158  -8.117  -5.389
  537   3HB   ALA  71           HB3      ALA  71   9.712  -8.737  -3.805
  538    H    ARG  72           HN       ARG  72  12.727  -9.026  -5.588
  539    HA   ARG  72           HA       ARG  72  13.803 -10.879  -3.634
  540   1HB   ARG  72           HB1      ARG  72  14.005 -11.737  -6.182
  541   2HB   ARG  72           HB2      ARG  72  15.348 -10.574  -6.256
  542   1HG   ARG  72           HG1      ARG  72  16.352 -11.763  -4.194
  543   2HG   ARG  72           HG2      ARG  72  14.997 -12.935  -4.295
  544   1HD   ARG  72           HD1      ARG  72  15.766 -13.467  -6.717
  545   2HD   ARG  72           HD2      ARG  72  17.240 -12.477  -6.393
  546    HE   ARG  72           HE       ARG  72  16.399 -15.009  -4.997
  547   1HH1  ARG  72          HH21      ARG  72  19.705 -13.118  -3.704
  548   2HH1  ARG  72          HH22      ARG  72  18.787 -12.373  -4.970
  549   1HH2  ARG  72          HH11      ARG  72  17.739 -16.069  -3.554
  550   2HH2  ARG  72          HH12      ARG  72  19.105 -15.236  -2.892
   
  No H/Q in entry =         550
  Start of MODEL    9
    1   1H    LEU   1           HT1      LEU   1  12.371   5.746   2.501
    2   2H    LEU   1           HT2      LEU   1  12.343   6.657   3.935
    3   3H    LEU   1           HT3      LEU   1  11.837   5.035   3.948
    4    HA   LEU   1           HA       LEU   1  10.005   6.491   4.047
    5   1HB   LEU   1           HB1      LEU   1  11.080   7.457   1.319
    6   2HB   LEU   1           HB2      LEU   1   9.429   7.831   1.887
    7    HG   LEU   1           HG       LEU   1  11.986   8.694   3.349
    8   1HD1  LEU   1          HD11      LEU   1  10.177  10.334   1.463
    9   2HD1  LEU   1          HD12      LEU   1  11.586  10.951   2.404
   10   3HD1  LEU   1          HD13      LEU   1  11.839   9.744   1.094
   11   1HD2  LEU   1          HD21      LEU   1  10.476  10.261   4.581
   12   2HD2  LEU   1          HD22      LEU   1   9.044   9.562   3.738
   13   3HD2  LEU   1          HD23      LEU   1  10.017   8.550   4.870
   14    H    CYS   2           HN       CYS   2   8.104   5.480   3.541
   15    HA   CYS   2           HA       CYS   2   7.860   3.157   2.090
   16   1HB   CYS   2           HB1      CYS   2   6.498   3.665   4.104
   17   2HB   CYS   2           HB2      CYS   2   5.775   5.100   3.234
   18    H    LEU   3           HN       LEU   3   7.081   2.871  -0.071
   19    HA   LEU   3           HA       LEU   3   7.034   5.380  -1.506
   20   1HB   LEU   3           HB1      LEU   3   7.744   2.553  -2.262
   21   2HB   LEU   3           HB2      LEU   3   7.659   3.844  -3.519
   22    HG   LEU   3           HG       LEU   3   9.453   3.980  -1.042
   23   1HD1  LEU   3          HD11      LEU   3  11.400   3.503  -2.551
   24   2HD1  LEU   3          HD12      LEU   3  10.263   2.126  -2.449
   25   3HD1  LEU   3          HD13      LEU   3  10.265   3.177  -3.913
   26   1HD2  LEU   3          HD21      LEU   3  10.638   5.832  -2.242
   27   2HD2  LEU   3          HD22      LEU   3   9.441   5.727  -3.585
   28   3HD2  LEU   3          HD23      LEU   3   8.917   6.230  -1.936
   29    H    VAL   4           HN       VAL   4   4.907   4.040  -0.149
   30    HA   VAL   4           HA       VAL   4   2.958   3.679  -2.319
   31    HB   VAL   4           HB       VAL   4   2.846   2.375   0.426
   32   1HG1  VAL   4          HG21      VAL   4   1.129   1.823  -2.030
   33   2HG1  VAL   4          HG22      VAL   4   1.071   0.949  -0.451
   34   3HG1  VAL   4          HG23      VAL   4   0.644   2.699  -0.527
   35   1HG2  VAL   4          HG11      VAL   4   3.868   1.182  -2.183
   36   2HG2  VAL   4          HG12      VAL   4   4.784   1.512  -0.671
   37   3HG2  VAL   4          HG13      VAL   4   3.507   0.247  -0.666
   38    H    CYS   5           HN       CYS   5   3.178   4.475   1.136
   39    HA   CYS   5           HA       CYS   5   1.008   6.442   0.715
   40   1HB   CYS   5           HB1      CYS   5   0.136   6.162   2.892
   41   2HB   CYS   5           HB2      CYS   5   0.150   4.619   2.036
   42    H    SER   6           HN       SER   6   4.030   6.333   0.593
   43    HA   SER   6           HA       SER   6   5.773   7.694   1.033
   44   1HB   SER   6           HB1      SER   6   3.809   9.925   0.806
   45   2HB   SER   6           HB2      SER   6   5.493   9.856   0.130
   46    HG   SER   6           HG1      SER   6   4.545   8.106  -1.174
   47    H    ASP   7           HN       ASP   7   5.428   6.702   3.292
   48    HA   ASP   7           HA       ASP   7   5.264   8.773   5.411
   49   1HB   ASP   7           HB1      ASP   7   3.380   7.045   5.156
   50   2HB   ASP   7           HB2      ASP   7   4.580   5.745   5.308
   51    H    GLU   8           HN       GLU   8   6.625   7.789   7.406
   52    HA   GLU   8           HA       GLU   8   9.248   7.351   6.587
   53   1HB   GLU   8           HB1      GLU   8   8.892   6.632   9.407
   54   2HB   GLU   8           HB2      GLU   8   9.846   7.926   8.668
   55   1HG   GLU   8           HG1      GLU   8   6.805   8.067   9.298
   56   2HG   GLU   8           HG2      GLU   8   8.106   8.649  10.372
   57    H    ALA   9           HN       ALA   9  10.107   5.393   5.813
   58    HA   ALA   9           HA       ALA   9   8.564   3.014   6.275
   59   1HB   ALA   9           HB1      ALA   9  10.480   1.960   4.748
   60   2HB   ALA   9           HB2      ALA   9   9.182   2.947   4.051
   61   3HB   ALA   9           HB3      ALA   9  10.821   3.671   4.388
   62    H    SER  10           HN       SER  10   9.381   1.019   6.926
   63    HA   SER  10           HA       SER  10  11.227   1.144   9.153
   64   1HB   SER  10           HB1      SER  10   8.917   0.064   9.337
   65   2HB   SER  10           HB2      SER  10   9.431  -1.164   8.141
   66    HG   SER  10           HG1      SER  10  10.535  -0.616  10.703
   67    H    GLY  11           HN       GLY  11  10.695  -0.361   5.936
   68   1HA   GLY  11           HA1      GLY  11  13.129  -0.428   4.958
   69   2HA   GLY  11           HA2      GLY  11  13.094  -1.920   6.000
   70    H    CYS  12           HN       CYS  12  13.361  -2.468   3.367
   71    HA   CYS  12           HA       CYS  12  10.828  -2.762   2.070
   72   1HB   CYS  12           HB1      CYS  12  12.080  -4.066   0.336
   73   2HB   CYS  12           HB2      CYS  12  12.720  -2.432   0.625
   74    HG1  CYS  12           HG1      CYS  12  14.673  -4.105   0.107
   75    H    HIS  13           HN       HIS  13   9.741  -4.886   1.585
   76    HA   HIS  13           HA       HIS  13  10.543  -6.960   3.574
   77   1HB   HIS  13           HB1      HIS  13   7.729  -5.783   3.263
   78   2HB   HIS  13           HB2      HIS  13   8.105  -7.302   4.140
   79    HD2  HIS  13           HD2      HIS  13   7.769  -3.575   4.964
   80    HE1  HIS  13           HE1      HIS  13   9.841  -5.447   8.144
   81    HE2  HIS  13           HE2      HIS  13   8.562  -3.364   7.397
   82    H    TYR  14           HN       TYR  14   9.090  -6.135   0.423
   83    HA   TYR  14           HA       TYR  14   8.963  -8.977  -0.180
   84   1HB   TYR  14           HB1      TYR  14   6.850  -6.814  -0.809
   85   2HB   TYR  14           HB2      TYR  14   6.776  -8.408  -1.463
   86    HD1  TYR  14           HD1      TYR  14   7.379 -10.411   0.499
   87    HD2  TYR  14           HD2      TYR  14   5.191  -6.767   0.988
   88    HE1  TYR  14           HE1      TYR  14   6.473 -11.257   2.599
   89    HE2  TYR  14           HE2      TYR  14   4.344  -7.580   3.109
   90    HH   TYR  14           HH       TYR  14   4.283  -9.216   4.611
   91    H    GLY  15           HN       GLY  15   8.258  -6.349  -2.350
   92   1HA   GLY  15           HA1      GLY  15  10.948  -6.755  -3.514
   93   2HA   GLY  15           HA2      GLY  15   9.442  -6.232  -4.331
   94    H    VAL  16           HN       VAL  16   9.137  -4.210  -1.839
   95    HA   VAL  16           HA       VAL  16  11.091  -2.258  -2.893
   96    HB   VAL  16           HB       VAL  16   8.117  -1.724  -2.549
   97   1HG1  VAL  16          HG21      VAL  16  10.272  -0.058  -3.941
   98   2HG1  VAL  16          HG22      VAL  16   8.500   0.173  -4.146
   99   3HG1  VAL  16          HG23      VAL  16   9.215   0.376  -2.521
  100   1HG2  VAL  16          HG11      VAL  16   9.497  -2.280  -5.254
  101   2HG2  VAL  16          HG12      VAL  16   8.352  -3.372  -4.401
  102   3HG2  VAL  16          HG13      VAL  16   7.777  -1.785  -4.984
  103    H    LEU  17           HN       LEU  17  11.226  -0.390  -1.650
  104    HA   LEU  17           HA       LEU  17  11.299  -0.670   1.142
  105   1HB   LEU  17           HB1      LEU  17  12.891   0.761  -0.139
  106   2HB   LEU  17           HB2      LEU  17  11.557   1.841  -0.609
  107    HG   LEU  17           HG       LEU  17  11.218   2.485   1.784
  108   1HD1  LEU  17          HD11      LEU  17  12.934   1.914   3.518
  109   2HD1  LEU  17          HD12      LEU  17  11.952   0.507   2.990
  110   3HD1  LEU  17          HD13      LEU  17  13.647   0.696   2.394
  111   1HD2  LEU  17          HD21      LEU  17  13.265   3.878   2.016
  112   2HD2  LEU  17          HD22      LEU  17  14.117   2.860   0.799
  113   3HD2  LEU  17          HD23      LEU  17  12.690   3.845   0.310
  114    H    THR  18           HN       THR  18   9.532  -0.647   2.460
  115    HA   THR  18           HA       THR  18   7.315   1.191   1.873
  116    HB   THR  18           HB       THR  18   5.877  -0.977   2.825
  117    HG1  THR  18           HG1      THR  18   7.763  -2.171   3.221
  118   1HG2  THR  18          HG21      THR  18   5.407  -1.878   0.641
  119   2HG2  THR  18          HG22      THR  18   5.492  -0.069   0.621
  120   3HG2  THR  18          HG23      THR  18   6.863  -1.058  -0.064
  121    H    CYS  19           HN       CYS  19   5.745   0.990   3.765
  122    HA   CYS  19           HA       CYS  19   7.359   1.524   6.090
  123   1HB   CYS  19           HB1      CYS  19   5.540   2.361   7.310
  124   2HB   CYS  19           HB2      CYS  19   5.738   3.188   5.832
  125    H    GLY  20           HN       GLY  20   5.557   0.695   8.164
  126   1HA   GLY  20           HA1      GLY  20   6.216  -2.101   8.372
  127   2HA   GLY  20           HA2      GLY  20   5.365  -1.032   9.550
  128    H    SER  21           HN       SER  21   3.284  -0.087   8.087
  129    HA   SER  21           HA       SER  21   1.448  -2.217   8.197
  130   1HB   SER  21           HB1      SER  21   1.010   0.639   7.107
  131   2HB   SER  21           HB2      SER  21  -0.276  -0.521   7.604
  132    HG   SER  21           HG1      SER  21   0.797  -0.533   9.675
  133    H    CYS  22           HN       CYS  22   2.995  -0.640   5.333
  134    HA   CYS  22           HA       CYS  22   1.136  -1.615   3.514
  135   1HB   CYS  22           HB1      CYS  22   3.847  -0.408   3.037
  136   2HB   CYS  22           HB2      CYS  22   2.828  -1.037   1.702
  137    H    LYS  23           HN       LYS  23   3.777  -3.117   5.004
  138    HA   LYS  23           HA       LYS  23   4.270  -5.228   3.325
  139   1HB   LYS  23           HB1      LYS  23   5.735  -4.657   5.246
  140   2HB   LYS  23           HB2      LYS  23   4.408  -4.979   6.377
  141   1HG   LYS  23           HG1      LYS  23   4.502  -7.472   5.502
  142   2HG   LYS  23           HG2      LYS  23   6.075  -7.013   4.799
  143   1HD   LYS  23           HD1      LYS  23   6.845  -6.337   7.132
  144   2HD   LYS  23           HD2      LYS  23   5.228  -6.769   7.764
  145   1HE   LYS  23           HE1      LYS  23   5.585  -9.174   6.996
  146   2HE   LYS  23           HE2      LYS  23   7.258  -8.729   6.478
  147   1HZ   LYS  23           HZ1      LYS  23   7.685  -8.051   8.748
  148   2HZ   LYS  23           HZ2      LYS  23   6.128  -8.549   9.207
  149   3HZ   LYS  23           HZ3      LYS  23   7.246  -9.687   8.626
  150    H    VAL  24           HN       VAL  24   2.404  -5.170   6.283
  151    HA   VAL  24           HA       VAL  24   1.186  -7.613   6.102
  152    HB   VAL  24           HB       VAL  24   0.205  -5.115   7.636
  153   1HG1  VAL  24          HG21      VAL  24  -0.112  -8.089   8.387
  154   2HG1  VAL  24          HG22      VAL  24  -0.609  -6.658   9.391
  155   3HG1  VAL  24          HG23      VAL  24  -1.401  -6.971   7.806
  156   1HG2  VAL  24          HG11      VAL  24   2.441  -7.042   8.494
  157   2HG2  VAL  24          HG12      VAL  24   2.571  -5.275   8.124
  158   3HG2  VAL  24          HG13      VAL  24   1.651  -5.816   9.556
  159    H    PHE  25           HN       PHE  25   0.076  -4.511   5.099
  160    HA   PHE  25           HA       PHE  25  -2.563  -4.937   4.472
  161   1HB   PHE  25           HB1      PHE  25  -1.436  -2.716   4.585
  162   2HB   PHE  25           HB2      PHE  25  -0.292  -3.176   3.324
  163    HD1  PHE  25           HD1      PHE  25  -4.124  -2.937   3.646
  164    HD2  PHE  25           HD2      PHE  25  -0.562  -2.252   1.324
  165    HE1  PHE  25           HE1      PHE  25  -5.487  -1.994   1.802
  166    HE2  PHE  25           HE2      PHE  25  -1.895  -1.350  -0.484
  167    HZ   PHE  25           HZ       PHE  25  -4.380  -1.206  -0.279
  168    H    PHE  26           HN       PHE  26   0.284  -4.944   2.414
  169    HA   PHE  26           HA       PHE  26  -0.822  -5.821   0.069
  170   1HB   PHE  26           HB1      PHE  26   1.305  -4.567   0.234
  171   2HB   PHE  26           HB2      PHE  26   2.063  -5.904   1.149
  172    HD1  PHE  26           HD2      PHE  26   0.626  -5.013  -2.212
  173    HD2  PHE  26           HD1      PHE  26   3.165  -7.644   0.023
  174    HE1  PHE  26           HE2      PHE  26   1.584  -5.872  -4.325
  175    HE2  PHE  26           HE1      PHE  26   4.108  -8.522  -2.075
  176    HZ   PHE  26           HZ       PHE  26   3.292  -7.683  -4.252
  177    H    LYS  27           HN       LYS  27   0.638  -7.686   2.623
  178    HA   LYS  27           HA       LYS  27   0.754 -10.096   1.158
  179   1HB   LYS  27           HB1      LYS  27   2.324  -9.851   2.914
  180   2HB   LYS  27           HB2      LYS  27   1.020  -9.698   4.147
  181   1HG   LYS  27           HG1      LYS  27   0.362 -12.099   3.710
  182   2HG   LYS  27           HG2      LYS  27   1.608 -12.209   2.432
  183   1HD   LYS  27           HD1      LYS  27   2.313 -13.308   4.543
  184   2HD   LYS  27           HD2      LYS  27   3.411 -11.994   4.066
  185   1HE   LYS  27           HE1      LYS  27   3.046 -11.969   6.524
  186   2HE   LYS  27           HE2      LYS  27   2.350 -10.471   5.810
  187   1HZ   LYS  27           HZ1      LYS  27   0.196 -11.493   5.893
  188   2HZ   LYS  27           HZ2      LYS  27   0.853 -12.918   6.544
  189   3HZ   LYS  27           HZ3      LYS  27   0.927 -11.469   7.427
  190    H    ARG  28           HN       ARG  28  -1.845  -8.755   3.211
  191    HA   ARG  28           HA       ARG  28  -3.451 -11.146   2.731
  192   1HB   ARG  28           HB1      ARG  28  -3.959  -8.593   4.335
  193   2HB   ARG  28           HB2      ARG  28  -5.284  -9.721   3.894
  194   1HG   ARG  28           HG1      ARG  28  -4.853 -10.399   5.965
  195   2HG   ARG  28           HG2      ARG  28  -4.040 -11.633   4.982
  196   1HD   ARG  28           HD1      ARG  28  -1.951 -11.167   5.892
  197   2HD   ARG  28           HD2      ARG  28  -2.181  -9.393   5.738
  198    HE   ARG  28           HE       ARG  28  -3.143 -11.102   8.002
  199   1HH1  ARG  28          HH21      ARG  28  -4.244  -7.239   7.895
  200   2HH1  ARG  28          HH22      ARG  28  -3.401  -7.888   6.527
  201   1HH2  ARG  28          HH11      ARG  28  -4.559  -8.536   9.814
  202   2HH2  ARG  28          HH12      ARG  28  -3.954 -10.157   9.890
  203    H    ALA  29           HN       ALA  29  -3.100  -7.901   1.488
  204    HA   ALA  29           HA       ALA  29  -5.567  -7.723   0.173
  205   1HB   ALA  29           HB1      ALA  29  -4.576  -5.764  -1.045
  206   2HB   ALA  29           HB2      ALA  29  -4.322  -5.693   0.717
  207   3HB   ALA  29           HB3      ALA  29  -2.958  -6.205  -0.341
  208    H    VAL  30           HN       VAL  30  -2.463  -9.051  -0.780
  209    HA   VAL  30           HA       VAL  30  -3.094  -9.343  -3.565
  210    HB   VAL  30           HB       VAL  30  -0.762 -10.176  -1.780
  211   1HG1  VAL  30          HG21      VAL  30  -0.951 -10.485  -4.826
  212   2HG1  VAL  30          HG22      VAL  30   0.547 -10.726  -3.826
  213   3HG1  VAL  30          HG23      VAL  30  -0.871 -11.816  -3.595
  214   1HG2  VAL  30          HG11      VAL  30  -0.640  -8.080  -4.028
  215   2HG2  VAL  30          HG12      VAL  30  -1.004  -7.650  -2.322
  216   3HG2  VAL  30          HG13      VAL  30   0.550  -8.451  -2.717
  217    H    GLU  31           HN       GLU  31  -2.378 -11.368  -0.793
  218    HA   GLU  31           HA       GLU  31  -3.495 -13.762  -2.045
  219   1HB   GLU  31           HB1      GLU  31  -2.084 -13.547   0.661
  220   2HB   GLU  31           HB2      GLU  31  -2.466 -15.036  -0.258
  221   1HG   GLU  31           HG1      GLU  31  -0.895 -14.319  -2.093
  222   2HG   GLU  31           HG2      GLU  31  -0.506 -12.812  -1.198
  223    H    GLY  32           HN       GLY  32  -5.428 -12.081  -1.800
  224   1HA   GLY  32           HA1      GLY  32  -7.473 -13.244  -0.527
  225   2HA   GLY  32           HA2      GLY  32  -6.833 -12.030   0.675
  226    H    GLN  33           HN       GLN  33  -9.063 -11.097   0.220
  227    HA   GLN  33           HA       GLN  33  -8.738  -8.905  -1.610
  228   1HB   GLN  33           HB1      GLN  33 -11.013 -10.966  -1.843
  229   2HB   GLN  33           HB2      GLN  33 -11.295  -9.268  -2.304
  230   1HG   GLN  33           HG1      GLN  33  -9.135 -11.068  -3.611
  231   2HG   GLN  33           HG2      GLN  33 -10.786 -10.815  -4.239
  232   1HE2  GLN  33          HE21      GLN  33  -7.588  -9.301  -3.805
  233   2HE2  GLN  33          HE22      GLN  33  -7.907  -7.868  -4.723
  234    H    HIS  34           HN       HIS  34  -9.597  -7.125  -0.690
  235    HA   HIS  34           HA       HIS  34 -10.979  -7.481   1.875
  236   1HB   HIS  34           HB1      HIS  34  -8.992  -5.373   0.972
  237   2HB   HIS  34           HB2      HIS  34 -10.041  -5.167   2.410
  238    HD2  HIS  34           HD2      HIS  34  -7.622  -8.241   1.285
  239    HE1  HIS  34           HE1      HIS  34  -7.275  -7.433   5.417
  240    HE2  HIS  34           HE2      HIS  34  -6.507  -8.908   3.480
  241    H    ASN  35           HN       ASN  35 -11.047  -4.240   1.050
  242    HA   ASN  35           HA       ASN  35 -13.012  -4.250  -0.991
  243   1HB   ASN  35           HB1      ASN  35 -14.440  -4.886   1.072
  244   2HB   ASN  35           HB2      ASN  35 -13.937  -3.356   1.834
  245   1HD2  ASN  35          HD21      ASN  35 -16.608  -3.366  -1.417
  246   2HD2  ASN  35          HD22      ASN  35 -15.511  -4.685  -1.182
  247    H    TYR  36           HN       TYR  36 -11.656  -2.874  -2.074
  248    HA   TYR  36           HA       TYR  36 -11.084  -0.291  -0.869
  249   1HB   TYR  36           HB1      TYR  36  -9.329  -0.841  -3.129
  250   2HB   TYR  36           HB2      TYR  36  -8.925  -0.537  -1.407
  251    HD1  TYR  36           HD2      TYR  36  -9.786  -3.260  -3.853
  252    HD2  TYR  36           HD1      TYR  36  -7.948  -2.259  -0.086
  253    HE1  TYR  36           HE2      TYR  36  -8.832  -5.526  -3.704
  254    HE2  TYR  36           HE1      TYR  36  -6.958  -4.484   0.031
  255    HH   TYR  36           HH       TYR  36  -7.553  -6.951  -2.521
  256    H    LEU  37           HN       LEU  37 -11.808   1.446  -2.171
  257    HA   LEU  37           HA       LEU  37 -13.193   0.712  -4.667
  258   1HB   LEU  37           HB1      LEU  37 -14.218   2.572  -2.474
  259   2HB   LEU  37           HB2      LEU  37 -14.999   2.299  -4.068
  260    HG   LEU  37           HG       LEU  37 -14.566   0.098  -1.949
  261   1HD1  LEU  37          HD11      LEU  37 -16.956   0.390  -1.332
  262   2HD1  LEU  37          HD12      LEU  37 -15.979   1.857  -0.980
  263   3HD1  LEU  37          HD13      LEU  37 -17.067   1.828  -2.416
  264   1HD2  LEU  37          HD21      LEU  37 -16.335  -1.132  -3.234
  265   2HD2  LEU  37          HD22      LEU  37 -16.360   0.187  -4.462
  266   3HD2  LEU  37          HD23      LEU  37 -14.878  -0.811  -4.237
  267    H    CYS  38           HN       CYS  38 -11.192   1.472  -5.613
  268    HA   CYS  38           HA       CYS  38 -11.556   4.037  -6.672
  269   1HB   CYS  38           HB1      CYS  38  -8.843   3.594  -5.259
  270   2HB   CYS  38           HB2      CYS  38  -9.084   4.704  -6.625
  271    H    ALA  39           HN       ALA  39 -12.164   2.468  -8.094
  272    HA   ALA  39           HA       ALA  39 -10.052   1.068  -9.516
  273   1HB   ALA  39           HB1      ALA  39 -11.815  -0.582 -10.251
  274   2HB   ALA  39           HB2      ALA  39 -11.655  -0.539  -8.464
  275   3HB   ALA  39           HB3      ALA  39 -13.027   0.317  -9.255
  276    H    GLY  40           HN       GLY  40 -12.486   3.449  -9.485
  277   1HA   GLY  40           HA1      GLY  40 -11.978   4.149 -12.256
  278   2HA   GLY  40           HA2      GLY  40 -13.675   3.721 -11.771
  279    H    ARG  41           HN       ARG  41 -11.168   5.312  -9.718
  280    HA   ARG  41           HA       ARG  41 -12.633   7.840  -9.860
  281   1HB   ARG  41           HB1      ARG  41 -11.356   6.549  -7.381
  282   2HB   ARG  41           HB2      ARG  41 -12.013   8.219  -7.490
  283   1HG   ARG  41           HG1      ARG  41 -13.630   5.605  -7.794
  284   2HG   ARG  41           HG2      ARG  41 -13.526   6.614  -6.321
  285   1HD   ARG  41           HD1      ARG  41 -14.567   8.555  -7.555
  286   2HD   ARG  41           HD2      ARG  41 -14.709   7.527  -9.043
  287    HE   ARG  41           HE       ARG  41 -16.073   5.947  -7.574
  288   1HH1  ARG  41          HH21      ARG  41 -18.101   9.407  -7.877
  289   2HH1  ARG  41          HH22      ARG  41 -16.371   9.473  -7.854
  290   1HH2  ARG  41          HH11      ARG  41 -19.210   7.364  -7.563
  291   2HH2  ARG  41          HH12      ARG  41 -18.306   5.908  -7.308
  292    H    ASN  42           HN       ASN  42  -9.791   6.893  -8.144
  293    HA   ASN  42           HA       ASN  42  -7.669   7.247  -8.224
  294   1HB   ASN  42           HB1      ASN  42  -7.642   6.159 -10.478
  295   2HB   ASN  42           HB2      ASN  42  -7.915   7.743 -11.256
  296   1HD2  ASN  42          HD21      ASN  42  -4.449   8.506 -11.379
  297   2HD2  ASN  42          HD22      ASN  42  -6.056   8.794 -11.958
  298    H    ASP  43           HN       ASP  43  -8.750   8.921  -6.924
  299    HA   ASP  43           HA       ASP  43  -8.271  11.655  -7.901
  300   1HB   ASP  43           HB1      ASP  43  -9.806  12.299  -5.871
  301   2HB   ASP  43           HB2      ASP  43 -10.499  11.803  -7.452
  302    H    CYS  44           HN       CYS  44  -8.636  10.032  -4.685
  303    HA   CYS  44           HA       CYS  44  -7.227  11.847  -3.455
  304   1HB   CYS  44           HB1      CYS  44  -7.051   9.706  -1.628
  305   2HB   CYS  44           HB2      CYS  44  -8.391  10.808  -1.879
  306    H    ILE  45           HN       ILE  45  -5.191  11.894  -2.308
  307    HA   ILE  45           HA       ILE  45  -3.026  10.276  -3.477
  308    HB   ILE  45           HB       ILE  45  -2.948  12.782  -1.684
  309   1HG1  ILE  45          HG11      ILE  45  -3.659  13.423  -3.910
  310   2HG1  ILE  45          HG12      ILE  45  -2.014  14.018  -3.568
  311   1HG2  ILE  45          HG21      ILE  45  -0.468  12.830  -2.088
  312   2HG2  ILE  45          HG22      ILE  45  -0.974  11.386  -1.154
  313   3HG2  ILE  45          HG23      ILE  45  -0.570  11.225  -2.898
  314   1HD1  ILE  45           HD1      ILE  45  -2.175  13.199  -5.904
  315   2HD1  ILE  45           HD2      ILE  45  -1.040  12.154  -4.976
  316   3HD1  ILE  45           HD3      ILE  45  -2.709  11.575  -5.342
  317    H    ILE  46           HN       ILE  46  -2.470   8.550  -2.271
  318    HA   ILE  46           HA       ILE  46  -3.648   8.252   0.346
  319    HB   ILE  46           HB       ILE  46  -3.292   6.593  -1.809
  320   1HG1  ILE  46          HG11      ILE  46  -4.018   4.721  -0.451
  321   2HG1  ILE  46          HG12      ILE  46  -3.606   5.586   1.066
  322   1HG2  ILE  46          HG21      ILE  46  -1.791   4.772  -1.390
  323   2HG2  ILE  46          HG22      ILE  46  -0.828   6.280  -1.510
  324   3HG2  ILE  46          HG23      ILE  46  -1.130   5.519   0.105
  325   1HD1  ILE  46           HD1      ILE  46  -6.054   5.477   0.400
  326   2HD1  ILE  46           HD2      ILE  46  -5.472   7.173   0.656
  327   3HD1  ILE  46           HD3      ILE  46  -5.699   6.558  -1.000
  328    H    ASP  47           HN       ASP  47  -2.542   8.782   2.205
  329    HA   ASP  47           HA       ASP  47   0.179   8.240   2.253
  330   1HB   ASP  47           HB1      ASP  47   1.275  10.322   2.680
  331   2HB   ASP  47           HB2      ASP  47   0.565  10.324   1.075
  332    H    LYS  48           HN       LYS  48   0.845   9.812   4.505
  333    HA   LYS  48           HA       LYS  48   0.144   8.145   6.498
  334   1HB   LYS  48           HB1      LYS  48   2.124   9.757   6.157
  335   2HB   LYS  48           HB2      LYS  48   1.081  11.059   6.779
  336   1HG   LYS  48           HG1      LYS  48   0.922   9.804   8.994
  337   2HG   LYS  48           HG2      LYS  48   1.925   8.503   8.288
  338   1HD   LYS  48           HD1      LYS  48   3.333   9.906   9.689
  339   2HD   LYS  48           HD2      LYS  48   3.812  10.166   7.981
  340   1HE   LYS  48           HE1      LYS  48   2.525  12.340   7.940
  341   2HE   LYS  48           HE2      LYS  48   2.011  12.065   9.649
  342   1HZ   LYS  48           HZ1      LYS  48   4.791  12.341   8.674
  343   2HZ   LYS  48           HZ2      LYS  48   3.872  13.519   9.483
  344   3HZ   LYS  48           HZ3      LYS  48   4.310  12.085  10.282
  345    H    ILE  49           HN       ILE  49  -1.950  10.568   5.338
  346    HA   ILE  49           HA       ILE  49  -3.517  10.550   7.830
  347    HB   ILE  49           HB       ILE  49  -2.792  12.858   5.981
  348   1HG1  ILE  49          HG11      ILE  49  -2.704  12.589   9.047
  349   2HG1  ILE  49          HG12      ILE  49  -1.313  12.443   7.933
  350   1HG2  ILE  49          HG21      ILE  49  -4.521  14.314   7.091
  351   2HG2  ILE  49          HG22      ILE  49  -5.192  12.976   6.099
  352   3HG2  ILE  49          HG23      ILE  49  -5.196  12.836   7.899
  353   1HD1  ILE  49           HD1      ILE  49  -1.673  14.849   7.195
  354   2HD1  ILE  49           HD2      ILE  49  -2.959  15.000   8.453
  355   3HD1  ILE  49           HD3      ILE  49  -1.262  14.661   8.940
  356    H    ARG  50           HN       ARG  50  -3.464  10.916   4.354
  357    HA   ARG  50           HA       ARG  50  -6.307  10.661   4.087
  358   1HB   ARG  50           HB1      ARG  50  -3.997  10.893   2.125
  359   2HB   ARG  50           HB2      ARG  50  -5.681  10.725   1.543
  360   1HG   ARG  50           HG1      ARG  50  -4.846  13.023   3.420
  361   2HG   ARG  50           HG2      ARG  50  -4.636  13.069   1.653
  362   1HD   ARG  50           HD1      ARG  50  -6.719  14.184   1.979
  363   2HD   ARG  50           HD2      ARG  50  -7.155  12.540   1.395
  364    HE   ARG  50           HE       ARG  50  -7.784  11.922   3.648
  365   1HH1  ARG  50          HH21      ARG  50  -6.915  15.447   5.406
  366   2HH1  ARG  50          HH22      ARG  50  -6.585  15.275   3.714
  367   1HH2  ARG  50          HH11      ARG  50  -7.967  13.721   6.586
  368   2HH2  ARG  50          HH12      ARG  50  -8.426  12.257   5.781
  369    H    ARG  51           HN       ARG  51  -4.085   8.271   4.660
  370    HA   ARG  51           HA       ARG  51  -4.874   6.458   2.645
  371   1HB   ARG  51           HB1      ARG  51  -3.739   4.684   3.407
  372   2HB   ARG  51           HB2      ARG  51  -2.693   6.068   3.660
  373   1HG   ARG  51           HG1      ARG  51  -4.365   4.804   5.959
  374   2HG   ARG  51           HG2      ARG  51  -2.852   4.109   5.376
  375   1HD   ARG  51           HD1      ARG  51  -2.111   5.323   7.226
  376   2HD   ARG  51           HD2      ARG  51  -1.705   6.398   5.856
  377    HE   ARG  51           HE       ARG  51  -3.628   7.795   6.436
  378   1HH1  ARG  51          HH21      ARG  51  -4.947   5.529   9.496
  379   2HH1  ARG  51          HH22      ARG  51  -3.684   4.903   8.487
  380   1HH2  ARG  51          HH11      ARG  51  -5.726   7.702   9.206
  381   2HH2  ARG  51          HH12      ARG  51  -5.058   8.725   7.978
  382    H    LYS  52           HN       LYS  52  -6.641   7.307   5.473
  383    HA   LYS  52           HA       LYS  52  -7.981   4.855   5.832
  384   1HB   LYS  52           HB1      LYS  52  -7.168   6.515   7.565
  385   2HB   LYS  52           HB2      LYS  52  -8.388   7.679   6.991
  386   1HG   LYS  52           HG1      LYS  52 -10.198   6.102   7.746
  387   2HG   LYS  52           HG2      LYS  52  -8.948   4.895   8.204
  388   1HD   LYS  52           HD1      LYS  52  -8.041   6.479   9.917
  389   2HD   LYS  52           HD2      LYS  52  -9.221   7.728   9.410
  390   1HE   LYS  52           HE1      LYS  52 -11.128   6.210  10.120
  391   2HE   LYS  52           HE2      LYS  52  -9.923   4.981  10.671
  392   1HZ   LYS  52           HZ1      LYS  52  -9.057   6.588  12.197
  393   2HZ   LYS  52           HZ2      LYS  52 -10.174   7.755  11.669
  394   3HZ   LYS  52           HZ3      LYS  52 -10.722   6.346  12.443
  395    H    ASN  53           HN       ASN  53  -8.230   6.881   3.289
  396    HA   ASN  53           HA       ASN  53 -11.035   7.440   3.369
  397   1HB   ASN  53           HB1      ASN  53  -8.750   8.184   1.463
  398   2HB   ASN  53           HB2      ASN  53 -10.451   8.459   0.993
  399   1HD2  ASN  53          HD21      ASN  53  -8.950  10.680   4.215
  400   2HD2  ASN  53          HD22      ASN  53  -8.369   9.069   3.953
  401    H    CYS  54           HN       CYS  54  -8.911   4.932   1.959
  402    HA   CYS  54           HA       CYS  54 -11.243   3.709   0.800
  403   1HB   CYS  54           HB1      CYS  54 -10.278   3.685  -1.578
  404   2HB   CYS  54           HB2      CYS  54 -10.896   5.238  -1.004
  405    HA   PRO  55           HA       PRO  55  -6.242   2.450   1.116
  406   1HB   PRO  55           HB1      PRO  55  -7.649  -0.053   2.094
  407   2HB   PRO  55           HB2      PRO  55  -5.961   0.387   2.334
  408   1HG   PRO  55           HG1      PRO  55  -7.728   1.029   4.228
  409   2HG   PRO  55           HG2      PRO  55  -6.544   2.227   3.739
  410   1HD   PRO  55           HD1      PRO  55  -9.449   2.081   3.105
  411   2HD   PRO  55           HD2      PRO  55  -8.461   3.523   3.259
  412    H    ALA  56           HN       ALA  56  -7.510   2.783  -1.318
  413    HA   ALA  56           HA       ALA  56  -7.529   0.255  -2.739
  414   1HB   ALA  56           HB1      ALA  56  -9.089   1.373  -4.317
  415   2HB   ALA  56           HB2      ALA  56  -9.704   1.477  -2.625
  416   3HB   ALA  56           HB3      ALA  56  -8.944   2.909  -3.356
  417    H    CYS  57           HN       CYS  57  -6.655   3.749  -2.796
  418    HA   CYS  57           HA       CYS  57  -5.048   3.758  -5.004
  419   1HB   CYS  57           HB1      CYS  57  -5.051   5.409  -2.453
  420   2HB   CYS  57           HB2      CYS  57  -4.023   5.787  -3.842
  421    H    ARG  58           HN       ARG  58  -4.479   3.061  -1.669
  422    HA   ARG  58           HA       ARG  58  -1.743   2.810  -1.585
  423   1HB   ARG  58           HB1      ARG  58  -3.804   1.295   0.094
  424   2HB   ARG  58           HB2      ARG  58  -2.044   1.059   0.294
  425   1HG   ARG  58           HG1      ARG  58  -2.290   3.817   0.347
  426   2HG   ARG  58           HG2      ARG  58  -3.730   3.277   1.264
  427   1HD   ARG  58           HD1      ARG  58  -0.739   2.615   1.790
  428   2HD   ARG  58           HD2      ARG  58  -1.789   3.719   2.783
  429    HE   ARG  58           HE       ARG  58  -2.407   0.861   2.309
  430   1HH1  ARG  58          HH21      ARG  58  -0.711   1.897   5.822
  431   2HH1  ARG  58          HH22      ARG  58  -0.932   3.123   4.618
  432   1HH2  ARG  58          HH11      ARG  58  -1.543  -0.250   5.495
  433   2HH2  ARG  58          HH12      ARG  58  -2.396  -0.654   4.042
  434    H    TYR  59           HN       TYR  59  -4.235   0.457  -2.634
  435    HA   TYR  59           HA       TYR  59  -2.464  -1.752  -2.717
  436   1HB   TYR  59           HB1      TYR  59  -4.932  -1.975  -2.328
  437   2HB   TYR  59           HB2      TYR  59  -5.234  -1.405  -3.991
  438    HD1  TYR  59           HD1      TYR  59  -3.046  -4.041  -2.295
  439    HD2  TYR  59           HD2      TYR  59  -5.719  -3.090  -5.532
  440    HE1  TYR  59           HE1      TYR  59  -2.913  -6.390  -3.098
  441    HE2  TYR  59           HE2      TYR  59  -5.575  -5.418  -6.327
  442    HH   TYR  59           HH       TYR  59  -3.542  -7.858  -4.650
  443    H    ARG  60           HN       ARG  60  -3.724   0.633  -5.163
  444    HA   ARG  60           HA       ARG  60  -2.311  -0.618  -7.250
  445   1HB   ARG  60           HB1      ARG  60  -2.778   1.306  -8.680
  446   2HB   ARG  60           HB2      ARG  60  -4.221   0.578  -7.939
  447   1HG   ARG  60           HG1      ARG  60  -4.488   2.352  -6.362
  448   2HG   ARG  60           HG2      ARG  60  -2.884   3.067  -6.718
  449   1HD   ARG  60           HD1      ARG  60  -5.186   2.912  -8.778
  450   2HD   ARG  60           HD2      ARG  60  -4.856   4.351  -7.742
  451    HE   ARG  60           HE       ARG  60  -3.025   3.195  -9.830
  452   1HH1  ARG  60          HH21      ARG  60  -1.843   6.436  -7.746
  453   2HH1  ARG  60          HH22      ARG  60  -3.432   5.815  -7.445
  454   1HH2  ARG  60          HH11      ARG  60  -0.479   5.459  -9.383
  455   2HH2  ARG  60          HH12      ARG  60  -1.049   4.104 -10.301
  456    H    LYS  61           HN       LYS  61  -1.374   1.805  -4.909
  457    HA   LYS  61           HA       LYS  61   0.801   2.836  -6.301
  458   1HB   LYS  61           HB1      LYS  61  -0.279   3.098  -3.520
  459   2HB   LYS  61           HB2      LYS  61   1.479   3.244  -3.592
  460   1HG   LYS  61           HG1      LYS  61   1.083   5.395  -3.844
  461   2HG   LYS  61           HG2      LYS  61   1.057   4.961  -5.572
  462   1HD   LYS  61           HD1      LYS  61  -1.449   4.987  -5.549
  463   2HD   LYS  61           HD2      LYS  61  -1.450   5.163  -3.765
  464   1HE   LYS  61           HE1      LYS  61  -1.979   7.339  -4.782
  465   2HE   LYS  61           HE2      LYS  61  -0.393   7.425  -3.930
  466   1HZ   LYS  61           HZ1      LYS  61  -0.859   7.152  -6.838
  467   2HZ   LYS  61           HZ2      LYS  61  -0.255   8.497  -5.995
  468   3HZ   LYS  61           HZ3      LYS  61   0.662   7.072  -6.087
  469    H    CYS  62           HN       CYS  62   0.693   0.359  -3.823
  470    HA   CYS  62           HA       CYS  62   3.414  -0.130  -3.703
  471   1HB   CYS  62           HB1      CYS  62   2.844  -2.274  -2.526
  472   2HB   CYS  62           HB2      CYS  62   2.089  -0.817  -1.851
  473    HG1  CYS  62           HG1      CYS  62   0.711  -2.992  -3.925
  474    H    LEU  63           HN       LEU  63   0.923  -1.618  -5.743
  475    HA   LEU  63           HA       LEU  63   2.580  -3.474  -6.977
  476   1HB   LEU  63           HB1      LEU  63  -0.044  -2.150  -7.869
  477   2HB   LEU  63           HB2      LEU  63   0.719  -3.472  -8.805
  478    HG   LEU  63           HG       LEU  63  -0.110  -3.755  -5.858
  479   1HD1  LEU  63          HD11      LEU  63  -2.123  -4.964  -6.644
  480   2HD1  LEU  63          HD12      LEU  63  -2.129  -3.263  -7.229
  481   3HD1  LEU  63          HD13      LEU  63  -1.704  -4.599  -8.359
  482   1HD2  LEU  63          HD21      LEU  63   0.054  -6.197  -6.286
  483   2HD2  LEU  63          HD22      LEU  63   0.580  -5.886  -7.982
  484   3HD2  LEU  63          HD23      LEU  63   1.630  -5.392  -6.605
  485    H    GLN  64           HN       GLN  64   1.797  -0.062  -7.797
  486    HA   GLN  64           HA       GLN  64   3.046   0.001 -10.242
  487   1HB   GLN  64           HB1      GLN  64   1.361   1.634  -9.070
  488   2HB   GLN  64           HB2      GLN  64   2.787   2.465  -8.432
  489   1HG   GLN  64           HG1      GLN  64   2.197   1.895 -11.433
  490   2HG   GLN  64           HG2      GLN  64   1.662   3.374 -10.578
  491   1HE2  GLN  64          HE21      GLN  64   4.049   2.247 -12.633
  492   2HE2  GLN  64          HE22      GLN  64   5.322   3.361 -12.263
  493    H    ALA  65           HN       ALA  65   4.158   0.486  -6.993
  494    HA   ALA  65           HA       ALA  65   6.659   1.544  -7.423
  495   1HB   ALA  65           HB1      ALA  65   7.076   1.235  -5.101
  496   2HB   ALA  65           HB2      ALA  65   5.315   1.492  -5.221
  497   3HB   ALA  65           HB3      ALA  65   5.944  -0.171  -4.985
  498    H    GLY  66           HN       GLY  66   5.542  -1.764  -7.269
  499   1HA   GLY  66           HA1      GLY  66   6.553  -3.285  -8.764
  500   2HA   GLY  66           HA2      GLY  66   8.177  -2.725  -8.226
  501    H    MET  67           HN       MET  67   5.600  -3.095  -5.867
  502    HA   MET  67           HA       MET  67   7.066  -4.836  -4.282
  503   1HB   MET  67           HB1      MET  67   4.166  -3.963  -4.214
  504   2HB   MET  67           HB2      MET  67   4.765  -5.155  -3.043
  505   1HG   MET  67           HG1      MET  67   6.211  -2.469  -3.401
  506   2HG   MET  67           HG2      MET  67   4.770  -2.589  -2.389
  507   1HE   MET  67           HE1      MET  67   4.323  -4.015  -0.403
  508   2HE   MET  67           HE2      MET  67   5.578  -4.671   0.683
  509   3HE   MET  67           HE3      MET  67   5.075  -5.627  -0.770
  510    H    ASN  68           HN       ASN  68   6.857  -7.123  -3.804
  511    HA   ASN  68           HA       ASN  68   4.924  -8.691  -5.163
  512   1HB   ASN  68           HB1      ASN  68   6.893  -8.110  -6.985
  513   2HB   ASN  68           HB2      ASN  68   7.794  -9.354  -6.108
  514   1HD2  ASN  68          HD21      ASN  68   4.429 -10.356  -8.338
  515   2HD2  ASN  68          HD22      ASN  68   4.685  -8.737  -7.739
  516    H    LEU  69           HN       LEU  69   4.685 -10.418  -3.826
  517    HA   LEU  69           HA       LEU  69   6.639 -10.655  -1.693
  518   1HB   LEU  69           HB1      LEU  69   4.866 -11.988  -0.470
  519   2HB   LEU  69           HB2      LEU  69   4.685 -10.239  -0.700
  520    HG   LEU  69           HG       LEU  69   3.127 -10.649  -2.657
  521   1HD1  LEU  69          HD11      LEU  69   1.942 -12.838  -2.792
  522   2HD1  LEU  69          HD12      LEU  69   3.672 -12.996  -3.244
  523   3HD1  LEU  69          HD13      LEU  69   3.111 -13.556  -1.623
  524   1HD2  LEU  69          HD21      LEU  69   1.196 -10.968  -1.195
  525   2HD2  LEU  69          HD22      LEU  69   2.228 -11.711   0.084
  526   3HD2  LEU  69          HD23      LEU  69   2.447  -9.976  -0.352
  527    H    GLU  70           HN       GLU  70   7.318 -11.512  -4.207
  528    HA   GLU  70           HA       GLU  70   8.548 -13.925  -3.652
  529   1HB   GLU  70           HB1      GLU  70   6.713 -13.824  -6.137
  530   2HB   GLU  70           HB2      GLU  70   7.941 -15.094  -5.799
  531   1HG   GLU  70           HG1      GLU  70   6.570 -15.782  -3.741
  532   2HG   GLU  70           HG2      GLU  70   5.314 -14.592  -4.237
  533    H    ALA  71           HN       ALA  71   9.071 -11.259  -3.776
  534    HA   ALA  71           HA       ALA  71  10.174 -10.477  -6.326
  535   1HB   ALA  71           HB1      ALA  71  10.959  -8.431  -4.922
  536   2HB   ALA  71           HB2      ALA  71   9.198  -8.658  -4.978
  537   3HB   ALA  71           HB3      ALA  71  10.082  -9.186  -3.530
  538    H    ARG  72           HN       ARG  72  12.521  -9.980  -6.561
  539    HA   ARG  72           HA       ARG  72  14.308 -10.941  -4.512
  540   1HB   ARG  72           HB1      ARG  72  13.690 -12.947  -6.131
  541   2HB   ARG  72           HB2      ARG  72  14.695 -12.096  -7.327
  542   1HG   ARG  72           HG1      ARG  72  16.603 -12.136  -5.530
  543   2HG   ARG  72           HG2      ARG  72  15.513 -13.139  -4.537
  544   1HD   ARG  72           HD1      ARG  72  16.966 -14.722  -5.642
  545   2HD   ARG  72           HD2      ARG  72  15.398 -14.815  -6.526
  546    HE   ARG  72           HE       ARG  72  16.351 -13.486  -8.316
  547   1HH1  ARG  72          HH21      ARG  72  20.003 -12.973  -6.683
  548   2HH1  ARG  72          HH22      ARG  72  18.830 -13.881  -5.787
  549   1HH2  ARG  72          HH11      ARG  72  17.955 -12.500  -9.542
  550   2HH2  ARG  72          HH12      ARG  72  19.502 -12.184  -8.829
   
  No H/Q in entry =         550
  Start of MODEL   10
    1   1H    LEU   1           HT1      LEU   1  11.821   4.863   4.746
    2   2H    LEU   1           HT2      LEU   1  12.344   5.639   3.329
    3   3H    LEU   1           HT3      LEU   1  12.384   6.465   4.813
    4    HA   LEU   1           HA       LEU   1  10.026   6.351   4.964
    5   1HB   LEU   1           HB1      LEU   1  11.044   7.490   2.279
    6   2HB   LEU   1           HB2      LEU   1   9.463   7.907   3.003
    7    HG   LEU   1           HG       LEU   1  12.202   8.506   4.263
    8   1HD1  LEU   1          HD11      LEU   1  10.249  10.393   2.801
    9   2HD1  LEU   1          HD12      LEU   1  11.780  10.868   3.627
   10   3HD1  LEU   1          HD13      LEU   1  11.834   9.801   2.179
   11   1HD2  LEU   1          HD21      LEU   1   9.368   9.366   5.148
   12   2HD2  LEU   1          HD22      LEU   1  10.501   8.270   6.027
   13   3HD2  LEU   1          HD23      LEU   1  10.914  10.003   5.821
   14    H    CYS   2           HN       CYS   2   8.054   5.503   4.328
   15    HA   CYS   2           HA       CYS   2   7.773   3.271   2.735
   16   1HB   CYS   2           HB1      CYS   2   6.351   3.744   4.735
   17   2HB   CYS   2           HB2      CYS   2   5.696   5.224   3.890
   18    H    LEU   3           HN       LEU   3   7.193   3.150   0.510
   19    HA   LEU   3           HA       LEU   3   7.246   5.755  -0.730
   20   1HB   LEU   3           HB1      LEU   3   7.875   2.954  -1.663
   21   2HB   LEU   3           HB2      LEU   3   7.871   4.312  -2.846
   22    HG   LEU   3           HG       LEU   3   9.612   4.260  -0.331
   23   1HD1  LEU   3          HD11      LEU   3  11.560   3.732  -1.827
   24   2HD1  LEU   3          HD12      LEU   3  10.342   2.412  -1.813
   25   3HD1  LEU   3          HD13      LEU   3  10.433   3.535  -3.221
   26   1HD2  LEU   3          HD21      LEU   3  10.899   6.102  -1.447
   27   2HD2  LEU   3          HD22      LEU   3   9.725   6.091  -2.813
   28   3HD2  LEU   3          HD23      LEU   3   9.189   6.563  -1.160
   29    H    VAL   4           HN       VAL   4   5.019   4.319   0.436
   30    HA   VAL   4           HA       VAL   4   3.147   4.214  -1.833
   31    HB   VAL   4           HB       VAL   4   2.769   2.776   0.826
   32   1HG1  VAL   4          HG21      VAL   4   1.326   2.430  -1.830
   33   2HG1  VAL   4          HG22      VAL   4   1.022   1.516  -0.294
   34   3HG1  VAL   4          HG23      VAL   4   0.712   3.290  -0.365
   35   1HG2  VAL   4          HG11      VAL   4   4.021   1.605  -1.683
   36   2HG2  VAL   4          HG12      VAL   4   4.781   1.878  -0.076
   37   3HG2  VAL   4          HG13      VAL   4   3.455   0.677  -0.228
   38    H    CYS   5           HN       CYS   5   3.130   4.629   1.705
   39    HA   CYS   5           HA       CYS   5   1.102   6.750   1.293
   40   1HB   CYS   5           HB1      CYS   5   0.092   6.355   3.364
   41   2HB   CYS   5           HB2      CYS   5   0.171   4.846   2.472
   42    H    SER   6           HN       SER   6   4.129   6.655   1.260
   43    HA   SER   6           HA       SER   6   5.865   7.896   1.997
   44   1HB   SER   6           HB1      SER   6   4.013  10.185   1.567
   45   2HB   SER   6           HB2      SER   6   5.775  10.090   1.151
   46    HG   SER   6           HG1      SER   6   5.107   8.493  -0.375
   47    H    ASP   7           HN       ASP   7   5.423   6.913   4.164
   48    HA   ASP   7           HA       ASP   7   5.435   9.005   6.267
   49   1HB   ASP   7           HB1      ASP   7   3.331   7.550   6.086
   50   2HB   ASP   7           HB2      ASP   7   4.280   6.125   6.243
   51    H    GLU   8           HN       GLU   8   6.697   7.861   8.267
   52    HA   GLU   8           HA       GLU   8   9.220   7.179   7.371
   53   1HB   GLU   8           HB1      GLU   8   8.512   6.550  10.218
   54   2HB   GLU   8           HB2      GLU   8   9.997   7.260   9.542
   55   1HG   GLU   8           HG1      GLU   8   7.225   8.656   9.857
   56   2HG   GLU   8           HG2      GLU   8   8.611   8.827  10.971
   57    H    ALA   9           HN       ALA   9   9.936   5.257   6.498
   58    HA   ALA   9           HA       ALA   9   8.329   2.927   6.872
   59   1HB   ALA   9           HB1      ALA   9  10.273   1.820   5.415
   60   2HB   ALA   9           HB2      ALA   9   9.054   2.865   4.660
   61   3HB   ALA   9           HB3      ALA   9  10.698   3.519   5.093
   62    H    SER  10           HN       SER  10   8.662   1.225   8.044
   63    HA   SER  10           HA       SER  10  11.196   0.576   9.257
   64   1HB   SER  10           HB1      SER  10   8.596   1.037  10.886
   65   2HB   SER  10           HB2      SER  10  10.062   0.193  11.515
   66    HG   SER  10           HG1      SER  10   9.913   2.394  12.075
   67    H    GLY  11           HN       GLY  11  10.488  -0.547   7.104
   68   1HA   GLY  11           HA1      GLY  11   9.497  -3.128   7.778
   69   2HA   GLY  11           HA2      GLY  11   8.407  -2.140   6.711
   70    H    CYS  12           HN       CYS  12   8.697  -3.113   4.775
   71    HA   CYS  12           HA       CYS  12   9.503  -3.239   2.799
   72   1HB   CYS  12           HB1      CYS  12  11.530  -2.775   1.890
   73   2HB   CYS  12           HB2      CYS  12  11.453  -1.684   3.296
   74    HG1  CYS  12           HG1      CYS  12  13.120  -4.541   2.971
   75    H    HIS  13           HN       HIS  13   9.266  -5.317   1.842
   76    HA   HIS  13           HA       HIS  13  10.864  -7.438   2.963
   77   1HB   HIS  13           HB1      HIS  13   9.054  -7.082   4.842
   78   2HB   HIS  13           HB2      HIS  13   7.880  -7.722   3.669
   79    HD2  HIS  13           HD2      HIS  13   7.483 -10.388   4.196
   80    HE1  HIS  13           HE1      HIS  13  11.355 -11.264   5.648
   81    HE2  HIS  13           HE2      HIS  13   9.024 -12.192   5.164
   82    H    TYR  14           HN       TYR  14   8.796  -6.190   0.611
   83    HA   TYR  14           HA       TYR  14   8.658  -8.767  -0.771
   84   1HB   TYR  14           HB1      TYR  14   6.594  -6.491  -0.762
   85   2HB   TYR  14           HB2      TYR  14   6.443  -7.873  -1.766
   86    HD1  TYR  14           HD1      TYR  14   7.228 -10.245  -0.115
   87    HD2  TYR  14           HD2      TYR  14   4.762  -6.899   0.844
   88    HE1  TYR  14           HE1      TYR  14   6.396 -11.458   1.807
   89    HE2  TYR  14           HE2      TYR  14   3.922  -8.116   2.811
   90    HH   TYR  14           HH       TYR  14   3.963  -9.999   4.016
   91    H    GLY  15           HN       GLY  15   7.920  -5.936  -2.564
   92   1HA   GLY  15           HA1      GLY  15  10.670  -6.101  -3.625
   93   2HA   GLY  15           HA2      GLY  15   9.188  -5.488  -4.397
   94    H    VAL  16           HN       VAL  16   8.982  -3.873  -1.490
   95    HA   VAL  16           HA       VAL  16  10.751  -1.697  -2.478
   96    HB   VAL  16           HB       VAL  16   7.802  -1.402  -1.815
   97   1HG1  VAL  16          HG21      VAL  16   9.600   0.654  -3.171
   98   2HG1  VAL  16          HG22      VAL  16   7.803   0.723  -2.999
   99   3HG1  VAL  16          HG23      VAL  16   8.814   0.773  -1.532
  100   1HG2  VAL  16          HG11      VAL  16   9.050  -1.424  -4.642
  101   2HG2  VAL  16          HG12      VAL  16   8.020  -2.709  -3.921
  102   3HG2  VAL  16          HG13      VAL  16   7.319  -1.099  -4.244
  103    H    LEU  17           HN       LEU  17  11.040  -0.045  -1.124
  104    HA   LEU  17           HA       LEU  17  11.248  -0.508   1.647
  105   1HB   LEU  17           HB1      LEU  17  12.894   0.914   0.432
  106   2HB   LEU  17           HB2      LEU  17  11.614   2.101   0.085
  107    HG   LEU  17           HG       LEU  17  11.348   2.513   2.565
  108   1HD1  LEU  17          HD11      LEU  17  13.095   1.753   4.165
  109   2HD1  LEU  17          HD12      LEU  17  12.129   0.387   3.519
  110   3HD1  LEU  17          HD13      LEU  17  13.799   0.681   2.897
  111   1HD2  LEU  17          HD21      LEU  17  13.416   3.849   2.848
  112   2HD2  LEU  17          HD22      LEU  17  14.201   2.960   1.491
  113   3HD2  LEU  17          HD23      LEU  17  12.763   4.003   1.178
  114    H    THR  18           HN       THR  18   9.251  -0.834   2.635
  115    HA   THR  18           HA       THR  18   7.223   1.296   2.312
  116    HB   THR  18           HB       THR  18   5.609  -0.746   3.007
  117    HG1  THR  18           HG1      THR  18   6.391  -2.765   2.568
  118   1HG2  THR  18          HG21      THR  18   5.341  -1.668   0.809
  119   2HG2  THR  18          HG22      THR  18   5.640   0.119   0.755
  120   3HG2  THR  18          HG23      THR  18   6.965  -1.056   0.292
  121    H    CYS  19           HN       CYS  19   5.614   1.036   4.125
  122    HA   CYS  19           HA       CYS  19   7.168   1.407   6.531
  123   1HB   CYS  19           HB1      CYS  19   5.348   2.181   7.797
  124   2HB   CYS  19           HB2      CYS  19   5.599   3.115   6.396
  125    H    GLY  20           HN       GLY  20   5.546   0.466   8.585
  126   1HA   GLY  20           HA1      GLY  20   6.077  -2.339   8.568
  127   2HA   GLY  20           HA2      GLY  20   5.234  -1.354   9.822
  128    H    SER  21           HN       SER  21   3.152  -0.300   8.465
  129    HA   SER  21           HA       SER  21   1.298  -2.394   8.388
  130   1HB   SER  21           HB1      SER  21   0.942   0.550   7.538
  131   2HB   SER  21           HB2      SER  21  -0.391  -0.608   7.888
  132    HG   SER  21           HG1      SER  21   0.458  -0.799   9.984
  133    H    CYS  22           HN       CYS  22   2.777  -0.525   5.645
  134    HA   CYS  22           HA       CYS  22   0.969  -1.398   3.735
  135   1HB   CYS  22           HB1      CYS  22   3.673  -0.115   3.442
  136   2HB   CYS  22           HB2      CYS  22   2.758  -0.673   2.008
  137    H    LYS  23           HN       LYS  23   3.657  -2.951   5.103
  138    HA   LYS  23           HA       LYS  23   4.214  -4.819   3.159
  139   1HB   LYS  23           HB1      LYS  23   5.661  -4.257   5.164
  140   2HB   LYS  23           HB2      LYS  23   4.492  -5.103   6.196
  141   1HG   LYS  23           HG1      LYS  23   4.999  -7.203   4.596
  142   2HG   LYS  23           HG2      LYS  23   6.400  -6.235   4.074
  143   1HD   LYS  23           HD1      LYS  23   7.108  -7.782   5.834
  144   2HD   LYS  23           HD2      LYS  23   7.166  -6.125   6.501
  145   1HE   LYS  23           HE1      LYS  23   6.244  -7.733   8.164
  146   2HE   LYS  23           HE2      LYS  23   4.950  -6.573   7.696
  147   1HZ   LYS  23           HZ1      LYS  23   4.170  -8.809   7.769
  148   2HZ   LYS  23           HZ2      LYS  23   4.112  -8.225   6.175
  149   3HZ   LYS  23           HZ3      LYS  23   5.333  -9.311   6.636
  150    H    VAL  24           HN       VAL  24   2.406  -5.130   6.139
  151    HA   VAL  24           HA       VAL  24   1.244  -7.589   5.769
  152    HB   VAL  24           HB       VAL  24   0.179  -5.260   7.499
  153   1HG1  VAL  24          HG21      VAL  24  -0.021  -8.286   8.063
  154   2HG1  VAL  24          HG22      VAL  24  -0.597  -6.938   9.125
  155   3HG1  VAL  24          HG23      VAL  24  -1.369  -7.214   7.526
  156   1HG2  VAL  24          HG11      VAL  24   2.453  -7.182   8.259
  157   2HG2  VAL  24          HG12      VAL  24   2.565  -5.405   7.955
  158   3HG2  VAL  24          HG13      VAL  24   1.641  -6.004   9.359
  159    H    PHE  25           HN       PHE  25   0.109  -4.439   5.005
  160    HA   PHE  25           HA       PHE  25  -2.548  -4.751   4.426
  161   1HB   PHE  25           HB1      PHE  25  -1.409  -2.568   4.670
  162   2HB   PHE  25           HB2      PHE  25  -0.300  -2.958   3.352
  163    HD1  PHE  25           HD2      PHE  25  -4.125  -2.772   3.741
  164    HD2  PHE  25           HD1      PHE  25  -0.589  -1.879   1.448
  165    HE1  PHE  25           HE2      PHE  25  -5.523  -1.895   1.893
  166    HE2  PHE  25           HE1      PHE  25  -1.955  -1.055  -0.368
  167    HZ   PHE  25           HZ       PHE  25  -4.442  -1.085  -0.203
  168    H    PHE  26           HN       PHE  26   0.259  -4.729   2.351
  169    HA   PHE  26           HA       PHE  26  -0.882  -5.393  -0.060
  170   1HB   PHE  26           HB1      PHE  26   1.288  -4.255   0.098
  171   2HB   PHE  26           HB2      PHE  26   2.019  -5.684   0.881
  172    HD1  PHE  26           HD2      PHE  26   0.270  -4.679  -2.346
  173    HD2  PHE  26           HD1      PHE  26   3.055  -7.304  -0.421
  174    HE1  PHE  26           HE2      PHE  26   1.035  -5.472  -4.544
  175    HE2  PHE  26           HE1      PHE  26   3.841  -8.085  -2.605
  176    HZ   PHE  26           HZ       PHE  26   2.810  -7.262  -4.683
  177    H    LYS  27           HN       LYS  27   0.677  -7.445   2.316
  178    HA   LYS  27           HA       LYS  27   0.567  -9.847   0.953
  179   1HB   LYS  27           HB1      LYS  27   2.226  -9.496   2.592
  180   2HB   LYS  27           HB2      LYS  27   1.030  -9.053   3.859
  181   1HG   LYS  27           HG1      LYS  27   1.996 -11.232   4.355
  182   2HG   LYS  27           HG2      LYS  27   0.278 -11.441   3.946
  183   1HD   LYS  27           HD1      LYS  27   1.616 -11.744   1.451
  184   2HD   LYS  27           HD2      LYS  27   2.734 -12.516   2.603
  185   1HE   LYS  27           HE1      LYS  27  -0.293 -13.128   2.384
  186   2HE   LYS  27           HE2      LYS  27   0.997 -14.089   1.558
  187   1HZ   LYS  27           HZ1      LYS  27   1.922 -14.590   3.704
  188   2HZ   LYS  27           HZ2      LYS  27   0.702 -13.697   4.478
  189   3HZ   LYS  27           HZ3      LYS  27   0.302 -15.093   3.594
  190    H    ARG  28           HN       ARG  28  -1.900  -8.159   2.817
  191    HA   ARG  28           HA       ARG  28  -3.673 -10.454   2.822
  192   1HB   ARG  28           HB1      ARG  28  -3.571  -7.818   4.197
  193   2HB   ARG  28           HB2      ARG  28  -5.196  -8.164   3.567
  194   1HG   ARG  28           HG1      ARG  28  -5.130  -8.977   5.799
  195   2HG   ARG  28           HG2      ARG  28  -5.217 -10.379   4.686
  196   1HD   ARG  28           HD1      ARG  28  -2.750 -10.807   4.998
  197   2HD   ARG  28           HD2      ARG  28  -2.614  -9.371   6.082
  198    HE   ARG  28           HE       ARG  28  -4.150 -11.903   6.618
  199   1HH1  ARG  28          HH21      ARG  28  -4.243  -8.943   9.349
  200   2HH1  ARG  28          HH22      ARG  28  -3.356  -8.670   7.885
  201   1HH2  ARG  28          HH11      ARG  28  -5.234 -11.024   9.764
  202   2HH2  ARG  28          HH12      ARG  28  -5.090 -12.308   8.610
  203    H    ALA  29           HN       ALA  29  -3.169  -7.430   1.190
  204    HA   ALA  29           HA       ALA  29  -5.495  -7.313  -0.333
  205   1HB   ALA  29           HB1      ALA  29  -4.266  -5.546  -1.653
  206   2HB   ALA  29           HB2      ALA  29  -4.034  -5.328   0.111
  207   3HB   ALA  29           HB3      ALA  29  -2.728  -6.080  -0.865
  208    H    VAL  30           HN       VAL  30  -2.738  -9.293  -0.726
  209    HA   VAL  30           HA       VAL  30  -3.230  -9.772  -3.575
  210    HB   VAL  30           HB       VAL  30  -0.785 -10.343  -1.844
  211   1HG1  VAL  30          HG21      VAL  30  -1.197 -10.759  -4.872
  212   2HG1  VAL  30          HG22      VAL  30   0.345 -11.027  -3.960
  213   3HG1  VAL  30          HG23      VAL  30  -1.106 -12.062  -3.629
  214   1HG2  VAL  30          HG11      VAL  30  -0.755  -8.408  -4.213
  215   2HG2  VAL  30          HG12      VAL  30  -1.199  -7.849  -2.574
  216   3HG2  VAL  30          HG13      VAL  30   0.402  -8.598  -2.839
  217    H    GLU  31           HN       GLU  31  -1.879 -11.654  -0.919
  218    HA   GLU  31           HA       GLU  31  -3.498 -13.975  -1.701
  219   1HB   GLU  31           HB1      GLU  31  -0.995 -13.864   0.056
  220   2HB   GLU  31           HB2      GLU  31  -1.924 -15.343  -0.377
  221   1HG   GLU  31           HG1      GLU  31  -1.453 -14.815  -2.854
  222   2HG   GLU  31           HG2      GLU  31  -0.345 -13.516  -2.305
  223    H    GLY  32           HN       GLY  32  -5.120 -12.350  -0.648
  224   1HA   GLY  32           HA1      GLY  32  -5.978 -13.731   1.732
  225   2HA   GLY  32           HA2      GLY  32  -5.497 -12.005   2.015
  226    H    GLN  33           HN       GLN  33  -7.531 -11.154   2.431
  227    HA   GLN  33           HA       GLN  33  -9.495 -11.304   0.249
  228   1HB   GLN  33           HB1      GLN  33 -11.216 -11.557   1.660
  229   2HB   GLN  33           HB2      GLN  33  -9.977 -12.248   2.708
  230   1HG   GLN  33           HG1      GLN  33 -11.213 -10.888   4.174
  231   2HG   GLN  33           HG2      GLN  33  -9.758  -9.901   3.847
  232   1HE2  GLN  33          HE21      GLN  33 -12.968 -10.492   2.167
  233   2HE2  GLN  33          HE22      GLN  33 -13.364  -8.820   1.941
  234    H    HIS  34           HN       HIS  34 -10.296  -9.319  -0.510
  235    HA   HIS  34           HA       HIS  34  -8.936  -6.915   0.488
  236   1HB   HIS  34           HB1      HIS  34  -9.199  -6.690  -2.398
  237   2HB   HIS  34           HB2      HIS  34  -7.750  -6.620  -1.374
  238    HD2  HIS  34           HD2      HIS  34  -6.825  -9.414  -0.636
  239    HE1  HIS  34           HE1      HIS  34  -7.879 -10.698  -4.533
  240    HE2  HIS  34           HE2      HIS  34  -6.520 -11.246  -2.438
  241    H    ASN  35           HN       ASN  35 -10.301  -5.112   0.531
  242    HA   ASN  35           HA       ASN  35 -12.670  -5.016  -1.088
  243   1HB   ASN  35           HB1      ASN  35 -12.858  -5.145   1.993
  244   2HB   ASN  35           HB2      ASN  35 -14.064  -4.221   1.039
  245   1HD2  ASN  35          HD21      ASN  35 -15.389  -7.265  -0.627
  246   2HD2  ASN  35          HD22      ASN  35 -14.657  -5.785  -1.150
  247    H    TYR  36           HN       TYR  36 -11.108  -3.477  -1.999
  248    HA   TYR  36           HA       TYR  36 -11.464  -0.899  -0.748
  249   1HB   TYR  36           HB1      TYR  36  -8.860  -1.150  -2.140
  250   2HB   TYR  36           HB2      TYR  36  -9.260  -0.316  -0.599
  251    HD1  TYR  36           HD2      TYR  36  -9.426  -1.883   1.519
  252    HD2  TYR  36           HD1      TYR  36  -7.578  -3.059  -2.185
  253    HE1  TYR  36           HE2      TYR  36  -8.177  -3.642   2.702
  254    HE2  TYR  36           HE1      TYR  36  -6.316  -4.796  -1.004
  255    HH   TYR  36           HH       TYR  36  -5.894  -5.817   0.965
  256    H    LEU  37           HN       LEU  37 -12.488   0.302  -2.244
  257    HA   LEU  37           HA       LEU  37 -12.356  -0.515  -5.079
  258   1HB   LEU  37           HB1      LEU  37 -14.620   0.131  -3.211
  259   2HB   LEU  37           HB2      LEU  37 -14.744   0.966  -4.771
  260    HG   LEU  37           HG       LEU  37 -16.025  -1.089  -4.724
  261   1HD1  LEU  37          HD11      LEU  37 -15.342  -1.986  -6.921
  262   2HD1  LEU  37          HD12      LEU  37 -15.186  -0.195  -6.879
  263   3HD1  LEU  37          HD13      LEU  37 -13.714  -1.228  -6.764
  264   1HD2  LEU  37          HD21      LEU  37 -15.051  -3.338  -4.721
  265   2HD2  LEU  37          HD22      LEU  37 -13.388  -2.676  -4.543
  266   3HD2  LEU  37          HD23      LEU  37 -14.589  -2.474  -3.210
  267    H    CYS  38           HN       CYS  38 -11.216   0.880  -6.233
  268    HA   CYS  38           HA       CYS  38 -11.983   3.495  -6.476
  269   1HB   CYS  38           HB1      CYS  38 -10.380   3.435  -4.294
  270   2HB   CYS  38           HB2      CYS  38  -9.054   3.330  -5.462
  271    H    ALA  39           HN       ALA  39 -11.948   1.293  -7.794
  272    HA   ALA  39           HA       ALA  39  -9.745   1.100  -9.636
  273   1HB   ALA  39           HB1      ALA  39 -10.940  -0.933 -10.493
  274   2HB   ALA  39           HB2      ALA  39 -10.774  -0.997  -8.706
  275   3HB   ALA  39           HB3      ALA  39 -12.346  -0.531  -9.429
  276    H    GLY  40           HN       GLY  40 -12.755   2.649  -9.359
  277   1HA   GLY  40           HA1      GLY  40 -12.978   3.118 -12.275
  278   2HA   GLY  40           HA2      GLY  40 -14.341   2.987 -11.100
  279    H    ARG  41           HN       ARG  41 -11.753   4.540  -9.525
  280    HA   ARG  41           HA       ARG  41 -12.604   7.206 -10.370
  281   1HB   ARG  41           HB1      ARG  41 -11.956   6.226  -7.541
  282   2HB   ARG  41           HB2      ARG  41 -12.225   7.934  -8.026
  283   1HG   ARG  41           HG1      ARG  41 -14.293   5.636  -8.257
  284   2HG   ARG  41           HG2      ARG  41 -14.143   6.676  -6.826
  285   1HD   ARG  41           HD1      ARG  41 -14.706   7.871  -9.631
  286   2HD   ARG  41           HD2      ARG  41 -16.011   7.257  -8.533
  287    HE   ARG  41           HE       ARG  41 -14.017   9.311  -7.611
  288   1HH1  ARG  41          HH21      ARG  41 -17.722  10.476  -8.671
  289   2HH1  ARG  41          HH22      ARG  41 -17.296   8.811  -8.897
  290   1HH2  ARG  41          HH11      ARG  41 -16.242  11.947  -7.623
  291   2HH2  ARG  41          HH12      ARG  41 -14.700  11.393  -7.060
  292    H    ASN  42           HN       ASN  42 -10.288   6.155  -8.037
  293    HA   ASN  42           HA       ASN  42  -8.171   6.203  -7.746
  294   1HB   ASN  42           HB1      ASN  42  -7.998   4.553  -9.631
  295   2HB   ASN  42           HB2      ASN  42  -7.759   5.888 -10.776
  296   1HD2  ASN  42          HD21      ASN  42  -4.719   4.648  -8.221
  297   2HD2  ASN  42          HD22      ASN  42  -6.387   4.211  -7.978
  298    H    ASP  43           HN       ASP  43  -9.079   8.306  -7.118
  299    HA   ASP  43           HA       ASP  43  -8.045  10.586  -8.671
  300   1HB   ASP  43           HB1      ASP  43  -9.628  11.845  -6.831
  301   2HB   ASP  43           HB2      ASP  43 -10.141  11.300  -8.466
  302    H    CYS  44           HN       CYS  44  -8.560   9.439  -5.230
  303    HA   CYS  44           HA       CYS  44  -7.323  11.455  -4.148
  304   1HB   CYS  44           HB1      CYS  44  -7.025   9.269  -2.253
  305   2HB   CYS  44           HB2      CYS  44  -8.293  10.492  -2.368
  306    H    ILE  45           HN       ILE  45  -5.295  11.735  -2.999
  307    HA   ILE  45           HA       ILE  45  -3.007  10.229  -4.059
  308    HB   ILE  45           HB       ILE  45  -3.176  12.797  -2.365
  309   1HG1  ILE  45          HG11      ILE  45  -3.916  13.265  -4.625
  310   2HG1  ILE  45          HG12      ILE  45  -2.342  14.037  -4.299
  311   1HG2  ILE  45          HG21      ILE  45  -0.711  13.074  -2.716
  312   2HG2  ILE  45          HG22      ILE  45  -1.086  11.621  -1.736
  313   3HG2  ILE  45          HG23      ILE  45  -0.634  11.439  -3.469
  314   1HD1  ILE  45           HD1      ILE  45  -2.409  13.098  -6.599
  315   2HD1  ILE  45           HD2      ILE  45  -1.173  12.226  -5.624
  316   3HD1  ILE  45           HD3      ILE  45  -2.769  11.456  -5.961
  317    H    ILE  46           HN       ILE  46  -1.987   8.796  -2.680
  318    HA   ILE  46           HA       ILE  46  -3.138   8.532   0.012
  319    HB   ILE  46           HB       ILE  46  -2.549   6.660  -2.124
  320   1HG1  ILE  46          HG11      ILE  46  -3.995   5.171  -0.951
  321   2HG1  ILE  46          HG12      ILE  46  -3.794   6.029   0.611
  322   1HG2  ILE  46          HG21      ILE  46  -1.568   4.806  -0.983
  323   2HG2  ILE  46          HG22      ILE  46  -0.386   6.141  -1.033
  324   3HG2  ILE  46          HG23      ILE  46  -1.227   5.762   0.519
  325   1HD1  ILE  46           HD1      ILE  46  -5.969   6.338  -0.755
  326   2HD1  ILE  46           HD2      ILE  46  -5.195   7.833  -0.088
  327   3HD1  ILE  46           HD3      ILE  46  -5.012   7.399  -1.848
  328    H    ASP  47           HN       ASP  47  -2.068   9.167   1.609
  329    HA   ASP  47           HA       ASP  47   0.726   8.837   1.706
  330   1HB   ASP  47           HB1      ASP  47   1.473  11.007   2.296
  331   2HB   ASP  47           HB2      ASP  47   0.883  10.939   0.634
  332    H    LYS  48           HN       LYS  48   1.100  10.098   4.132
  333    HA   LYS  48           HA       LYS  48   0.028   8.198   5.803
  334   1HB   LYS  48           HB1      LYS  48   1.557   8.987   7.411
  335   2HB   LYS  48           HB2      LYS  48   2.281   9.214   5.778
  336   1HG   LYS  48           HG1      LYS  48   1.512  11.643   5.862
  337   2HG   LYS  48           HG2      LYS  48   1.151  11.361   7.610
  338   1HD   LYS  48           HD1      LYS  48   3.622  10.661   7.873
  339   2HD   LYS  48           HD2      LYS  48   3.880  11.237   6.192
  340   1HE   LYS  48           HE1      LYS  48   3.035  13.552   6.909
  341   2HE   LYS  48           HE2      LYS  48   2.865  12.926   8.596
  342   1HZ   LYS  48           HZ1      LYS  48   5.342  13.164   7.001
  343   2HZ   LYS  48           HZ2      LYS  48   4.879  14.052   8.374
  344   3HZ   LYS  48           HZ3      LYS  48   5.235  12.396   8.515
  345    H    ILE  49           HN       ILE  49  -1.698  10.610   4.766
  346    HA   ILE  49           HA       ILE  49  -3.256  11.051   7.220
  347    HB   ILE  49           HB       ILE  49  -2.581  12.871   4.871
  348   1HG1  ILE  49          HG11      ILE  49  -0.928  12.976   6.636
  349   2HG1  ILE  49          HG12      ILE  49  -1.822  14.511   6.508
  350   1HG2  ILE  49          HG21      ILE  49  -4.157  14.617   5.748
  351   2HG2  ILE  49          HG22      ILE  49  -4.957  13.144   5.084
  352   3HG2  ILE  49          HG23      ILE  49  -4.853  13.376   6.870
  353   1HD1  ILE  49           HD1      ILE  49  -3.203  13.872   8.539
  354   2HD1  ILE  49           HD2      ILE  49  -2.246  12.350   8.686
  355   3HD1  ILE  49           HD3      ILE  49  -1.437  13.942   8.885
  356    H    ARG  50           HN       ARG  50  -3.276  10.808   3.721
  357    HA   ARG  50           HA       ARG  50  -6.105  10.459   3.530
  358   1HB   ARG  50           HB1      ARG  50  -3.884  10.347   1.444
  359   2HB   ARG  50           HB2      ARG  50  -5.621  10.102   1.043
  360   1HG   ARG  50           HG1      ARG  50  -5.442  12.310   0.536
  361   2HG   ARG  50           HG2      ARG  50  -6.029  12.415   2.221
  362   1HD   ARG  50           HD1      ARG  50  -3.545  12.734   2.936
  363   2HD   ARG  50           HD2      ARG  50  -3.146  12.818   1.169
  364    HE   ARG  50           HE       ARG  50  -4.864  14.701   1.094
  365   1HH1  ARG  50          HH21      ARG  50  -1.915  15.933   3.545
  366   2HH1  ARG  50          HH22      ARG  50  -2.316  14.246   3.540
  367   1HH2  ARG  50          HH11      ARG  50  -3.161  17.450   2.276
  368   2HH2  ARG  50          HH12      ARG  50  -4.498  16.904   1.317
  369    H    ARG  51           HN       ARG  51  -3.884   8.297   4.501
  370    HA   ARG  51           HA       ARG  51  -4.601   6.002   3.048
  371   1HB   ARG  51           HB1      ARG  51  -3.361   4.657   4.430
  372   2HB   ARG  51           HB2      ARG  51  -2.481   6.204   4.388
  373   1HG   ARG  51           HG1      ARG  51  -4.193   5.065   6.690
  374   2HG   ARG  51           HG2      ARG  51  -2.415   5.163   6.610
  375   1HD   ARG  51           HD1      ARG  51  -2.478   7.640   6.712
  376   2HD   ARG  51           HD2      ARG  51  -4.290   7.633   6.694
  377    HE   ARG  51           HE       ARG  51  -2.707   6.225   8.823
  378   1HH1  ARG  51          HH21      ARG  51  -4.431   9.767   9.645
  379   2HH1  ARG  51          HH22      ARG  51  -4.575   9.150   8.031
  380   1HH2  ARG  51          HH11      ARG  51  -3.394   8.501  11.311
  381   2HH2  ARG  51          HH12      ARG  51  -2.758   6.930  10.953
  382    H    LYS  52           HN       LYS  52  -6.153   7.679   5.670
  383    HA   LYS  52           HA       LYS  52  -7.847   5.624   6.556
  384   1HB   LYS  52           HB1      LYS  52  -6.821   7.373   8.042
  385   2HB   LYS  52           HB2      LYS  52  -7.564   8.646   7.060
  386   1HG   LYS  52           HG1      LYS  52  -8.731   8.388   9.191
  387   2HG   LYS  52           HG2      LYS  52  -9.809   8.045   7.816
  388   1HD   LYS  52           HD1      LYS  52 -10.304   6.492   9.591
  389   2HD   LYS  52           HD2      LYS  52  -9.590   5.562   8.252
  390   1HE   LYS  52           HE1      LYS  52  -7.969   6.504  10.733
  391   2HE   LYS  52           HE2      LYS  52  -8.834   4.925  10.645
  392   1HZ   LYS  52           HZ1      LYS  52  -7.523   4.348   8.749
  393   2HZ   LYS  52           HZ2      LYS  52  -6.686   5.826   8.826
  394   3HZ   LYS  52           HZ3      LYS  52  -6.552   4.706  10.099
  395    H    ASN  53           HN       ASN  53  -7.768   8.009   4.080
  396    HA   ASN  53           HA       ASN  53 -10.588   8.355   3.802
  397   1HB   ASN  53           HB1      ASN  53  -8.317   9.272   1.903
  398   2HB   ASN  53           HB2      ASN  53 -10.029   9.693   1.724
  399   1HD2  ASN  53          HD21      ASN  53  -8.606  12.668   3.283
  400   2HD2  ASN  53          HD22      ASN  53  -8.650  11.840   1.763
  401    H    CYS  54           HN       CYS  54  -7.953   6.418   2.383
  402    HA   CYS  54           HA       CYS  54  -9.842   4.740   1.020
  403   1HB   CYS  54           HB1      CYS  54  -9.774   6.548  -0.572
  404   2HB   CYS  54           HB2      CYS  54  -8.012   6.697  -0.458
  405    HA   PRO  55           HA       PRO  55  -5.940   2.399   1.534
  406   1HB   PRO  55           HB1      PRO  55  -6.936   0.126   2.563
  407   2HB   PRO  55           HB2      PRO  55  -7.065   1.603   3.485
  408   1HG   PRO  55           HG1      PRO  55  -9.214   0.353   1.755
  409   2HG   PRO  55           HG2      PRO  55  -9.358   0.924   3.410
  410   1HD   PRO  55           HD1      PRO  55  -9.980   2.444   1.126
  411   2HD   PRO  55           HD2      PRO  55  -9.586   3.143   2.701
  412    H    ALA  56           HN       ALA  56  -7.490   2.794  -1.129
  413    HA   ALA  56           HA       ALA  56  -7.361   0.111  -2.248
  414   1HB   ALA  56           HB1      ALA  56  -9.036   0.789  -3.866
  415   2HB   ALA  56           HB2      ALA  56  -9.642   1.282  -2.240
  416   3HB   ALA  56           HB3      ALA  56  -8.913   2.501  -3.317
  417    H    CYS  57           HN       CYS  57  -6.737   3.643  -2.824
  418    HA   CYS  57           HA       CYS  57  -5.180   3.439  -5.051
  419   1HB   CYS  57           HB1      CYS  57  -5.306   5.405  -2.749
  420   2HB   CYS  57           HB2      CYS  57  -4.165   5.662  -4.065
  421    H    ARG  58           HN       ARG  58  -4.402   3.062  -1.694
  422    HA   ARG  58           HA       ARG  58  -1.711   3.050  -1.655
  423   1HB   ARG  58           HB1      ARG  58  -3.656   1.261  -0.062
  424   2HB   ARG  58           HB2      ARG  58  -1.902   1.356   0.301
  425   1HG   ARG  58           HG1      ARG  58  -2.816   4.031   0.274
  426   2HG   ARG  58           HG2      ARG  58  -4.082   3.157   1.120
  427   1HD   ARG  58           HD1      ARG  58  -1.050   3.055   1.798
  428   2HD   ARG  58           HD2      ARG  58  -2.278   4.072   2.663
  429    HE   ARG  58           HE       ARG  58  -2.513   1.093   2.432
  430   1HH1  ARG  58          HH21      ARG  58  -1.151   2.654   5.880
  431   2HH1  ARG  58          HH22      ARG  58  -1.501   3.738   4.575
  432   1HH2  ARG  58          HH11      ARG  58  -1.606   0.375   5.682
  433   2HH2  ARG  58          HH12      ARG  58  -2.297  -0.262   4.226
  434    H    TYR  59           HN       TYR  59  -3.929   0.434  -2.672
  435    HA   TYR  59           HA       TYR  59  -1.924  -1.583  -2.698
  436   1HB   TYR  59           HB1      TYR  59  -4.379  -2.048  -2.381
  437   2HB   TYR  59           HB2      TYR  59  -4.685  -1.500  -4.051
  438    HD1  TYR  59           HD2      TYR  59  -1.890  -3.774  -2.774
  439    HD2  TYR  59           HD1      TYR  59  -5.438  -3.398  -5.187
  440    HE1  TYR  59           HE2      TYR  59  -1.521  -6.036  -3.680
  441    HE2  TYR  59           HE1      TYR  59  -5.076  -5.673  -6.060
  442    HH   TYR  59           HH       TYR  59  -3.769  -7.502  -6.054
  443    H    ARG  60           HN       ARG  60  -3.433   0.600  -5.077
  444    HA   ARG  60           HA       ARG  60  -2.065  -0.320  -7.317
  445   1HB   ARG  60           HB1      ARG  60  -3.463   2.358  -6.821
  446   2HB   ARG  60           HB2      ARG  60  -2.924   1.764  -8.426
  447   1HG   ARG  60           HG1      ARG  60  -4.406  -0.218  -8.233
  448   2HG   ARG  60           HG2      ARG  60  -4.932   0.294  -6.598
  449   1HD   ARG  60           HD1      ARG  60  -6.058   2.315  -7.528
  450   2HD   ARG  60           HD2      ARG  60  -5.446   1.914  -9.184
  451    HE   ARG  60           HE       ARG  60  -6.791  -0.083  -9.185
  452   1HH1  ARG  60          HH21      ARG  60  -8.422   0.379  -5.528
  453   2HH1  ARG  60          HH22      ARG  60  -7.409   1.648  -6.131
  454   1HH2  ARG  60          HH11      ARG  60  -8.877  -1.498  -6.848
  455   2HH2  ARG  60          HH12      ARG  60  -8.208  -1.633  -8.440
  456    H    LYS  61           HN       LYS  61  -1.320   2.140  -4.926
  457    HA   LYS  61           HA       LYS  61   0.718   3.414  -6.260
  458   1HB   LYS  61           HB1      LYS  61  -0.778   4.329  -4.432
  459   2HB   LYS  61           HB2      LYS  61  -0.025   3.204  -3.288
  460   1HG   LYS  61           HG1      LYS  61   1.159   4.986  -2.732
  461   2HG   LYS  61           HG2      LYS  61   2.225   4.579  -4.104
  462   1HD   LYS  61           HD1      LYS  61  -0.089   6.632  -4.049
  463   2HD   LYS  61           HD2      LYS  61   1.660   7.009  -4.023
  464   1HE   LYS  61           HE1      LYS  61   1.913   6.056  -6.352
  465   2HE   LYS  61           HE2      LYS  61   0.145   5.678  -6.384
  466   1HZ   LYS  61           HZ1      LYS  61   0.668   7.721  -7.472
  467   2HZ   LYS  61           HZ2      LYS  61  -0.315   7.988  -6.113
  468   3HZ   LYS  61           HZ3      LYS  61   1.340   8.362  -6.049
  469    H    CYS  62           HN       CYS  62   0.796   0.990  -3.698
  470    HA   CYS  62           HA       CYS  62   3.537   0.773  -3.565
  471   1HB   CYS  62           HB1      CYS  62   3.287  -1.026  -2.073
  472   2HB   CYS  62           HB2      CYS  62   1.991   0.122  -1.764
  473    HG1  CYS  62           HG1      CYS  62   1.728  -2.672  -3.502
  474    H    LEU  63           HN       LEU  63   1.215  -0.915  -5.639
  475    HA   LEU  63           HA       LEU  63   2.976  -2.751  -6.760
  476   1HB   LEU  63           HB1      LEU  63   0.316  -1.566  -7.676
  477   2HB   LEU  63           HB2      LEU  63   1.205  -2.681  -8.753
  478    HG   LEU  63           HG       LEU  63   0.382  -3.434  -5.895
  479   1HD1  LEU  63          HD11      LEU  63  -1.498  -4.701  -6.900
  480   2HD1  LEU  63          HD12      LEU  63  -1.653  -2.946  -7.267
  481   3HD1  LEU  63          HD13      LEU  63  -1.074  -4.082  -8.538
  482   1HD2  LEU  63          HD21      LEU  63   0.744  -5.789  -6.744
  483   2HD2  LEU  63          HD22      LEU  63   1.388  -5.116  -8.282
  484   3HD2  LEU  63          HD23      LEU  63   2.253  -4.811  -6.729
  485    H    GLN  64           HN       GLN  64   2.102   0.609  -7.691
  486    HA   GLN  64           HA       GLN  64   3.554   0.687 -10.045
  487   1HB   GLN  64           HB1      GLN  64   2.523   2.826  -8.145
  488   2HB   GLN  64           HB2      GLN  64   3.493   3.301  -9.556
  489   1HG   GLN  64           HG1      GLN  64   0.931   1.585  -9.823
  490   2HG   GLN  64           HG2      GLN  64   0.904   3.377  -9.790
  491   1HE2  GLN  64          HE21      GLN  64   2.504   4.460 -11.426
  492   2HE2  GLN  64          HE22      GLN  64   2.563   3.771 -13.014
  493    H    ALA  65           HN       ALA  65   4.421   1.172  -6.734
  494    HA   ALA  65           HA       ALA  65   6.943   2.283  -7.082
  495   1HB   ALA  65           HB1      ALA  65   7.366   1.931  -4.727
  496   2HB   ALA  65           HB2      ALA  65   5.670   2.471  -4.944
  497   3HB   ALA  65           HB3      ALA  65   6.013   0.740  -4.616
  498    H    GLY  66           HN       GLY  66   5.861  -1.024  -6.992
  499   1HA   GLY  66           HA1      GLY  66   7.091  -2.445  -8.470
  500   2HA   GLY  66           HA2      GLY  66   8.602  -1.950  -7.630
  501    H    MET  67           HN       MET  67   5.657  -2.477  -5.751
  502    HA   MET  67           HA       MET  67   6.922  -4.340  -4.108
  503   1HB   MET  67           HB1      MET  67   3.987  -3.581  -4.357
  504   2HB   MET  67           HB2      MET  67   4.469  -4.900  -3.262
  505   1HG   MET  67           HG1      MET  67   5.546  -2.035  -3.035
  506   2HG   MET  67           HG2      MET  67   4.178  -2.749  -2.124
  507   1HE   MET  67           HE1      MET  67   4.252  -3.758   0.053
  508   2HE   MET  67           HE2      MET  67   5.583  -4.755   0.727
  509   3HE   MET  67           HE3      MET  67   4.662  -5.356  -0.695
  510    H    ASN  68           HN       ASN  68   6.621  -6.708  -3.804
  511    HA   ASN  68           HA       ASN  68   4.834  -8.066  -5.499
  512   1HB   ASN  68           HB1      ASN  68   7.079  -7.454  -7.007
  513   2HB   ASN  68           HB2      ASN  68   7.713  -8.891  -6.188
  514   1HD2  ASN  68          HD21      ASN  68   4.561  -9.113  -8.930
  515   2HD2  ASN  68          HD22      ASN  68   4.894  -7.662  -8.023
  516    H    LEU  69           HN       LEU  69   4.338  -9.873  -4.492
  517    HA   LEU  69           HA       LEU  69   5.813 -10.520  -2.093
  518   1HB   LEU  69           HB1      LEU  69   3.663  -9.964  -1.568
  519   2HB   LEU  69           HB2      LEU  69   2.995 -10.681  -3.071
  520    HG   LEU  69           HG       LEU  69   3.253 -12.988  -2.045
  521   1HD1  LEU  69          HD11      LEU  69   3.584 -13.211   0.391
  522   2HD1  LEU  69          HD12      LEU  69   5.035 -12.419  -0.322
  523   3HD1  LEU  69          HD13      LEU  69   3.808 -11.429   0.556
  524   1HD2  LEU  69          HD21      LEU  69   1.267 -12.702  -0.535
  525   2HD2  LEU  69          HD22      LEU  69   1.486 -10.912  -0.644
  526   3HD2  LEU  69          HD23      LEU  69   1.116 -11.868  -2.118
  527    H    GLU  70           HN       GLU  70   6.812 -11.083  -4.666
  528    HA   GLU  70           HA       GLU  70   7.880 -13.629  -4.304
  529   1HB   GLU  70           HB1      GLU  70   6.374 -13.060  -6.944
  530   2HB   GLU  70           HB2      GLU  70   7.442 -14.474  -6.632
  531   1HG   GLU  70           HG1      GLU  70   5.773 -15.301  -4.898
  532   2HG   GLU  70           HG2      GLU  70   4.686 -13.929  -5.320
  533    H    ALA  71           HN       ALA  71   8.650 -11.054  -3.986
  534    HA   ALA  71           HA       ALA  71   9.854  -9.923  -6.332
  535   1HB   ALA  71           HB1      ALA  71  10.768  -8.218  -4.559
  536   2HB   ALA  71           HB2      ALA  71   9.005  -8.301  -4.762
  537   3HB   ALA  71           HB3      ALA  71   9.765  -9.148  -3.378
  538    H    ARG  72           HN       ARG  72  12.063  -9.296  -6.477
  539    HA   ARG  72           HA       ARG  72  14.052 -10.860  -5.039
  540   1HB   ARG  72           HB1      ARG  72  13.548 -12.186  -7.089
  541   2HB   ARG  72           HB2      ARG  72  13.724 -10.724  -8.097
  542   1HG   ARG  72           HG1      ARG  72  16.170 -10.611  -7.527
  543   2HG   ARG  72           HG2      ARG  72  15.989 -12.004  -6.424
  544   1HD   ARG  72           HD1      ARG  72  17.007 -12.681  -8.623
  545   2HD   ARG  72           HD2      ARG  72  15.433 -13.510  -8.329
  546    HE   ARG  72           HE       ARG  72  14.362 -12.043  -9.905
  547   1HH1  ARG  72          HH21      ARG  72  17.548  -9.770 -10.838
  548   2HH1  ARG  72          HH22      ARG  72  17.772 -11.040  -9.681
  549   1HH2  ARG  72          HH11      ARG  72  14.165 -10.557 -11.558
  550   2HH2  ARG  72          HH12      ARG  72  15.485  -9.493 -11.912
   
  No H/Q in entry =         550
  Start of MODEL   11
    1   1H    LEU   1           HT1      LEU   1  12.251   6.544   4.732
    2   2H    LEU   1           HT2      LEU   1  11.765   4.924   4.573
    3   3H    LEU   1           HT3      LEU   1  12.280   5.794   3.209
    4    HA   LEU   1           HA       LEU   1   9.914   6.317   4.838
    5   1HB   LEU   1           HB1      LEU   1  10.982   7.661   2.275
    6   2HB   LEU   1           HB2      LEU   1   9.318   7.924   2.871
    7    HG   LEU   1           HG       LEU   1  11.837   8.607   4.489
    8   1HD1  LEU   1          HD11      LEU   1  11.426  10.974   3.864
    9   2HD1  LEU   1          HD12      LEU   1  11.757   9.963   2.413
   10   3HD1  LEU   1          HD13      LEU   1  10.069  10.475   2.786
   11   1HD2  LEU   1          HD21      LEU   1   8.871   9.368   4.920
   12   2HD2  LEU   1          HD22      LEU   1   9.860   8.253   5.936
   13   3HD2  LEU   1          HD23      LEU   1  10.268  10.000   5.868
   14    H    CYS   2           HN       CYS   2   7.983   5.509   4.131
   15    HA   CYS   2           HA       CYS   2   7.744   3.292   2.507
   16   1HB   CYS   2           HB1      CYS   2   6.308   3.679   4.492
   17   2HB   CYS   2           HB2      CYS   2   5.637   5.174   3.692
   18    H    LEU   3           HN       LEU   3   7.167   3.163   0.305
   19    HA   LEU   3           HA       LEU   3   7.237   5.757  -0.946
   20   1HB   LEU   3           HB1      LEU   3   7.862   2.946  -1.843
   21   2HB   LEU   3           HB2      LEU   3   7.880   4.296  -3.037
   22    HG   LEU   3           HG       LEU   3   9.582   4.270  -0.488
   23   1HD1  LEU   3          HD11      LEU   3  11.565   3.762  -1.973
   24   2HD1  LEU   3          HD12      LEU   3  10.396   2.413  -1.848
   25   3HD1  LEU   3          HD13      LEU   3  10.430   3.434  -3.335
   26   1HD2  LEU   3          HD21      LEU   3  10.896   6.086  -1.600
   27   2HD2  LEU   3          HD22      LEU   3   9.746   6.067  -2.989
   28   3HD2  LEU   3          HD23      LEU   3   9.182   6.555  -1.348
   29    H    VAL   4           HN       VAL   4   5.003   4.397   0.230
   30    HA   VAL   4           HA       VAL   4   3.106   4.299  -2.010
   31    HB   VAL   4           HB       VAL   4   2.718   2.889   0.662
   32   1HG1  VAL   4          HG21      VAL   4   1.248   2.573  -1.980
   33   2HG1  VAL   4          HG22      VAL   4   0.959   1.644  -0.448
   34   3HG1  VAL   4          HG23      VAL   4   0.669   3.422  -0.496
   35   1HG2  VAL   4          HG11      VAL   4   3.993   1.709  -1.824
   36   2HG2  VAL   4          HG12      VAL   4   4.705   1.959  -0.196
   37   3HG2  VAL   4          HG13      VAL   4   3.369   0.773  -0.394
   38    H    CYS   5           HN       CYS   5   3.071   4.677   1.516
   39    HA   CYS   5           HA       CYS   5   1.119   6.871   1.169
   40   1HB   CYS   5           HB1      CYS   5   0.134   6.430   3.270
   41   2HB   CYS   5           HB2      CYS   5   0.096   4.964   2.281
   42    H    SER   6           HN       SER   6   4.106   6.769   1.115
   43    HA   SER   6           HA       SER   6   5.869   7.960   1.867
   44   1HB   SER   6           HB1      SER   6   3.974  10.264   1.807
   45   2HB   SER   6           HB2      SER   6   5.699  10.231   1.248
   46    HG   SER   6           HG1      SER   6   4.875   8.751  -0.362
   47    H    ASP   7           HN       ASP   7   5.355   6.715   3.947
   48    HA   ASP   7           HA       ASP   7   5.152   8.517   6.292
   49   1HB   ASP   7           HB1      ASP   7   3.270   6.896   5.825
   50   2HB   ASP   7           HB2      ASP   7   4.422   5.546   5.776
   51    H    GLU   8           HN       GLU   8   6.414   7.472   8.232
   52    HA   GLU   8           HA       GLU   8   9.077   7.071   7.554
   53   1HB   GLU   8           HB1      GLU   8   8.702   6.188  10.277
   54   2HB   GLU   8           HB2      GLU   8   9.433   7.681   9.645
   55   1HG   GLU   8           HG1      GLU   8   7.167   8.794   9.587
   56   2HG   GLU   8           HG2      GLU   8   6.413   7.294  10.232
   57    H    ALA   9           HN       ALA   9   9.796   5.226   6.492
   58    HA   ALA   9           HA       ALA   9   8.387   2.751   6.942
   59   1HB   ALA   9           HB1      ALA   9  10.124   1.883   5.128
   60   2HB   ALA   9           HB2      ALA   9   8.815   2.959   4.604
   61   3HB   ALA   9           HB3      ALA   9  10.488   3.605   4.915
   62    H    SER  10           HN       SER  10   9.248   0.816   7.529
   63    HA   SER  10           HA       SER  10  11.909   0.435   8.164
   64   1HB   SER  10           HB1      SER  10  11.639  -0.014  10.693
   65   2HB   SER  10           HB2      SER  10  11.632   1.710  10.228
   66    HG   SER  10           HG1      SER  10   9.361   1.641  10.259
   67    H    GLY  11           HN       GLY  11  10.589  -0.881   6.364
   68   1HA   GLY  11           HA1      GLY  11  10.657  -3.480   7.160
   69   2HA   GLY  11           HA2      GLY  11   8.930  -2.949   7.318
   70    H    CYS  12           HN       CYS  12  11.686  -3.355   5.085
   71    HA   CYS  12           HA       CYS  12   9.955  -3.080   2.741
   72   1HB   CYS  12           HB1      CYS  12  12.091  -3.268   1.436
   73   2HB   CYS  12           HB2      CYS  12  12.042  -1.878   2.544
   74    HG1  CYS  12           HG1      CYS  12  13.561  -4.759   3.103
   75    H    HIS  13           HN       HIS  13   9.512  -4.996   1.364
   76    HA   HIS  13           HA       HIS  13  10.860  -7.439   2.199
   77   1HB   HIS  13           HB1      HIS  13   8.851  -6.988   3.857
   78   2HB   HIS  13           HB2      HIS  13   7.810  -7.516   2.525
   79    HD2  HIS  13           HD2      HIS  13   9.077  -8.944   5.606
   80    HE1  HIS  13           HE1      HIS  13   9.480 -12.167   2.897
   81    HE2  HIS  13           HE2      HIS  13   9.426 -11.478   5.357
   82    H    TYR  14           HN       TYR  14   8.041  -6.148   0.325
   83    HA   TYR  14           HA       TYR  14   8.344  -8.366  -1.529
   84   1HB   TYR  14           HB1      TYR  14   6.104  -6.340  -1.324
   85   2HB   TYR  14           HB2      TYR  14   5.978  -7.806  -2.192
   86    HD1  TYR  14           HD1      TYR  14   6.946 -10.071  -0.571
   87    HD2  TYR  14           HD2      TYR  14   5.059  -6.491   0.599
   88    HE1  TYR  14           HE1      TYR  14   6.428 -11.125   1.569
   89    HE2  TYR  14           HE2      TYR  14   4.391  -7.552   2.777
   90    HH   TYR  14           HH       TYR  14   5.413 -10.893   3.576
   91    H    GLY  15           HN       GLY  15  10.199  -6.490  -1.364
   92   1HA   GLY  15           HA1      GLY  15  11.752  -6.119  -3.026
   93   2HA   GLY  15           HA2      GLY  15  10.446  -5.778  -4.202
   94    H    VAL  16           HN       VAL  16   9.417  -3.848  -1.807
   95    HA   VAL  16           HA       VAL  16  11.207  -1.632  -2.607
   96    HB   VAL  16           HB       VAL  16   8.212  -1.383  -2.182
   97   1HG1  VAL  16          HG21      VAL  16  10.220   0.393  -3.656
   98   2HG1  VAL  16          HG22      VAL  16   8.431   0.520  -3.804
   99   3HG1  VAL  16          HG23      VAL  16   9.188   0.773  -2.204
  100   1HG2  VAL  16          HG11      VAL  16   9.504  -1.949  -4.921
  101   2HG2  VAL  16          HG12      VAL  16   8.384  -3.035  -4.014
  102   3HG2  VAL  16          HG13      VAL  16   7.795  -1.440  -4.616
  103    H    LEU  17           HN       LEU  17  11.273   0.072  -1.239
  104    HA   LEU  17           HA       LEU  17  11.167  -0.437   1.519
  105   1HB   LEU  17           HB1      LEU  17  12.897   1.043   0.469
  106   2HB   LEU  17           HB2      LEU  17  11.635   2.262   0.156
  107    HG   LEU  17           HG       LEU  17  11.238   2.499   2.615
  108   1HD1  LEU  17          HD11      LEU  17  12.836   1.494   4.278
  109   2HD1  LEU  17          HD12      LEU  17  11.788   0.274   3.486
  110   3HD1  LEU  17          HD13      LEU  17  13.510   0.448   2.975
  111   1HD2  LEU  17          HD21      LEU  17  13.365   3.652   3.190
  112   2HD2  LEU  17          HD22      LEU  17  14.203   2.816   1.831
  113   3HD2  LEU  17          HD23      LEU  17  12.876   3.987   1.489
  114    H    THR  18           HN       THR  18   9.317  -0.634   2.577
  115    HA   THR  18           HA       THR  18   7.181   1.338   2.123
  116    HB   THR  18           HB       THR  18   5.665  -0.837   2.814
  117    HG1  THR  18           HG1      THR  18   7.947  -2.102   1.729
  118   1HG2  THR  18          HG21      THR  18   5.298  -1.559   0.570
  119   2HG2  THR  18          HG22      THR  18   5.541   0.232   0.632
  120   3HG2  THR  18          HG23      THR  18   6.874  -0.859   0.007
  121    H    CYS  19           HN       CYS  19   5.588   1.054   3.953
  122    HA   CYS  19           HA       CYS  19   7.187   1.389   6.328
  123   1HB   CYS  19           HB1      CYS  19   5.317   2.166   7.603
  124   2HB   CYS  19           HB2      CYS  19   5.614   3.114   6.209
  125    H    GLY  20           HN       GLY  20   5.400   0.488   8.368
  126   1HA   GLY  20           HA1      GLY  20   6.028  -2.311   8.417
  127   2HA   GLY  20           HA2      GLY  20   5.153  -1.314   9.641
  128    H    SER  21           HN       SER  21   3.052  -0.305   8.315
  129    HA   SER  21           HA       SER  21   1.328  -2.515   8.154
  130   1HB   SER  21           HB1      SER  21  -0.529  -0.940   7.852
  131   2HB   SER  21           HB2      SER  21   0.561  -0.463   9.191
  132    HG   SER  21           HG1      SER  21   1.564   0.977   7.709
  133    H    CYS  22           HN       CYS  22   2.803  -0.595   5.473
  134    HA   CYS  22           HA       CYS  22   0.995  -1.471   3.555
  135   1HB   CYS  22           HB1      CYS  22   3.674  -0.161   3.186
  136   2HB   CYS  22           HB2      CYS  22   2.695  -0.732   1.798
  137    H    LYS  23           HN       LYS  23   3.713  -2.988   4.902
  138    HA   LYS  23           HA       LYS  23   4.242  -4.897   2.997
  139   1HB   LYS  23           HB1      LYS  23   5.709  -4.277   4.954
  140   2HB   LYS  23           HB2      LYS  23   4.552  -5.087   6.037
  141   1HG   LYS  23           HG1      LYS  23   5.080  -7.302   4.882
  142   2HG   LYS  23           HG2      LYS  23   6.233  -6.441   3.821
  143   1HD   LYS  23           HD1      LYS  23   7.464  -7.552   5.523
  144   2HD   LYS  23           HD2      LYS  23   7.607  -5.805   5.849
  145   1HE   LYS  23           HE1      LYS  23   5.567  -7.640   7.312
  146   2HE   LYS  23           HE2      LYS  23   7.265  -7.426   7.875
  147   1HZ   LYS  23           HZ1      LYS  23   5.750  -5.996   8.994
  148   2HZ   LYS  23           HZ2      LYS  23   6.882  -5.103   8.096
  149   3HZ   LYS  23           HZ3      LYS  23   5.287  -5.261   7.534
  150    H    VAL  24           HN       VAL  24   2.440  -5.163   5.996
  151    HA   VAL  24           HA       VAL  24   1.265  -7.616   5.594
  152    HB   VAL  24           HB       VAL  24   0.221  -5.333   7.388
  153   1HG1  VAL  24          HG21      VAL  24   0.010  -8.380   7.831
  154   2HG1  VAL  24          HG22      VAL  24  -0.532  -7.082   8.971
  155   3HG1  VAL  24          HG23      VAL  24  -1.335  -7.269   7.373
  156   1HG2  VAL  24          HG11      VAL  24   2.506  -7.284   8.045
  157   2HG2  VAL  24          HG12      VAL  24   2.611  -5.494   7.826
  158   3HG2  VAL  24          HG13      VAL  24   1.704  -6.164   9.211
  159    H    PHE  25           HN       PHE  25   0.114  -4.459   4.857
  160    HA   PHE  25           HA       PHE  25  -2.539  -4.778   4.256
  161   1HB   PHE  25           HB1      PHE  25  -1.425  -2.574   4.439
  162   2HB   PHE  25           HB2      PHE  25  -0.280  -3.008   3.164
  163    HD1  PHE  25           HD1      PHE  25  -4.123  -2.967   3.348
  164    HD2  PHE  25           HD2      PHE  25  -0.502  -1.838   1.302
  165    HE1  PHE  25           HE1      PHE  25  -5.446  -2.121   1.435
  166    HE2  PHE  25           HE2      PHE  25  -1.801  -1.041  -0.584
  167    HZ   PHE  25           HZ       PHE  25  -4.285  -1.200  -0.565
  168    H    PHE  26           HN       PHE  26   0.262  -4.724   2.179
  169    HA   PHE  26           HA       PHE  26  -0.915  -5.373  -0.207
  170   1HB   PHE  26           HB1      PHE  26   1.194  -4.131  -0.045
  171   2HB   PHE  26           HB2      PHE  26   2.017  -5.570   0.637
  172    HD1  PHE  26           HD2      PHE  26  -0.058  -4.609  -2.412
  173    HD2  PHE  26           HD1      PHE  26   3.227  -6.875  -0.837
  174    HE1  PHE  26           HE2      PHE  26   0.574  -5.272  -4.698
  175    HE2  PHE  26           HE1      PHE  26   3.879  -7.496  -3.097
  176    HZ   PHE  26           HZ       PHE  26   2.554  -6.797  -5.055
  177    H    LYS  27           HN       LYS  27   0.641  -7.435   2.149
  178    HA   LYS  27           HA       LYS  27   0.631  -9.811   0.726
  179   1HB   LYS  27           HB1      LYS  27   2.194  -9.488   2.477
  180   2HB   LYS  27           HB2      LYS  27   0.911  -9.111   3.680
  181   1HG   LYS  27           HG1      LYS  27   1.886 -11.311   4.126
  182   2HG   LYS  27           HG2      LYS  27   0.179 -11.489   3.658
  183   1HD   LYS  27           HD1      LYS  27   1.631 -11.707   1.201
  184   2HD   LYS  27           HD2      LYS  27   2.644 -12.576   2.387
  185   1HE   LYS  27           HE1      LYS  27  -0.367 -13.068   1.855
  186   2HE   LYS  27           HE2      LYS  27   0.981 -14.054   1.169
  187   1HZ   LYS  27           HZ1      LYS  27   0.326 -13.720   4.036
  188   2HZ   LYS  27           HZ2      LYS  27   0.007 -15.078   3.067
  189   3HZ   LYS  27           HZ3      LYS  27   1.612 -14.633   3.405
  190    H    ARG  28           HN       ARG  28  -1.911  -8.231   2.648
  191    HA   ARG  28           HA       ARG  28  -3.695 -10.495   2.442
  192   1HB   ARG  28           HB1      ARG  28  -3.718  -7.819   3.802
  193   2HB   ARG  28           HB2      ARG  28  -5.312  -8.329   3.195
  194   1HG   ARG  28           HG1      ARG  28  -5.138  -9.028   5.460
  195   2HG   ARG  28           HG2      ARG  28  -5.182 -10.467   4.395
  196   1HD   ARG  28           HD1      ARG  28  -2.739 -10.838   4.684
  197   2HD   ARG  28           HD2      ARG  28  -2.559  -9.301   5.611
  198    HE   ARG  28           HE       ARG  28  -4.026 -11.771   6.498
  199   1HH1  ARG  28          HH21      ARG  28  -3.975  -8.536   8.901
  200   2HH1  ARG  28          HH22      ARG  28  -3.198  -8.416   7.357
  201   1HH2  ARG  28          HH11      ARG  28  -4.900 -10.568   9.606
  202   2HH2  ARG  28          HH12      ARG  28  -4.816 -11.969   8.590
  203    H    ALA  29           HN       ALA  29  -3.138  -7.418   0.921
  204    HA   ALA  29           HA       ALA  29  -5.418  -7.280  -0.672
  205   1HB   ALA  29           HB1      ALA  29  -4.270  -5.404  -1.814
  206   2HB   ALA  29           HB2      ALA  29  -3.933  -5.319  -0.056
  207   3HB   ALA  29           HB3      ALA  29  -2.679  -5.985  -1.156
  208    H    VAL  30           HN       VAL  30  -2.706  -9.258  -1.019
  209    HA   VAL  30           HA       VAL  30  -3.066  -9.649  -3.906
  210    HB   VAL  30           HB       VAL  30  -0.695 -10.275  -2.095
  211   1HG1  VAL  30          HG21      VAL  30  -0.983 -10.639  -5.142
  212   2HG1  VAL  30          HG22      VAL  30   0.513 -10.938  -4.166
  213   3HG1  VAL  30          HG23      VAL  30  -0.962 -11.965  -3.920
  214   1HG2  VAL  30          HG11      VAL  30  -0.561  -8.322  -4.444
  215   2HG2  VAL  30          HG12      VAL  30  -1.087  -7.767  -2.830
  216   3HG2  VAL  30          HG13      VAL  30   0.523  -8.518  -3.005
  217    H    GLU  31           HN       GLU  31  -1.806 -11.650  -1.294
  218    HA   GLU  31           HA       GLU  31  -3.513 -13.887  -2.153
  219   1HB   GLU  31           HB1      GLU  31  -0.916 -13.895  -0.537
  220   2HB   GLU  31           HB2      GLU  31  -1.969 -15.331  -0.784
  221   1HG   GLU  31           HG1      GLU  31  -1.692 -15.024  -3.321
  222   2HG   GLU  31           HG2      GLU  31  -0.464 -13.763  -2.973
  223    H    GLY  32           HN       GLY  32  -5.077 -12.307  -1.057
  224   1HA   GLY  32           HA1      GLY  32  -5.928 -13.724   1.298
  225   2HA   GLY  32           HA2      GLY  32  -5.384 -12.027   1.638
  226    H    GLN  33           HN       GLN  33  -7.498 -11.457   2.316
  227    HA   GLN  33           HA       GLN  33  -9.561 -11.359   0.243
  228   1HB   GLN  33           HB1      GLN  33 -11.176 -10.903   1.976
  229   2HB   GLN  33           HB2      GLN  33 -10.264 -12.373   2.341
  230   1HG   GLN  33           HG1      GLN  33 -10.102 -11.582   4.441
  231   2HG   GLN  33           HG2      GLN  33  -8.736 -10.606   3.836
  232   1HE2  GLN  33          HE21      GLN  33  -9.039  -8.290   3.689
  233   2HE2  GLN  33          HE22      GLN  33 -10.457  -7.479   4.269
  234    H    HIS  34           HN       HIS  34 -10.297  -9.382  -0.501
  235    HA   HIS  34           HA       HIS  34  -8.601  -7.060   0.149
  236   1HB   HIS  34           HB1      HIS  34 -10.111  -7.579  -2.461
  237   2HB   HIS  34           HB2      HIS  34  -8.803  -6.384  -2.165
  238    HD2  HIS  34           HD2      HIS  34  -6.990  -9.410  -0.876
  239    HE1  HIS  34           HE1      HIS  34  -7.057  -9.968  -5.056
  240    HE2  HIS  34           HE2      HIS  34  -6.059 -10.733  -2.835
  241    H    ASN  35           HN       ASN  35 -10.613  -5.631  -1.679
  242    HA   ASN  35           HA       ASN  35 -12.571  -4.796  -1.795
  243   1HB   ASN  35           HB1      ASN  35 -13.673  -6.680  -0.432
  244   2HB   ASN  35           HB2      ASN  35 -13.498  -5.645   1.012
  245   1HD2  ASN  35          HD21      ASN  35 -16.376  -3.688   0.227
  246   2HD2  ASN  35          HD22      ASN  35 -15.142  -4.116   1.366
  247    H    TYR  36           HN       TYR  36 -11.576  -2.893  -1.993
  248    HA   TYR  36           HA       TYR  36 -11.577  -1.136   0.319
  249   1HB   TYR  36           HB1      TYR  36  -9.381  -0.798  -1.725
  250   2HB   TYR  36           HB2      TYR  36  -9.475  -0.172  -0.038
  251    HD1  TYR  36           HD1      TYR  36  -9.366  -2.011   1.823
  252    HD2  TYR  36           HD2      TYR  36  -8.098  -2.702  -2.232
  253    HE1  TYR  36           HE1      TYR  36  -7.994  -3.911   2.576
  254    HE2  TYR  36           HE2      TYR  36  -6.722  -4.598  -1.478
  255    HH   TYR  36           HH       TYR  36  -6.011  -5.829   0.282
  256    H    LEU  37           HN       LEU  37 -11.467  -1.631  -3.209
  257    HA   LEU  37           HA       LEU  37 -12.561  -0.891  -4.863
  258   1HB   LEU  37           HB1      LEU  37 -14.621   0.385  -3.002
  259   2HB   LEU  37           HB2      LEU  37 -14.845  -0.026  -4.727
  260    HG   LEU  37           HG       LEU  37 -14.355  -2.040  -2.441
  261   1HD1  LEU  37          HD11      LEU  37 -16.743  -2.641  -2.684
  262   2HD1  LEU  37          HD12      LEU  37 -16.543  -0.918  -2.215
  263   3HD1  LEU  37          HD13      LEU  37 -16.965  -1.341  -3.916
  264   1HD2  LEU  37          HD21      LEU  37 -15.053  -3.784  -4.117
  265   2HD2  LEU  37          HD22      LEU  37 -15.028  -2.532  -5.413
  266   3HD2  LEU  37          HD23      LEU  37 -13.508  -2.981  -4.553
  267    H    CYS  38           HN       CYS  38 -11.415   0.522  -6.090
  268    HA   CYS  38           HA       CYS  38 -12.314   3.086  -6.331
  269   1HB   CYS  38           HB1      CYS  38 -10.589   3.203  -4.235
  270   2HB   CYS  38           HB2      CYS  38  -9.343   3.202  -5.493
  271    H    ALA  39           HN       ALA  39 -12.188   0.908  -7.679
  272    HA   ALA  39           HA       ALA  39 -10.071   0.946  -9.643
  273   1HB   ALA  39           HB1      ALA  39 -11.170  -1.126 -10.538
  274   2HB   ALA  39           HB2      ALA  39 -10.880  -1.270  -8.769
  275   3HB   ALA  39           HB3      ALA  39 -12.530  -0.887  -9.365
  276    H    GLY  40           HN       GLY  40 -13.112   2.266  -9.034
  277   1HA   GLY  40           HA1      GLY  40 -13.962   2.563 -11.802
  278   2HA   GLY  40           HA2      GLY  40 -14.818   3.001 -10.278
  279    H    ARG  41           HN       ARG  41 -12.239   4.442  -9.241
  280    HA   ARG  41           HA       ARG  41 -12.448   6.786 -10.978
  281   1HB   ARG  41           HB1      ARG  41 -12.335   6.924  -7.940
  282   2HB   ARG  41           HB2      ARG  41 -12.460   8.258  -9.141
  283   1HG   ARG  41           HG1      ARG  41 -14.686   7.115  -9.901
  284   2HG   ARG  41           HG2      ARG  41 -14.572   6.137  -8.410
  285   1HD   ARG  41           HD1      ARG  41 -14.750   9.232  -8.563
  286   2HD   ARG  41           HD2      ARG  41 -16.101   8.094  -8.162
  287    HE   ARG  41           HE       ARG  41 -14.630   7.356  -6.202
  288   1HH1  ARG  41          HH21      ARG  41 -15.675  11.193  -5.618
  289   2HH1  ARG  41          HH22      ARG  41 -15.450  10.650  -7.246
  290   1HH2  ARG  41          HH11      ARG  41 -15.212   9.777  -3.821
  291   2HH2  ARG  41          HH12      ARG  41 -14.637   8.166  -4.093
  292    H    ASN  42           HN       ASN  42 -10.584   6.065  -8.090
  293    HA   ASN  42           HA       ASN  42  -8.479   5.993  -7.594
  294   1HB   ASN  42           HB1      ASN  42  -8.042   4.307  -9.371
  295   2HB   ASN  42           HB2      ASN  42  -7.787   5.605 -10.568
  296   1HD2  ASN  42          HD21      ASN  42  -4.320   5.769  -9.878
  297   2HD2  ASN  42          HD22      ASN  42  -5.632   5.982 -10.988
  298    H    ASP  43           HN       ASP  43  -9.362   8.162  -7.043
  299    HA   ASP  43           HA       ASP  43  -8.130  10.360  -8.564
  300   1HB   ASP  43           HB1      ASP  43  -9.797  11.656  -6.732
  301   2HB   ASP  43           HB2      ASP  43 -10.117  11.302  -8.450
  302    H    CYS  44           HN       CYS  44  -8.834   9.206  -5.154
  303    HA   CYS  44           HA       CYS  44  -7.685  11.206  -3.954
  304   1HB   CYS  44           HB1      CYS  44  -7.435   8.866  -2.204
  305   2HB   CYS  44           HB2      CYS  44  -8.617  10.177  -2.207
  306    H    ILE  45           HN       ILE  45  -5.732  11.632  -2.876
  307    HA   ILE  45           HA       ILE  45  -3.362  10.282  -3.904
  308    HB   ILE  45           HB       ILE  45  -3.608  12.794  -2.161
  309   1HG1  ILE  45          HG11      ILE  45  -4.650  13.248  -4.319
  310   2HG1  ILE  45          HG12      ILE  45  -3.129  14.152  -4.121
  311   1HG2  ILE  45          HG21      ILE  45  -1.237  13.275  -2.795
  312   2HG2  ILE  45          HG22      ILE  45  -1.373  11.747  -1.863
  313   3HG2  ILE  45          HG23      ILE  45  -1.135  11.688  -3.643
  314   1HD1  ILE  45           HD1      ILE  45  -3.353  13.293  -6.439
  315   2HD1  ILE  45           HD2      ILE  45  -1.941  12.520  -5.638
  316   3HD1  ILE  45           HD3      ILE  45  -3.480  11.601  -5.843
  317    H    ILE  46           HN       ILE  46  -2.106   9.014  -2.617
  318    HA   ILE  46           HA       ILE  46  -2.984   8.523   0.150
  319    HB   ILE  46           HB       ILE  46  -2.344   6.782  -2.189
  320   1HG1  ILE  46          HG11      ILE  46  -3.969   5.291  -1.270
  321   2HG1  ILE  46          HG12      ILE  46  -3.884   6.025   0.356
  322   1HG2  ILE  46          HG21      ILE  46  -1.667   4.815  -0.902
  323   2HG2  ILE  46          HG22      ILE  46  -0.381   6.065  -0.914
  324   3HG2  ILE  46          HG23      ILE  46  -1.371   5.815   0.574
  325   1HD1  ILE  46           HD1      ILE  46  -5.965   6.513  -0.940
  326   2HD1  ILE  46           HD2      ILE  46  -5.112   7.984  -0.357
  327   3HD1  ILE  46           HD3      ILE  46  -4.990   7.477  -2.109
  328    H    ASP  47           HN       ASP  47  -1.760   9.536   1.461
  329    HA   ASP  47           HA       ASP  47   1.076   9.219   1.327
  330   1HB   ASP  47           HB1      ASP  47   1.750  11.449   1.677
  331   2HB   ASP  47           HB2      ASP  47   0.973  11.304   0.087
  332    H    LYS  48           HN       LYS  48   1.597  10.774   3.603
  333    HA   LYS  48           HA       LYS  48   0.964   8.947   5.503
  334   1HB   LYS  48           HB1      LYS  48   2.916  10.579   5.237
  335   2HB   LYS  48           HB2      LYS  48   1.939  11.804   6.063
  336   1HG   LYS  48           HG1      LYS  48   2.227   9.100   7.437
  337   2HG   LYS  48           HG2      LYS  48   3.728  10.047   7.232
  338   1HD   LYS  48           HD1      LYS  48   2.754  11.978   8.458
  339   2HD   LYS  48           HD2      LYS  48   1.198  11.128   8.628
  340   1HE   LYS  48           HE1      LYS  48   2.394  10.930  10.748
  341   2HE   LYS  48           HE2      LYS  48   2.364   9.299   9.983
  342   1HZ   LYS  48           HZ1      LYS  48   4.483   9.820  10.889
  343   2HZ   LYS  48           HZ2      LYS  48   4.596   9.708   9.197
  344   3HZ   LYS  48           HZ3      LYS  48   4.607  11.230   9.952
  345    H    ILE  49           HN       ILE  49  -1.128  11.430   4.556
  346    HA   ILE  49           HA       ILE  49  -2.597  11.376   7.108
  347    HB   ILE  49           HB       ILE  49  -2.206  13.507   4.955
  348   1HG1  ILE  49          HG11      ILE  49  -0.402  13.515   6.567
  349   2HG1  ILE  49          HG12      ILE  49  -1.399  14.980   6.737
  350   1HG2  ILE  49          HG21      ILE  49  -3.795  15.019   6.162
  351   2HG2  ILE  49          HG22      ILE  49  -4.573  13.572   5.425
  352   3HG2  ILE  49          HG23      ILE  49  -4.296  13.624   7.205
  353   1HD1  ILE  49           HD1      ILE  49  -0.742  14.136   8.966
  354   2HD1  ILE  49           HD2      ILE  49  -2.526  13.965   8.777
  355   3HD1  ILE  49           HD3      ILE  49  -1.454  12.521   8.621
  356    H    ARG  50           HN       ARG  50  -2.836  11.638   3.620
  357    HA   ARG  50           HA       ARG  50  -5.644  11.203   3.636
  358   1HB   ARG  50           HB1      ARG  50  -3.689  11.613   1.349
  359   2HB   ARG  50           HB2      ARG  50  -5.479  11.547   1.151
  360   1HG   ARG  50           HG1      ARG  50  -3.940  13.606   2.855
  361   2HG   ARG  50           HG2      ARG  50  -4.574  13.877   1.209
  362   1HD   ARG  50           HD1      ARG  50  -6.924  13.671   1.982
  363   2HD   ARG  50           HD2      ARG  50  -6.384  13.145   3.618
  364    HE   ARG  50           HE       ARG  50  -5.480  15.305   4.056
  365   1HH1  ARG  50          HH21      ARG  50  -6.472  17.048   0.561
  366   2HH1  ARG  50          HH22      ARG  50  -6.920  15.390   0.794
  367   1HH2  ARG  50          HH11      ARG  50  -5.431  18.249   2.283
  368   2HH2  ARG  50          HH12      ARG  50  -5.102  17.488   3.804
  369    H    ARG  51           HN       ARG  51  -3.276   8.987   3.891
  370    HA   ARG  51           HA       ARG  51  -4.304   7.039   2.128
  371   1HB   ARG  51           HB1      ARG  51  -2.838   5.461   2.752
  372   2HB   ARG  51           HB2      ARG  51  -1.939   6.947   2.903
  373   1HG   ARG  51           HG1      ARG  51  -3.161   5.311   5.239
  374   2HG   ARG  51           HG2      ARG  51  -1.487   5.215   4.663
  375   1HD   ARG  51           HD1      ARG  51  -1.124   7.642   5.325
  376   2HD   ARG  51           HD2      ARG  51  -2.779   7.674   6.048
  377    HE   ARG  51           HE       ARG  51  -0.433   5.964   6.854
  378   1HH1  ARG  51          HH21      ARG  51  -3.896   5.577   8.873
  379   2HH1  ARG  51          HH22      ARG  51  -3.824   6.758   7.609
  380   1HH2  ARG  51          HH11      ARG  51  -1.995   4.336   9.445
  381   2HH2  ARG  51          HH12      ARG  51  -0.500   4.589   8.609
  382    H    LYS  52           HN       LYS  52  -5.335   8.056   5.245
  383    HA   LYS  52           HA       LYS  52  -6.708   5.676   5.952
  384   1HB   LYS  52           HB1      LYS  52  -5.457   7.676   7.342
  385   2HB   LYS  52           HB2      LYS  52  -7.113   8.261   7.491
  386   1HG   LYS  52           HG1      LYS  52  -6.112   5.429   8.258
  387   2HG   LYS  52           HG2      LYS  52  -6.223   6.802   9.392
  388   1HD   LYS  52           HD1      LYS  52  -8.614   5.487   7.952
  389   2HD   LYS  52           HD2      LYS  52  -8.091   5.162   9.626
  390   1HE   LYS  52           HE1      LYS  52  -8.576   7.511  10.315
  391   2HE   LYS  52           HE2      LYS  52  -9.045   7.941   8.627
  392   1HZ   LYS  52           HZ1      LYS  52 -10.360   5.933  10.353
  393   2HZ   LYS  52           HZ2      LYS  52 -10.922   7.490   9.974
  394   3HZ   LYS  52           HZ3      LYS  52 -10.786   6.316   8.754
  395    H    ASN  53           HN       ASN  53  -7.391   7.626   3.523
  396    HA   ASN  53           HA       ASN  53 -10.224   7.974   4.075
  397   1HB   ASN  53           HB1      ASN  53  -8.373   9.406   2.043
  398   2HB   ASN  53           HB2      ASN  53 -10.143   9.521   1.992
  399   1HD2  ASN  53          HD21      ASN  53  -8.064  11.486   5.035
  400   2HD2  ASN  53          HD22      ASN  53  -7.286  10.245   4.113
  401    H    CYS  54           HN       CYS  54  -7.762   6.215   2.310
  402    HA   CYS  54           HA       CYS  54  -9.784   4.616   1.060
  403   1HB   CYS  54           HB1      CYS  54  -9.759   6.516  -0.490
  404   2HB   CYS  54           HB2      CYS  54  -7.999   6.436  -0.647
  405    HA   PRO  55           HA       PRO  55  -5.908   2.236   1.563
  406   1HB   PRO  55           HB1      PRO  55  -7.718  -0.065   2.104
  407   2HB   PRO  55           HB2      PRO  55  -6.447   0.604   3.104
  408   1HG   PRO  55           HG1      PRO  55  -9.071   0.920   3.736
  409   2HG   PRO  55           HG2      PRO  55  -7.916   2.209   4.042
  410   1HD   PRO  55           HD1      PRO  55  -9.721   1.915   1.607
  411   2HD   PRO  55           HD2      PRO  55  -9.557   3.306   2.687
  412    H    ALA  56           HN       ALA  56  -7.802   2.614  -1.065
  413    HA   ALA  56           HA       ALA  56  -7.476   0.008  -2.279
  414   1HB   ALA  56           HB1      ALA  56  -9.114   0.731  -3.905
  415   2HB   ALA  56           HB2      ALA  56  -9.737   1.304  -2.300
  416   3HB   ALA  56           HB3      ALA  56  -8.925   2.448  -3.390
  417    H    CYS  57           HN       CYS  57  -6.948   3.523  -2.818
  418    HA   CYS  57           HA       CYS  57  -5.409   3.411  -5.053
  419   1HB   CYS  57           HB1      CYS  57  -5.667   5.366  -2.758
  420   2HB   CYS  57           HB2      CYS  57  -4.575   5.711  -4.097
  421    H    ARG  58           HN       ARG  58  -4.460   3.056  -1.727
  422    HA   ARG  58           HA       ARG  58  -1.763   3.197  -1.922
  423   1HB   ARG  58           HB1      ARG  58  -3.077   1.102  -0.083
  424   2HB   ARG  58           HB2      ARG  58  -1.546   2.000   0.176
  425   1HG   ARG  58           HG1      ARG  58  -3.096   4.097   0.283
  426   2HG   ARG  58           HG2      ARG  58  -4.447   2.965   0.351
  427   1HD   ARG  58           HD1      ARG  58  -2.140   3.420   2.367
  428   2HD   ARG  58           HD2      ARG  58  -3.925   3.631   2.630
  429    HE   ARG  58           HE       ARG  58  -2.637   0.964   2.143
  430   1HH1  ARG  58          HH21      ARG  58  -3.690   2.070   5.876
  431   2HH1  ARG  58          HH22      ARG  58  -4.029   3.166   4.579
  432   1HH2  ARG  58          HH11      ARG  58  -2.767  -0.029   5.445
  433   2HH2  ARG  58          HH12      ARG  58  -2.412  -0.518   3.821
  434    H    TYR  59           HN       TYR  59  -3.935   0.524  -2.783
  435    HA   TYR  59           HA       TYR  59  -1.963  -1.519  -2.874
  436   1HB   TYR  59           HB1      TYR  59  -4.427  -1.989  -2.616
  437   2HB   TYR  59           HB2      TYR  59  -4.710  -1.351  -4.257
  438    HD1  TYR  59           HD2      TYR  59  -2.146  -3.818  -2.863
  439    HD2  TYR  59           HD1      TYR  59  -5.275  -3.042  -5.713
  440    HE1  TYR  59           HE2      TYR  59  -1.786  -6.050  -3.881
  441    HE2  TYR  59           HE1      TYR  59  -4.913  -5.264  -6.715
  442    HH   TYR  59           HH       TYR  59  -2.373  -7.488  -5.472
  443    H    ARG  60           HN       ARG  60  -3.453   0.717  -5.207
  444    HA   ARG  60           HA       ARG  60  -2.060  -0.151  -7.456
  445   1HB   ARG  60           HB1      ARG  60  -3.473   2.507  -6.909
  446   2HB   ARG  60           HB2      ARG  60  -2.909   1.964  -8.523
  447   1HG   ARG  60           HG1      ARG  60  -4.395   0.000  -8.446
  448   2HG   ARG  60           HG2      ARG  60  -4.913   0.391  -6.777
  449   1HD   ARG  60           HD1      ARG  60  -6.057   2.463  -7.537
  450   2HD   ARG  60           HD2      ARG  60  -5.442   2.213  -9.220
  451    HE   ARG  60           HE       ARG  60  -6.776   0.221  -9.411
  452   1HH1  ARG  60          HH21      ARG  60  -8.384   0.271  -5.718
  453   2HH1  ARG  60          HH22      ARG  60  -7.336   1.577  -6.162
  454   1HH2  ARG  60          HH11      ARG  60  -8.910  -1.404  -7.268
  455   2HH2  ARG  60          HH12      ARG  60  -8.257  -1.347  -8.872
  456    H    LYS  61           HN       LYS  61  -1.391   2.341  -5.050
  457    HA   LYS  61           HA       LYS  61   0.655   3.590  -6.370
  458   1HB   LYS  61           HB1      LYS  61  -0.867   4.544  -4.618
  459   2HB   LYS  61           HB2      LYS  61  -0.136   3.459  -3.416
  460   1HG   LYS  61           HG1      LYS  61   0.720   5.570  -3.009
  461   2HG   LYS  61           HG2      LYS  61   2.083   4.703  -3.782
  462   1HD   LYS  61           HD1      LYS  61   0.194   6.599  -5.326
  463   2HD   LYS  61           HD2      LYS  61   1.600   7.195  -4.399
  464   1HE   LYS  61           HE1      LYS  61   3.152   5.753  -5.801
  465   2HE   LYS  61           HE2      LYS  61   1.748   5.271  -6.825
  466   1HZ   LYS  61           HZ1      LYS  61   2.697   8.028  -6.369
  467   2HZ   LYS  61           HZ2      LYS  61   2.973   7.072  -7.745
  468   3HZ   LYS  61           HZ3      LYS  61   1.393   7.557  -7.350
  469    H    CYS  62           HN       CYS  62   0.722   1.134  -3.855
  470    HA   CYS  62           HA       CYS  62   3.462   0.954  -3.642
  471   1HB   CYS  62           HB1      CYS  62   3.186  -0.883  -2.184
  472   2HB   CYS  62           HB2      CYS  62   1.844   0.221  -1.912
  473    HG1  CYS  62           HG1      CYS  62   1.759  -2.546  -3.716
  474    H    LEU  63           HN       LEU  63   1.228  -0.710  -5.826
  475    HA   LEU  63           HA       LEU  63   3.065  -2.485  -6.923
  476   1HB   LEU  63           HB1      LEU  63   0.412  -1.356  -7.928
  477   2HB   LEU  63           HB2      LEU  63   1.363  -2.475  -8.947
  478    HG   LEU  63           HG       LEU  63   0.456  -3.181  -6.100
  479   1HD1  LEU  63          HD11      LEU  63  -1.367  -4.502  -7.124
  480   2HD1  LEU  63          HD12      LEU  63  -1.539  -2.761  -7.546
  481   3HD1  LEU  63          HD13      LEU  63  -0.905  -3.924  -8.767
  482   1HD2  LEU  63          HD21      LEU  63   0.886  -5.551  -6.896
  483   2HD2  LEU  63          HD22      LEU  63   1.598  -4.885  -8.406
  484   3HD2  LEU  63          HD23      LEU  63   2.371  -4.541  -6.813
  485    H    GLN  64           HN       GLN  64   2.209   0.889  -7.779
  486    HA   GLN  64           HA       GLN  64   3.723   1.017 -10.096
  487   1HB   GLN  64           HB1      GLN  64   2.678   3.157  -8.199
  488   2HB   GLN  64           HB2      GLN  64   3.630   3.587  -9.655
  489   1HG   GLN  64           HG1      GLN  64   1.994   2.600 -11.170
  490   2HG   GLN  64           HG2      GLN  64   1.046   1.900  -9.828
  491   1HE2  GLN  64          HE21      GLN  64  -0.091   3.407  -8.338
  492   2HE2  GLN  64          HE22      GLN  64  -0.552   4.987  -8.874
  493    H    ALA  65           HN       ALA  65   4.557   1.244  -6.755
  494    HA   ALA  65           HA       ALA  65   7.026   2.489  -6.950
  495   1HB   ALA  65           HB1      ALA  65   7.339   2.061  -4.658
  496   2HB   ALA  65           HB2      ALA  65   5.557   2.141  -4.822
  497   3HB   ALA  65           HB3      ALA  65   6.371   0.537  -4.694
  498    H    GLY  66           HN       GLY  66   5.997  -0.835  -7.161
  499   1HA   GLY  66           HA1      GLY  66   7.244  -2.113  -8.791
  500   2HA   GLY  66           HA2      GLY  66   8.731  -1.735  -7.843
  501    H    MET  67           HN       MET  67   5.766  -2.268  -6.041
  502    HA   MET  67           HA       MET  67   6.934  -4.325  -4.610
  503   1HB   MET  67           HB1      MET  67   4.045  -3.392  -4.670
  504   2HB   MET  67           HB2      MET  67   4.594  -4.694  -3.582
  505   1HG   MET  67           HG1      MET  67   5.913  -1.915  -3.560
  506   2HG   MET  67           HG2      MET  67   4.444  -2.307  -2.642
  507   1HE   MET  67           HE1      MET  67   4.205  -3.346  -0.495
  508   2HE   MET  67           HE2      MET  67   5.428  -4.294   0.408
  509   3HE   MET  67           HE3      MET  67   4.621  -5.018  -1.029
  510    H    ASN  68           HN       ASN  68   6.227  -6.606  -4.325
  511    HA   ASN  68           HA       ASN  68   4.447  -7.849  -6.079
  512   1HB   ASN  68           HB1      ASN  68   6.826  -7.442  -7.485
  513   2HB   ASN  68           HB2      ASN  68   7.326  -8.861  -6.585
  514   1HD2  ASN  68          HD21      ASN  68   4.258 -10.651  -8.228
  515   2HD2  ASN  68          HD22      ASN  68   4.354  -9.895  -6.665
  516    H    LEU  69           HN       LEU  69   3.839  -9.567  -4.819
  517    HA   LEU  69           HA       LEU  69   5.398 -10.077  -2.427
  518   1HB   LEU  69           HB1      LEU  69   3.408  -9.308  -1.824
  519   2HB   LEU  69           HB2      LEU  69   2.503 -10.126  -3.141
  520    HG   LEU  69           HG       LEU  69   1.993 -10.711  -0.770
  521   1HD1  LEU  69          HD11      LEU  69   1.601 -13.109  -1.052
  522   2HD1  LEU  69          HD12      LEU  69   1.111 -12.122  -2.460
  523   3HD1  LEU  69          HD13      LEU  69   2.584 -13.130  -2.552
  524   1HD2  LEU  69          HD21      LEU  69   3.877 -10.812   0.459
  525   2HD2  LEU  69          HD22      LEU  69   3.522 -12.571   0.290
  526   3HD2  LEU  69          HD23      LEU  69   4.823 -11.825  -0.694
  527    H    GLU  70           HN       GLU  70   6.364 -10.903  -4.871
  528    HA   GLU  70           HA       GLU  70   7.205 -13.506  -4.273
  529   1HB   GLU  70           HB1      GLU  70   5.968 -12.896  -7.032
  530   2HB   GLU  70           HB2      GLU  70   6.907 -14.374  -6.609
  531   1HG   GLU  70           HG1      GLU  70   5.071 -15.014  -4.961
  532   2HG   GLU  70           HG2      GLU  70   4.111 -13.592  -5.502
  533    H    ALA  71           HN       ALA  71   8.304 -11.227  -3.803
  534    HA   ALA  71           HA       ALA  71  10.069 -10.454  -6.034
  535   1HB   ALA  71           HB1      ALA  71  10.438  -8.319  -4.655
  536   2HB   ALA  71           HB2      ALA  71   8.758  -8.551  -5.206
  537   3HB   ALA  71           HB3      ALA  71   9.205  -8.942  -3.501
  538    H    ARG  72           HN       ARG  72  12.193  -9.467  -4.965
  539    HA   ARG  72           HA       ARG  72  13.334 -11.441  -3.111
  540   1HB   ARG  72           HB1      ARG  72  14.249 -11.522  -5.454
  541   2HB   ARG  72           HB2      ARG  72  14.669  -9.798  -5.343
  542   1HG   ARG  72           HG1      ARG  72  16.670 -11.167  -5.016
  543   2HG   ARG  72           HG2      ARG  72  16.307 -10.282  -3.515
  544   1HD   ARG  72           HD1      ARG  72  17.020 -12.588  -2.955
  545   2HD   ARG  72           HD2      ARG  72  15.287 -12.382  -2.515
  546    HE   ARG  72           HE       ARG  72  14.647 -13.642  -4.476
  547   1HH1  ARG  72          HH21      ARG  72  18.347 -14.269  -5.940
  548   2HH1  ARG  72          HH22      ARG  72  18.195 -13.350  -4.479
  549   1HH2  ARG  72          HH11      ARG  72  14.891 -15.020  -6.227
  550   2HH2  ARG  72          HH12      ARG  72  16.457 -15.223  -6.939
   
  No H/Q in entry =         550
  Start of MODEL   12
    1   1H    LEU   1           HT1      LEU   1  12.341   5.416   3.172
    2   2H    LEU   1           HT2      LEU   1  12.438   6.202   4.675
    3   3H    LEU   1           HT3      LEU   1  11.909   4.590   4.592
    4    HA   LEU   1           HA       LEU   1  10.093   6.015   4.945
    5   1HB   LEU   1           HB1      LEU   1  10.881   7.306   2.246
    6   2HB   LEU   1           HB2      LEU   1   9.358   7.616   3.122
    7    HG   LEU   1           HG       LEU   1  10.693   9.476   3.466
    8   1HD1  LEU   1          HD11      LEU   1  10.995   7.878   6.082
    9   2HD1  LEU   1          HD12      LEU   1  10.951   9.668   5.895
   10   3HD1  LEU   1          HD13      LEU   1   9.486   8.693   5.513
   11   1HD2  LEU   1          HD21      LEU   1  12.919   8.525   2.828
   12   2HD2  LEU   1          HD22      LEU   1  12.980   9.604   4.266
   13   3HD2  LEU   1          HD23      LEU   1  13.085   7.824   4.483
   14    H    CYS   2           HN       CYS   2   8.091   5.156   4.339
   15    HA   CYS   2           HA       CYS   2   7.821   2.959   2.701
   16   1HB   CYS   2           HB1      CYS   2   6.443   3.358   4.754
   17   2HB   CYS   2           HB2      CYS   2   5.731   4.837   3.955
   18    H    LEU   3           HN       LEU   3   7.194   2.890   0.481
   19    HA   LEU   3           HA       LEU   3   7.159   5.530  -0.693
   20   1HB   LEU   3           HB1      LEU   3   7.767   2.761  -1.734
   21   2HB   LEU   3           HB2      LEU   3   7.688   4.156  -2.869
   22    HG   LEU   3           HG       LEU   3   9.555   4.037  -0.452
   23   1HD1  LEU   3          HD11      LEU   3  11.426   3.631  -2.094
   24   2HD1  LEU   3          HD12      LEU   3  10.246   2.280  -2.051
   25   3HD1  LEU   3          HD13      LEU   3  10.216   3.453  -3.417
   26   1HD2  LEU   3          HD21      LEU   3  10.751   5.950  -1.550
   27   2HD2  LEU   3          HD22      LEU   3   9.500   5.987  -2.845
   28   3HD2  LEU   3          HD23      LEU   3   9.056   6.367  -1.141
   29    H    VAL   4           HN       VAL   4   4.966   3.885   0.500
   30    HA   VAL   4           HA       VAL   4   3.050   3.933  -1.729
   31    HB   VAL   4           HB       VAL   4   2.821   2.204   0.764
   32   1HG1  VAL   4          HG21      VAL   4   1.219   2.097  -1.833
   33   2HG1  VAL   4          HG22      VAL   4   1.024   1.051  -0.360
   34   3HG1  VAL   4          HG23      VAL   4   0.670   2.808  -0.269
   35   1HG2  VAL   4          HG11      VAL   4   3.946   1.472  -1.971
   36   2HG2  VAL   4          HG12      VAL   4   4.785   1.490  -0.384
   37   3HG2  VAL   4          HG13      VAL   4   3.480   0.283  -0.675
   38    H    CYS   5           HN       CYS   5   3.138   4.160   1.837
   39    HA   CYS   5           HA       CYS   5   0.981   6.187   1.566
   40   1HB   CYS   5           HB1      CYS   5   0.068   5.762   3.648
   41   2HB   CYS   5           HB2      CYS   5   0.173   4.250   2.756
   42    H    SER   6           HN       SER   6   3.994   6.204   1.375
   43    HA   SER   6           HA       SER   6   5.697   7.541   1.966
   44   1HB   SER   6           HB1      SER   6   3.714   9.734   1.627
   45   2HB   SER   6           HB2      SER   6   5.435   9.693   1.060
   46    HG   SER   6           HG1      SER   6   4.686   8.016  -0.353
   47    H    ASP   7           HN       ASP   7   5.502   6.598   4.194
   48    HA   ASP   7           HA       ASP   7   5.514   8.762   6.217
   49   1HB   ASP   7           HB1      ASP   7   3.432   7.177   6.115
   50   2HB   ASP   7           HB2      ASP   7   4.506   5.824   6.409
   51    H    GLU   8           HN       GLU   8   6.858   7.568   8.217
   52    HA   GLU   8           HA       GLU   8   9.344   6.871   7.197
   53   1HB   GLU   8           HB1      GLU   8   9.006   6.141  10.045
   54   2HB   GLU   8           HB2      GLU   8  10.194   7.192   9.228
   55   1HG   GLU   8           HG1      GLU   8   8.391   9.034   9.148
   56   2HG   GLU   8           HG2      GLU   8   7.290   7.931  10.047
   57    H    ALA   9           HN       ALA   9  10.155   4.906   6.496
   58    HA   ALA   9           HA       ALA   9   8.477   2.597   6.823
   59   1HB   ALA   9           HB1      ALA   9  10.451   1.500   5.374
   60   2HB   ALA   9           HB2      ALA   9   9.225   2.536   4.607
   61   3HB   ALA   9           HB3      ALA   9  10.856   3.206   5.058
   62    H    SER  10           HN       SER  10   9.292   0.510   7.492
   63    HA   SER  10           HA       SER  10  11.361   0.669   9.585
   64   1HB   SER  10           HB1      SER  10   8.813  -1.064   9.520
   65   2HB   SER  10           HB2      SER  10  10.060  -1.053  10.823
   66    HG   SER  10           HG1      SER  10   9.567   1.157  11.111
   67    H    GLY  11           HN       GLY  11  11.853   0.172   6.762
   68   1HA   GLY  11           HA1      GLY  11  13.498  -1.187   5.962
   69   2HA   GLY  11           HA2      GLY  11  12.879  -2.585   6.918
   70    H    CYS  12           HN       CYS  12  13.445  -2.539   4.054
   71    HA   CYS  12           HA       CYS  12  10.970  -2.314   2.651
   72   1HB   CYS  12           HB1      CYS  12  12.279  -3.166   0.683
   73   2HB   CYS  12           HB2      CYS  12  12.994  -1.736   1.455
   74    HG1  CYS  12           HG1      CYS  12  13.886  -4.893   1.945
   75    H    HIS  13           HN       HIS  13   9.979  -4.163   1.334
   76    HA   HIS  13           HA       HIS  13  10.629  -6.799   2.125
   77   1HB   HIS  13           HB1      HIS  13   8.272  -5.430   3.509
   78   2HB   HIS  13           HB2      HIS  13   8.017  -7.097   2.906
   79    HD2  HIS  13           HD2      HIS  13   9.397  -5.457   6.070
   80    HE1  HIS  13           HE1      HIS  13  10.816  -9.443   5.953
   81    HE2  HIS  13           HE2      HIS  13  10.526  -7.350   7.391
   82    H    TYR  14           HN       TYR  14   9.919  -8.123   0.607
   83    HA   TYR  14           HA       TYR  14   8.959  -8.910  -1.139
   84   1HB   TYR  14           HB1      TYR  14   6.952  -6.595  -1.312
   85   2HB   TYR  14           HB2      TYR  14   6.758  -8.119  -2.063
   86    HD1  TYR  14           HD1      TYR  14   7.580 -10.237  -0.175
   87    HD2  TYR  14           HD2      TYR  14   5.269  -6.712   0.491
   88    HE1  TYR  14           HE1      TYR  14   6.924 -11.109   2.009
   89    HE2  TYR  14           HE2      TYR  14   4.559  -7.594   2.636
   90    HH   TYR  14           HH       TYR  14   5.721 -10.755   3.875
   91    H    GLY  15           HN       GLY  15   8.279  -6.124  -2.970
   92   1HA   GLY  15           HA1      GLY  15  10.962  -6.392  -4.174
   93   2HA   GLY  15           HA2      GLY  15   9.455  -5.756  -4.893
   94    H    VAL  16           HN       VAL  16   9.136  -4.054  -2.164
   95    HA   VAL  16           HA       VAL  16  11.081  -1.984  -2.966
   96    HB   VAL  16           HB       VAL  16   8.081  -1.563  -2.683
   97   1HG1  VAL  16          HG21      VAL  16  10.239   0.319  -3.740
   98   2HG1  VAL  16          HG22      VAL  16   8.480   0.502  -4.084
   99   3HG1  VAL  16          HG23      VAL  16   9.042   0.566  -2.388
  100   1HG2  VAL  16          HG11      VAL  16   9.606  -1.751  -5.368
  101   2HG2  VAL  16          HG12      VAL  16   8.457  -2.976  -4.724
  102   3HG2  VAL  16          HG13      VAL  16   7.863  -1.342  -5.134
  103    H    LEU  17           HN       LEU  17  11.081  -0.192  -1.558
  104    HA   LEU  17           HA       LEU  17  11.090  -0.803   1.175
  105   1HB   LEU  17           HB1      LEU  17  12.696   0.777   0.094
  106   2HB   LEU  17           HB2      LEU  17  11.366   1.930  -0.174
  107    HG   LEU  17           HG       LEU  17  11.053   2.174   2.286
  108   1HD1  LEU  17          HD11      LEU  17  12.736   1.271   3.905
  109   2HD1  LEU  17          HD12      LEU  17  11.735  -0.005   3.138
  110   3HD1  LEU  17          HD13      LEU  17  13.438   0.253   2.594
  111   1HD2  LEU  17          HD21      LEU  17  13.154   3.437   2.751
  112   2HD2  LEU  17          HD22      LEU  17  13.968   2.618   1.370
  113   3HD2  LEU  17          HD23      LEU  17  12.578   3.721   1.068
  114    H    THR  18           HN       THR  18   9.488  -0.718   2.644
  115    HA   THR  18           HA       THR  18   7.229   1.076   2.275
  116    HB   THR  18           HB       THR  18   5.848  -1.226   3.111
  117    HG1  THR  18           HG1      THR  18   6.645  -3.020   2.091
  118   1HG2  THR  18          HG21      THR  18   5.104  -1.776   0.925
  119   2HG2  THR  18          HG22      THR  18   5.227   0.016   1.101
  120   3HG2  THR  18          HG23      THR  18   6.484  -0.887   0.146
  121    H    CYS  19           HN       CYS  19   5.723   0.671   4.215
  122    HA   CYS  19           HA       CYS  19   7.433   1.032   6.481
  123   1HB   CYS  19           HB1      CYS  19   5.605   1.716   7.833
  124   2HB   CYS  19           HB2      CYS  19   5.780   2.669   6.431
  125    H    GLY  20           HN       GLY  20   5.572  -0.028   8.500
  126   1HA   GLY  20           HA1      GLY  20   6.377  -2.824   8.452
  127   2HA   GLY  20           HA2      GLY  20   5.562  -1.883   9.757
  128    H    SER  21           HN       SER  21   3.441  -0.806   8.438
  129    HA   SER  21           HA       SER  21   1.625  -2.938   8.421
  130   1HB   SER  21           HB1      SER  21   1.140   0.004   7.647
  131   2HB   SER  21           HB2      SER  21  -0.126  -1.200   8.085
  132    HG   SER  21           HG1      SER  21   1.002  -1.406  10.099
  133    H    CYS  22           HN       CYS  22   2.967  -1.047   5.635
  134    HA   CYS  22           HA       CYS  22   1.067  -1.883   3.785
  135   1HB   CYS  22           HB1      CYS  22   3.794  -0.660   3.367
  136   2HB   CYS  22           HB2      CYS  22   2.755  -1.166   1.995
  137    H    LYS  23           HN       LYS  23   3.833  -3.424   5.017
  138    HA   LYS  23           HA       LYS  23   4.321  -5.343   3.127
  139   1HB   LYS  23           HB1      LYS  23   5.889  -4.813   4.980
  140   2HB   LYS  23           HB2      LYS  23   4.669  -5.324   6.165
  141   1HG   LYS  23           HG1      LYS  23   4.856  -7.707   5.037
  142   2HG   LYS  23           HG2      LYS  23   6.367  -7.079   4.318
  143   1HD   LYS  23           HD1      LYS  23   7.262  -6.651   6.621
  144   2HD   LYS  23           HD2      LYS  23   5.677  -7.085   7.333
  145   1HE   LYS  23           HE1      LYS  23   5.890  -9.440   6.458
  146   2HE   LYS  23           HE2      LYS  23   7.515  -9.040   5.777
  147   1HZ   LYS  23           HZ1      LYS  23   8.250  -8.530   7.986
  148   2HZ   LYS  23           HZ2      LYS  23   6.715  -8.885   8.622
  149   3HZ   LYS  23           HZ3      LYS  23   7.634 -10.110   7.891
  150    H    VAL  24           HN       VAL  24   2.621  -5.630   6.175
  151    HA   VAL  24           HA       VAL  24   1.528  -8.126   5.855
  152    HB   VAL  24           HB       VAL  24   0.517  -5.803   7.632
  153   1HG1  VAL  24          HG21      VAL  24   0.306  -8.831   8.162
  154   2HG1  VAL  24          HG22      VAL  24  -0.163  -7.507   9.305
  155   3HG1  VAL  24          HG23      VAL  24  -1.044  -7.702   7.751
  156   1HG2  VAL  24          HG11      VAL  24   2.820  -7.739   8.270
  157   2HG2  VAL  24          HG12      VAL  24   2.919  -5.957   7.981
  158   3HG2  VAL  24          HG13      VAL  24   2.065  -6.570   9.423
  159    H    PHE  25           HN       PHE  25   0.229  -5.021   5.165
  160    HA   PHE  25           HA       PHE  25  -2.419  -5.503   4.646
  161   1HB   PHE  25           HB1      PHE  25  -1.398  -3.250   4.901
  162   2HB   PHE  25           HB2      PHE  25  -0.310  -3.535   3.541
  163    HD1  PHE  25           HD2      PHE  25  -4.111  -3.527   4.129
  164    HD2  PHE  25           HD1      PHE  25  -0.766  -2.521   1.611
  165    HE1  PHE  25           HE2      PHE  25  -5.652  -2.596   2.427
  166    HE2  PHE  25           HE1      PHE  25  -2.267  -1.615  -0.055
  167    HZ   PHE  25           HZ       PHE  25  -4.740  -1.674   0.300
  168    H    PHE  26           HN       PHE  26   0.315  -5.199   2.462
  169    HA   PHE  26           HA       PHE  26  -0.907  -5.922   0.118
  170   1HB   PHE  26           HB1      PHE  26   1.170  -4.554   0.230
  171   2HB   PHE  26           HB2      PHE  26   2.063  -5.955   0.883
  172    HD1  PHE  26           HD2      PHE  26  -0.230  -5.394  -2.142
  173    HD2  PHE  26           HD1      PHE  26   3.509  -6.837  -0.622
  174    HE1  PHE  26           HE2      PHE  26   0.445  -6.053  -4.419
  175    HE2  PHE  26           HE1      PHE  26   4.211  -7.453  -2.886
  176    HZ   PHE  26           HZ       PHE  26   2.670  -7.177  -4.788
  177    H    LYS  27           HN       LYS  27   0.870  -7.899   2.389
  178    HA   LYS  27           HA       LYS  27   1.025 -10.203   0.798
  179   1HB   LYS  27           HB1      LYS  27   2.637  -9.935   2.548
  180   2HB   LYS  27           HB2      LYS  27   1.347  -9.869   3.803
  181   1HG   LYS  27           HG1      LYS  27   0.809 -12.330   3.241
  182   2HG   LYS  27           HG2      LYS  27   2.169 -12.308   2.081
  183   1HD   LYS  27           HD1      LYS  27   2.873 -13.381   4.142
  184   2HD   LYS  27           HD2      LYS  27   3.749 -11.835   3.991
  185   1HE   LYS  27           HE1      LYS  27   2.100 -10.781   5.658
  186   2HE   LYS  27           HE2      LYS  27   1.289 -12.389   5.807
  187   1HZ   LYS  27           HZ1      LYS  27   4.103 -11.746   6.457
  188   2HZ   LYS  27           HZ2      LYS  27   2.830 -12.032   7.547
  189   3HZ   LYS  27           HZ3      LYS  27   3.391 -13.287   6.547
  190    H    ARG  28           HN       ARG  28  -1.506  -9.120   3.059
  191    HA   ARG  28           HA       ARG  28  -3.001 -11.570   2.571
  192   1HB   ARG  28           HB1      ARG  28  -3.373  -9.253   4.502
  193   2HB   ARG  28           HB2      ARG  28  -4.761 -10.294   4.069
  194   1HG   ARG  28           HG1      ARG  28  -4.022 -11.386   5.954
  195   2HG   ARG  28           HG2      ARG  28  -3.305 -12.342   4.647
  196   1HD   ARG  28           HD1      ARG  28  -1.489 -12.201   6.151
  197   2HD   ARG  28           HD2      ARG  28  -1.116 -10.833   5.047
  198    HE   ARG  28           HE       ARG  28  -2.005  -9.293   6.696
  199   1HH1  ARG  28          HH21      ARG  28  -3.091 -12.048   9.431
  200   2HH1  ARG  28          HH22      ARG  28  -2.402 -12.606   7.941
  201   1HH2  ARG  28          HH11      ARG  28  -3.248  -9.762   9.880
  202   2HH2  ARG  28          HH12      ARG  28  -2.676  -8.598   8.730
  203    H    ALA  29           HN       ALA  29  -2.833  -8.324   1.406
  204    HA   ALA  29           HA       ALA  29  -5.396  -8.200   0.228
  205   1HB   ALA  29           HB1      ALA  29  -4.555  -6.211  -1.007
  206   2HB   ALA  29           HB2      ALA  29  -4.190  -6.128   0.736
  207   3HB   ALA  29           HB3      ALA  29  -2.882  -6.586  -0.411
  208    H    VAL  30           HN       VAL  30  -2.361  -9.550  -0.800
  209    HA   VAL  30           HA       VAL  30  -3.095  -9.829  -3.565
  210    HB   VAL  30           HB       VAL  30  -0.670 -10.652  -1.901
  211   1HG1  VAL  30          HG21      VAL  30  -1.045 -10.908  -4.941
  212   2HG1  VAL  30          HG22      VAL  30   0.505 -11.201  -4.038
  213   3HG1  VAL  30          HG23      VAL  30  -0.921 -12.278  -3.762
  214   1HG2  VAL  30          HG11      VAL  30  -0.577  -8.606  -4.179
  215   2HG2  VAL  30          HG12      VAL  30  -1.051  -8.112  -2.527
  216   3HG2  VAL  30          HG13      VAL  30   0.550  -8.867  -2.787
  217    H    GLU  31           HN       GLU  31  -2.166 -11.915  -0.877
  218    HA   GLU  31           HA       GLU  31  -3.529 -14.218  -2.092
  219   1HB   GLU  31           HB1      GLU  31  -1.541 -14.153   0.234
  220   2HB   GLU  31           HB2      GLU  31  -2.367 -15.610  -0.417
  221   1HG   GLU  31           HG1      GLU  31  -1.298 -15.054  -2.720
  222   2HG   GLU  31           HG2      GLU  31  -0.325 -13.804  -1.879
  223    H    GLY  32           HN       GLY  32  -5.347 -12.643  -1.554
  224   1HA   GLY  32           HA1      GLY  32  -7.115 -13.855   0.084
  225   2HA   GLY  32           HA2      GLY  32  -6.357 -12.574   1.124
  226    H    GLN  33           HN       GLN  33  -8.781 -11.885   1.019
  227    HA   GLN  33           HA       GLN  33  -9.289 -10.196  -1.306
  228   1HB   GLN  33           HB1      GLN  33 -10.920 -12.069  -0.898
  229   2HB   GLN  33           HB2      GLN  33 -11.065 -11.575   0.800
  230   1HG   GLN  33           HG1      GLN  33 -13.045 -10.842  -0.328
  231   2HG   GLN  33           HG2      GLN  33 -12.096  -9.383   0.082
  232   1HE2  GLN  33          HE21      GLN  33 -11.758  -7.928  -1.614
  233   2HE2  GLN  33          HE22      GLN  33 -11.954  -8.272  -3.301
  234    H    HIS  34           HN       HIS  34  -9.423  -8.050  -0.908
  235    HA   HIS  34           HA       HIS  34  -9.658  -7.026   1.826
  236   1HB   HIS  34           HB1      HIS  34  -7.457  -6.463  -0.194
  237   2HB   HIS  34           HB2      HIS  34  -8.087  -5.082   0.762
  238    HD2  HIS  34           HD2      HIS  34  -6.787  -8.765   1.807
  239    HE1  HIS  34           HE1      HIS  34  -5.240  -5.802   4.404
  240    HE2  HIS  34           HE2      HIS  34  -5.310  -8.299   3.862
  241    H    ASN  35           HN       ASN  35 -11.053  -5.240   1.847
  242    HA   ASN  35           HA       ASN  35 -12.602  -4.871  -0.581
  243   1HB   ASN  35           HB1      ASN  35 -13.687  -5.453   1.631
  244   2HB   ASN  35           HB2      ASN  35 -13.129  -3.900   2.298
  245   1HD2  ASN  35          HD21      ASN  35 -15.959  -2.146   1.058
  246   2HD2  ASN  35          HD22      ASN  35 -14.603  -2.217   2.133
  247    H    TYR  36           HN       TYR  36 -11.804  -3.327  -1.978
  248    HA   TYR  36           HA       TYR  36 -11.320  -0.680  -1.022
  249   1HB   TYR  36           HB1      TYR  36  -9.483  -1.012  -3.132
  250   2HB   TYR  36           HB2      TYR  36  -9.090  -0.937  -1.372
  251    HD1  TYR  36           HD2      TYR  36 -10.243  -3.591  -3.849
  252    HD2  TYR  36           HD1      TYR  36  -7.419  -2.410  -0.819
  253    HE1  TYR  36           HE2      TYR  36  -8.989  -5.676  -4.200
  254    HE2  TYR  36           HE1      TYR  36  -6.151  -4.473  -1.196
  255    HH   TYR  36           HH       TYR  36  -7.207  -6.905  -3.630
  256    H    LEU  37           HN       LEU  37 -11.727   0.796  -2.837
  257    HA   LEU  37           HA       LEU  37 -12.626  -0.184  -5.327
  258   1HB   LEU  37           HB1      LEU  37 -14.700  -0.660  -4.011
  259   2HB   LEU  37           HB2      LEU  37 -14.723   1.035  -3.444
  260    HG   LEU  37           HG       LEU  37 -15.157   1.826  -5.760
  261   1HD1  LEU  37          HD11      LEU  37 -15.697   0.211  -7.607
  262   2HD1  LEU  37          HD12      LEU  37 -13.971   0.114  -7.103
  263   3HD1  LEU  37          HD13      LEU  37 -15.137  -1.154  -6.568
  264   1HD2  LEU  37          HD21      LEU  37 -17.475   0.959  -5.992
  265   2HD2  LEU  37          HD22      LEU  37 -17.086  -0.413  -4.891
  266   3HD2  LEU  37          HD23      LEU  37 -17.067   1.276  -4.265
  267    H    CYS  38           HN       CYS  38 -11.593   1.237  -6.497
  268    HA   CYS  38           HA       CYS  38 -12.180   3.922  -6.518
  269   1HB   CYS  38           HB1      CYS  38 -10.424   3.613  -4.494
  270   2HB   CYS  38           HB2      CYS  38  -9.197   3.499  -5.764
  271    H    ALA  39           HN       ALA  39 -12.390   1.857  -8.023
  272    HA   ALA  39           HA       ALA  39 -10.400   1.878 -10.128
  273   1HB   ALA  39           HB1      ALA  39 -11.695  -0.076 -11.051
  274   2HB   ALA  39           HB2      ALA  39 -11.230  -0.340  -9.334
  275   3HB   ALA  39           HB3      ALA  39 -12.915   0.152  -9.735
  276    H    GLY  40           HN       GLY  40 -13.329   3.307  -9.208
  277   1HA   GLY  40           HA1      GLY  40 -14.038   4.113 -11.965
  278   2HA   GLY  40           HA2      GLY  40 -15.164   3.883 -10.577
  279    H    ARG  41           HN       ARG  41 -12.362   5.243  -9.262
  280    HA   ARG  41           HA       ARG  41 -13.214   8.000  -9.770
  281   1HB   ARG  41           HB1      ARG  41 -12.314   6.684  -7.160
  282   2HB   ARG  41           HB2      ARG  41 -12.306   8.459  -7.439
  283   1HG   ARG  41           HG1      ARG  41 -14.802   6.639  -7.483
  284   2HG   ARG  41           HG2      ARG  41 -14.223   7.607  -6.094
  285   1HD   ARG  41           HD1      ARG  41 -14.480   9.728  -7.530
  286   2HD   ARG  41           HD2      ARG  41 -15.270   8.695  -8.797
  287    HE   ARG  41           HE       ARG  41 -16.235   8.810  -5.943
  288   1HH1  ARG  41          HH21      ARG  41 -18.242  10.837  -8.781
  289   2HH1  ARG  41          HH22      ARG  41 -16.859   9.915  -9.272
  290   1HH2  ARG  41          HH11      ARG  41 -18.968  10.789  -6.555
  291   2HH2  ARG  41          HH12      ARG  41 -18.128   9.830  -5.381
  292    H    ASN  42           HN       ASN  42 -10.627   6.655  -7.903
  293    HA   ASN  42           HA       ASN  42  -8.485   6.648  -7.929
  294   1HB   ASN  42           HB1      ASN  42  -8.515   5.320 -10.012
  295   2HB   ASN  42           HB2      ASN  42  -8.569   6.812 -10.999
  296   1HD2  ASN  42          HD21      ASN  42  -5.025   7.069 -11.089
  297   2HD2  ASN  42          HD22      ASN  42  -6.565   7.495 -11.760
  298    H    ASP  43           HN       ASP  43  -9.309   8.663  -6.836
  299    HA   ASP  43           HA       ASP  43  -8.326  11.118  -8.136
  300   1HB   ASP  43           HB1      ASP  43  -9.708  12.194  -6.071
  301   2HB   ASP  43           HB2      ASP  43 -10.367  11.857  -7.704
  302    H    CYS  44           HN       CYS  44  -8.747   9.655  -4.831
  303    HA   CYS  44           HA       CYS  44  -7.247  11.438  -3.628
  304   1HB   CYS  44           HB1      CYS  44  -7.065   9.259  -1.841
  305   2HB   CYS  44           HB2      CYS  44  -8.385  10.422  -1.993
  306    H    ILE  45           HN       ILE  45  -5.165  11.473  -2.605
  307    HA   ILE  45           HA       ILE  45  -3.091   9.797  -3.844
  308    HB   ILE  45           HB       ILE  45  -3.076  12.556  -2.514
  309   1HG1  ILE  45          HG11      ILE  45  -1.960  13.386  -4.468
  310   2HG1  ILE  45          HG12      ILE  45  -1.667  11.744  -5.117
  311   1HG2  ILE  45          HG21      ILE  45  -0.569  12.607  -2.582
  312   2HG2  ILE  45          HG22      ILE  45  -1.165  11.373  -1.426
  313   3HG2  ILE  45          HG23      ILE  45  -0.540  10.864  -3.033
  314   1HD1  ILE  45           HD1      ILE  45  -3.470  13.008  -6.344
  315   2HD1  ILE  45           HD2      ILE  45  -4.032  11.447  -5.662
  316   3HD1  ILE  45           HD3      ILE  45  -4.473  13.003  -4.844
  317    H    ILE  46           HN       ILE  46  -2.124   8.354  -2.497
  318    HA   ILE  46           HA       ILE  46  -3.160   8.199   0.243
  319    HB   ILE  46           HB       ILE  46  -2.684   6.258  -1.859
  320   1HG1  ILE  46          HG11      ILE  46  -4.196   4.884  -0.641
  321   2HG1  ILE  46          HG12      ILE  46  -3.941   5.777   0.899
  322   1HG2  ILE  46          HG21      ILE  46  -1.928   4.352  -0.498
  323   2HG2  ILE  46          HG22      ILE  46  -0.620   5.510  -0.914
  324   3HG2  ILE  46          HG23      ILE  46  -1.270   5.475   0.770
  325   1HD1  ILE  46           HD1      ILE  46  -6.109   6.152  -0.447
  326   2HD1  ILE  46           HD2      ILE  46  -5.249   7.657   0.074
  327   3HD1  ILE  46           HD3      ILE  46  -5.109   7.066  -1.635
  328    H    ASP  47           HN       ASP  47  -2.069   8.819   1.814
  329    HA   ASP  47           HA       ASP  47   0.726   8.410   1.917
  330   1HB   ASP  47           HB1      ASP  47   1.479  10.605   2.485
  331   2HB   ASP  47           HB2      ASP  47   0.892  10.534   0.816
  332    H    LYS  48           HN       LYS  48   1.105   9.826   4.262
  333    HA   LYS  48           HA       LYS  48   0.195   8.049   6.123
  334   1HB   LYS  48           HB1      LYS  48   1.326   9.725   7.760
  335   2HB   LYS  48           HB2      LYS  48   2.286   8.935   6.496
  336   1HG   LYS  48           HG1      LYS  48   2.440  10.817   5.117
  337   2HG   LYS  48           HG2      LYS  48   1.111  11.704   5.929
  338   1HD   LYS  48           HD1      LYS  48   3.721  11.006   7.417
  339   2HD   LYS  48           HD2      LYS  48   3.615  12.401   6.311
  340   1HE   LYS  48           HE1      LYS  48   3.252  13.206   8.590
  341   2HE   LYS  48           HE2      LYS  48   1.715  13.378   7.662
  342   1HZ   LYS  48           HZ1      LYS  48   1.394  12.542   9.865
  343   2HZ   LYS  48           HZ2      LYS  48   0.921  11.394   8.703
  344   3HZ   LYS  48           HZ3      LYS  48   2.383  11.195   9.546
  345    H    ILE  49           HN       ILE  49  -1.723  10.488   4.966
  346    HA   ILE  49           HA       ILE  49  -3.250  10.697   7.485
  347    HB   ILE  49           HB       ILE  49  -2.710  12.769   5.314
  348   1HG1  ILE  49          HG11      ILE  49  -2.189  12.880   8.345
  349   2HG1  ILE  49          HG12      ILE  49  -0.964  12.549   7.086
  350   1HG2  ILE  49          HG21      ILE  49  -4.286  14.338   6.455
  351   2HG2  ILE  49          HG22      ILE  49  -5.114  12.873   5.830
  352   3HG2  ILE  49          HG23      ILE  49  -4.771  13.015   7.595
  353   1HD1  ILE  49           HD1      ILE  49  -1.378  14.830   6.076
  354   2HD1  ILE  49           HD2      ILE  49  -2.505  15.196   7.438
  355   3HD1  ILE  49           HD3      ILE  49  -0.767  14.878   7.770
  356    H    ARG  50           HN       ARG  50  -3.369  10.842   3.999
  357    HA   ARG  50           HA       ARG  50  -6.167  10.640   3.760
  358   1HB   ARG  50           HB1      ARG  50  -3.887  10.417   1.740
  359   2HB   ARG  50           HB2      ARG  50  -5.611  10.345   1.246
  360   1HG   ARG  50           HG1      ARG  50  -4.739  12.516   0.797
  361   2HG   ARG  50           HG2      ARG  50  -6.022  12.630   2.034
  362   1HD   ARG  50           HD1      ARG  50  -4.490  13.262   3.766
  363   2HD   ARG  50           HD2      ARG  50  -3.077  12.538   2.918
  364    HE   ARG  50           HE       ARG  50  -3.064  14.350   1.355
  365   1HH1  ARG  50          HH21      ARG  50  -6.272  16.332   2.759
  366   2HH1  ARG  50          HH22      ARG  50  -5.841  14.838   3.524
  367   1HH2  ARG  50          HH11      ARG  50  -4.924  17.228   1.063
  368   2HH2  ARG  50          HH12      ARG  50  -3.485  16.403   0.563
  369    H    ARG  51           HN       ARG  51  -4.011   8.218   4.489
  370    HA   ARG  51           HA       ARG  51  -4.918   6.183   2.790
  371   1HB   ARG  51           HB1      ARG  51  -3.707   4.568   3.923
  372   2HB   ARG  51           HB2      ARG  51  -2.721   6.035   3.874
  373   1HG   ARG  51           HG1      ARG  51  -4.247   4.909   6.316
  374   2HG   ARG  51           HG2      ARG  51  -2.492   4.832   6.007
  375   1HD   ARG  51           HD1      ARG  51  -2.348   7.355   6.177
  376   2HD   ARG  51           HD2      ARG  51  -4.118   7.421   6.526
  377    HE   ARG  51           HE       ARG  51  -3.771   6.230   8.574
  378   1HH1  ARG  51          HH21      ARG  51   0.205   5.686   8.251
  379   2HH1  ARG  51          HH22      ARG  51  -0.608   6.510   6.961
  380   1HH2  ARG  51          HH11      ARG  51  -0.964   5.053  10.174
  381   2HH2  ARG  51          HH12      ARG  51  -2.655   5.398  10.328
  382    H    LYS  52           HN       LYS  52  -6.431   7.453   5.637
  383    HA   LYS  52           HA       LYS  52  -7.913   5.113   6.243
  384   1HB   LYS  52           HB1      LYS  52  -8.889   6.412   8.068
  385   2HB   LYS  52           HB2      LYS  52  -7.110   6.483   8.032
  386   1HG   LYS  52           HG1      LYS  52  -7.606   8.657   8.559
  387   2HG   LYS  52           HG2      LYS  52  -7.398   8.793   6.790
  388   1HD   LYS  52           HD1      LYS  52  -9.902   8.823   6.498
  389   2HD   LYS  52           HD2      LYS  52 -10.109   8.522   8.246
  390   1HE   LYS  52           HE1      LYS  52 -10.513  10.909   7.723
  391   2HE   LYS  52           HE2      LYS  52  -9.053  10.752   8.769
  392   1HZ   LYS  52           HZ1      LYS  52  -9.060  11.080   5.828
  393   2HZ   LYS  52           HZ2      LYS  52  -8.769  12.297   6.977
  394   3HZ   LYS  52           HZ3      LYS  52  -7.694  10.988   6.835
  395    H    ASN  53           HN       ASN  53  -8.165   7.564   3.976
  396    HA   ASN  53           HA       ASN  53 -11.029   7.710   3.861
  397   1HB   ASN  53           HB1      ASN  53  -8.901   8.876   1.924
  398   2HB   ASN  53           HB2      ASN  53 -10.654   9.138   1.787
  399   1HD2  ASN  53          HD21      ASN  53  -8.684  11.843   3.862
  400   2HD2  ASN  53          HD22      ASN  53  -8.052  10.831   2.605
  401    H    CYS  54           HN       CYS  54  -8.312   5.944   2.395
  402    HA   CYS  54           HA       CYS  54 -10.143   4.302   0.891
  403   1HB   CYS  54           HB1      CYS  54  -9.987   6.260  -0.547
  404   2HB   CYS  54           HB2      CYS  54  -8.223   6.304  -0.409
  405    HA   PRO  55           HA       PRO  55  -6.260   1.897   1.444
  406   1HB   PRO  55           HB1      PRO  55  -7.362  -0.528   1.900
  407   2HB   PRO  55           HB2      PRO  55  -7.522   0.744   3.089
  408   1HG   PRO  55           HG1      PRO  55  -9.568  -0.085   1.018
  409   2HG   PRO  55           HG2      PRO  55  -9.814   0.177   2.740
  410   1HD   PRO  55           HD1      PRO  55 -10.283   2.112   0.779
  411   2HD   PRO  55           HD2      PRO  55  -9.901   2.511   2.461
  412    H    ALA  56           HN       ALA  56  -8.332   2.302  -1.225
  413    HA   ALA  56           HA       ALA  56  -7.724  -0.084  -2.654
  414   1HB   ALA  56           HB1      ALA  56  -9.149   0.835  -4.403
  415   2HB   ALA  56           HB2      ALA  56  -9.919   1.204  -2.810
  416   3HB   ALA  56           HB3      ALA  56  -9.013   2.482  -3.677
  417    H    CYS  57           HN       CYS  57  -6.963   3.414  -2.793
  418    HA   CYS  57           HA       CYS  57  -5.125   3.407  -4.794
  419   1HB   CYS  57           HB1      CYS  57  -5.627   5.123  -2.381
  420   2HB   CYS  57           HB2      CYS  57  -4.281   5.524  -3.459
  421    H    ARG  58           HN       ARG  58  -4.723   2.693  -1.401
  422    HA   ARG  58           HA       ARG  58  -2.008   2.581  -1.205
  423   1HB   ARG  58           HB1      ARG  58  -4.188   0.920   0.169
  424   2HB   ARG  58           HB2      ARG  58  -2.482   0.691   0.617
  425   1HG   ARG  58           HG1      ARG  58  -3.542   3.491   0.604
  426   2HG   ARG  58           HG2      ARG  58  -4.159   2.418   1.887
  427   1HD   ARG  58           HD1      ARG  58  -1.171   3.009   1.332
  428   2HD   ARG  58           HD2      ARG  58  -2.131   3.738   2.670
  429    HE   ARG  58           HE       ARG  58  -1.381   0.850   2.342
  430   1HH1  ARG  58          HH21      ARG  58  -3.607   1.850   5.529
  431   2HH1  ARG  58          HH22      ARG  58  -3.221   3.097   4.390
  432   1HH2  ARG  58          HH11      ARG  58  -2.712  -0.292   5.290
  433   2HH2  ARG  58          HH12      ARG  58  -1.654  -0.659   3.968
  434    H    TYR  59           HN       TYR  59  -4.299   0.118  -2.456
  435    HA   TYR  59           HA       TYR  59  -2.336  -1.962  -2.524
  436   1HB   TYR  59           HB1      TYR  59  -4.766  -2.390  -2.126
  437   2HB   TYR  59           HB2      TYR  59  -5.137  -1.818  -3.777
  438    HD1  TYR  59           HD2      TYR  59  -2.979  -4.410  -2.007
  439    HD2  TYR  59           HD1      TYR  59  -5.207  -3.368  -5.539
  440    HE1  TYR  59           HE2      TYR  59  -2.665  -6.717  -2.896
  441    HE2  TYR  59           HE1      TYR  59  -4.849  -5.639  -6.430
  442    HH   TYR  59           HH       TYR  59  -3.933  -7.656  -6.105
  443    H    ARG  60           HN       ARG  60  -3.872   0.317  -4.863
  444    HA   ARG  60           HA       ARG  60  -2.415  -0.716  -7.021
  445   1HB   ARG  60           HB1      ARG  60  -3.429   0.716  -8.473
  446   2HB   ARG  60           HB2      ARG  60  -4.636   0.330  -7.230
  447   1HG   ARG  60           HG1      ARG  60  -5.085   2.547  -7.257
  448   2HG   ARG  60           HG2      ARG  60  -3.688   2.668  -6.161
  449   1HD   ARG  60           HD1      ARG  60  -3.514   4.402  -7.889
  450   2HD   ARG  60           HD2      ARG  60  -2.192   3.188  -8.173
  451    HE   ARG  60           HE       ARG  60  -3.841   2.149  -9.849
  452   1HH1  ARG  60          HH21      ARG  60  -2.865   5.796 -11.222
  453   2HH1  ARG  60          HH22      ARG  60  -2.897   5.553  -9.507
  454   1HH2  ARG  60          HH11      ARG  60  -3.551   4.099 -12.674
  455   2HH2  ARG  60          HH12      ARG  60  -4.100   2.579 -12.050
  456    H    LYS  61           HN       LYS  61  -1.666   1.789  -4.673
  457    HA   LYS  61           HA       LYS  61   0.361   2.988  -6.117
  458   1HB   LYS  61           HB1      LYS  61  -0.899   4.164  -4.390
  459   2HB   LYS  61           HB2      LYS  61  -0.401   2.952  -3.175
  460   1HG   LYS  61           HG1      LYS  61   0.862   4.665  -2.582
  461   2HG   LYS  61           HG2      LYS  61   2.056   3.890  -3.650
  462   1HD   LYS  61           HD1      LYS  61   0.217   6.254  -4.475
  463   2HD   LYS  61           HD2      LYS  61   1.812   6.451  -3.709
  464   1HE   LYS  61           HE1      LYS  61   2.260   6.792  -6.003
  465   2HE   LYS  61           HE2      LYS  61   2.842   5.115  -5.702
  466   1HZ   LYS  61           HZ1      LYS  61   0.233   5.888  -6.877
  467   2HZ   LYS  61           HZ2      LYS  61   1.604   5.350  -7.724
  468   3HZ   LYS  61           HZ3      LYS  61   0.809   4.307  -6.646
  469    H    CYS  62           HN       CYS  62   0.433   0.530  -3.606
  470    HA   CYS  62           HA       CYS  62   3.164   0.252  -3.450
  471   1HB   CYS  62           HB1      CYS  62   2.809  -1.676  -2.081
  472   2HB   CYS  62           HB2      CYS  62   1.610  -0.461  -1.690
  473    HG1  CYS  62           HG1      CYS  62   1.215  -3.153  -3.574
  474    H    LEU  63           HN       LEU  63   0.849  -1.336  -5.595
  475    HA   LEU  63           HA       LEU  63   2.663  -3.060  -6.831
  476   1HB   LEU  63           HB1      LEU  63  -0.076  -1.949  -7.636
  477   2HB   LEU  63           HB2      LEU  63   0.810  -3.060  -8.723
  478    HG   LEU  63           HG       LEU  63   0.099  -3.781  -5.822
  479   1HD1  LEU  63          HD11      LEU  63  -1.777  -5.123  -6.740
  480   2HD1  LEU  63          HD12      LEU  63  -1.999  -3.370  -7.084
  481   3HD1  LEU  63          HD13      LEU  63  -1.453  -4.481  -8.394
  482   1HD2  LEU  63          HD21      LEU  63   0.495  -6.143  -6.648
  483   2HD2  LEU  63          HD22      LEU  63   1.054  -5.478  -8.221
  484   3HD2  LEU  63          HD23      LEU  63   1.974  -5.124  -6.712
  485    H    GLN  64           HN       GLN  64   1.575   0.249  -7.609
  486    HA   GLN  64           HA       GLN  64   2.933   0.523  -9.997
  487   1HB   GLN  64           HB1      GLN  64   1.798   2.488  -7.976
  488   2HB   GLN  64           HB2      GLN  64   2.693   3.119  -9.374
  489   1HG   GLN  64           HG1      GLN  64   0.314   1.185  -9.761
  490   2HG   GLN  64           HG2      GLN  64   0.067   2.939  -9.491
  491   1HE2  GLN  64          HE21      GLN  64   0.265   4.316 -11.248
  492   2HE2  GLN  64          HE22      GLN  64   0.873   3.875 -12.809
  493    H    ALA  65           HN       ALA  65   3.969   0.741  -6.724
  494    HA   ALA  65           HA       ALA  65   6.321   2.177  -7.022
  495   1HB   ALA  65           HB1      ALA  65   6.858   1.609  -4.775
  496   2HB   ALA  65           HB2      ALA  65   5.069   1.672  -4.811
  497   3HB   ALA  65           HB3      ALA  65   5.904   0.081  -4.828
  498    H    GLY  66           HN       GLY  66   5.519  -1.215  -7.256
  499   1HA   GLY  66           HA1      GLY  66   6.647  -2.371  -9.029
  500   2HA   GLY  66           HA2      GLY  66   8.213  -1.845  -8.313
  501    H    MET  67           HN       MET  67   5.724  -2.625  -6.008
  502    HA   MET  67           HA       MET  67   7.292  -4.613  -4.892
  503   1HB   MET  67           HB1      MET  67   4.417  -3.838  -4.301
  504   2HB   MET  67           HB2      MET  67   5.263  -5.138  -3.405
  505   1HG   MET  67           HG1      MET  67   7.086  -3.584  -2.736
  506   2HG   MET  67           HG2      MET  67   6.257  -2.249  -3.615
  507   1HE   MET  67           HE1      MET  67   5.324  -5.257  -1.121
  508   2HE   MET  67           HE2      MET  67   4.292  -4.393   0.109
  509   3HE   MET  67           HE3      MET  67   6.067  -4.199   0.148
  510    H    ASN  68           HN       ASN  68   6.653  -6.913  -4.358
  511    HA   ASN  68           HA       ASN  68   4.582  -8.135  -5.819
  512   1HB   ASN  68           HB1      ASN  68   6.694  -7.880  -7.558
  513   2HB   ASN  68           HB2      ASN  68   7.314  -9.280  -6.680
  514   1HD2  ASN  68          HD21      ASN  68   4.034 -11.076  -7.830
  515   2HD2  ASN  68          HD22      ASN  68   4.400 -10.369  -6.288
  516    H    LEU  69           HN       LEU  69   4.031  -9.743  -4.529
  517    HA   LEU  69           HA       LEU  69   5.692 -10.389  -2.235
  518   1HB   LEU  69           HB1      LEU  69   3.580  -9.493  -1.785
  519   2HB   LEU  69           HB2      LEU  69   2.727 -10.594  -2.904
  520    HG   LEU  69           HG       LEU  69   2.702 -10.690  -0.232
  521   1HD1  LEU  69          HD11      LEU  69   1.837 -12.993  -0.278
  522   2HD1  LEU  69          HD12      LEU  69   1.220 -12.009  -1.651
  523   3HD1  LEU  69          HD13      LEU  69   2.503 -13.239  -1.935
  524   1HD2  LEU  69          HD21      LEU  69   4.090 -12.218   0.896
  525   2HD2  LEU  69          HD22      LEU  69   4.826 -12.859  -0.615
  526   3HD2  LEU  69          HD23      LEU  69   5.160 -11.172  -0.097
  527    H    GLU  70           HN       GLU  70   6.695 -11.202  -4.536
  528    HA   GLU  70           HA       GLU  70   7.481 -13.772  -4.261
  529   1HB   GLU  70           HB1      GLU  70   5.808 -13.331  -6.819
  530   2HB   GLU  70           HB2      GLU  70   6.938 -14.695  -6.495
  531   1HG   GLU  70           HG1      GLU  70   5.328 -15.380  -4.558
  532   2HG   GLU  70           HG2      GLU  70   4.180 -14.151  -5.204
  533    H    ALA  71           HN       ALA  71   8.763 -11.624  -4.009
  534    HA   ALA  71           HA       ALA  71   9.930 -10.742  -6.587
  535   1HB   ALA  71           HB1      ALA  71  10.608  -8.632  -5.260
  536   2HB   ALA  71           HB2      ALA  71   8.853  -8.809  -5.522
  537   3HB   ALA  71           HB3      ALA  71   9.543  -9.255  -3.938
  538    H    ARG  72           HN       ARG  72  12.118 -10.465  -6.705
  539    HA   ARG  72           HA       ARG  72  14.199 -10.628  -6.393
  540   1HB   ARG  72           HB1      ARG  72  13.935 -11.374  -3.444
  541   2HB   ARG  72           HB2      ARG  72  15.410 -10.841  -4.300
  542   1HG   ARG  72           HG1      ARG  72  12.904  -9.149  -3.703
  543   2HG   ARG  72           HG2      ARG  72  14.516  -9.027  -2.941
  544   1HD   ARG  72           HD1      ARG  72  15.510  -8.315  -5.170
  545   2HD   ARG  72           HD2      ARG  72  13.850  -8.386  -5.901
  546    HE   ARG  72           HE       ARG  72  14.490  -6.671  -3.512
  547   1HH1  ARG  72          HH21      ARG  72  14.148  -4.980  -7.152
  548   2HH1  ARG  72          HH22      ARG  72  13.909  -6.692  -7.029
  549   1HH2  ARG  72          HH11      ARG  72  14.576  -4.443  -3.673
  550   2HH2  ARG  72          HH12      ARG  72  14.529  -3.696  -5.235
   
  No H/Q in entry =         550
  Start of MODEL   13
    1   1H    LEU   1           HT1      LEU   1  12.123   5.731   3.387
    2   2H    LEU   1           HT2      LEU   1  12.035   6.652   4.812
    3   3H    LEU   1           HT3      LEU   1  11.535   5.028   4.816
    4    HA   LEU   1           HA       LEU   1   9.679   6.457   4.823
    5   1HB   LEU   1           HB1      LEU   1  10.947   7.487   2.209
    6   2HB   LEU   1           HB2      LEU   1   9.223   7.767   2.576
    7    HG   LEU   1           HG       LEU   1  11.473   8.719   4.425
    8   1HD1  LEU   1          HD11      LEU   1  10.044  10.280   2.181
    9   2HD1  LEU   1          HD12      LEU   1  11.189  10.969   3.391
   10   3HD1  LEU   1          HD13      LEU   1  11.768   9.758   2.193
   11   1HD2  LEU   1          HD21      LEU   1   9.240   8.539   5.520
   12   2HD2  LEU   1          HD22      LEU   1   9.713  10.258   5.318
   13   3HD2  LEU   1          HD23      LEU   1   8.494   9.524   4.213
   14    H    CYS   2           HN       CYS   2   7.860   5.403   4.265
   15    HA   CYS   2           HA       CYS   2   7.692   3.123   2.726
   16   1HB   CYS   2           HB1      CYS   2   6.257   3.534   4.741
   17   2HB   CYS   2           HB2      CYS   2   5.520   4.964   3.880
   18    H    LEU   3           HN       LEU   3   7.038   2.939   0.495
   19    HA   LEU   3           HA       LEU   3   6.999   5.538  -0.770
   20   1HB   LEU   3           HB1      LEU   3   7.692   2.759  -1.714
   21   2HB   LEU   3           HB2      LEU   3   7.657   4.137  -2.874
   22    HG   LEU   3           HG       LEU   3   9.416   4.064  -0.372
   23   1HD1  LEU   3          HD11      LEU   3  11.359   3.609  -1.911
   24   2HD1  LEU   3          HD12      LEU   3  10.166   2.267  -1.907
   25   3HD1  LEU   3          HD13      LEU   3  10.215   3.422  -3.290
   26   1HD2  LEU   3          HD21      LEU   3  10.667   5.947  -1.439
   27   2HD2  LEU   3          HD22      LEU   3   9.477   5.970  -2.792
   28   3HD2  LEU   3          HD23      LEU   3   8.955   6.372  -1.114
   29    H    VAL   4           HN       VAL   4   4.825   3.973   0.435
   30    HA   VAL   4           HA       VAL   4   2.979   3.801  -1.834
   31    HB   VAL   4           HB       VAL   4   2.664   2.343   0.807
   32   1HG1  VAL   4          HG21      VAL   4   1.207   1.729  -1.771
   33   2HG1  VAL   4          HG22      VAL   4   0.961   1.008  -0.139
   34   3HG1  VAL   4          HG23      VAL   4   0.577   2.749  -0.415
   35   1HG2  VAL   4          HG11      VAL   4   3.913   1.235  -1.749
   36   2HG2  VAL   4          HG12      VAL   4   4.707   1.518  -0.156
   37   3HG2  VAL   4          HG13      VAL   4   3.429   0.255  -0.300
   38    H    CYS   5           HN       CYS   5   3.058   4.306   1.675
   39    HA   CYS   5           HA       CYS   5   0.853   6.255   1.351
   40   1HB   CYS   5           HB1      CYS   5  -0.049   5.844   3.473
   41   2HB   CYS   5           HB2      CYS   5   0.057   4.313   2.592
   42    H    SER   6           HN       SER   6   3.876   6.307   1.216
   43    HA   SER   6           HA       SER   6   5.559   7.656   1.820
   44   1HB   SER   6           HB1      SER   6   3.575   9.850   1.568
   45   2HB   SER   6           HB2      SER   6   5.292   9.831   0.992
   46    HG   SER   6           HG1      SER   6   4.522   8.190  -0.469
   47    H    ASP   7           HN       ASP   7   5.059   6.595   4.069
   48    HA   ASP   7           HA       ASP   7   4.986   8.691   6.178
   49   1HB   ASP   7           HB1      ASP   7   3.027   7.024   5.972
   50   2HB   ASP   7           HB2      ASP   7   4.176   5.687   6.152
   51    H    GLU   8           HN       GLU   8   6.500   7.981   8.113
   52    HA   GLU   8           HA       GLU   8   8.973   7.226   7.152
   53   1HB   GLU   8           HB1      GLU   8   8.655   6.931  10.100
   54   2HB   GLU   8           HB2      GLU   8   9.968   7.591   9.109
   55   1HG   GLU   8           HG1      GLU   8   9.124   9.479  10.222
   56   2HG   GLU   8           HG2      GLU   8   8.387   9.616   8.601
   57    H    ALA   9           HN       ALA   9   9.700   5.319   6.466
   58    HA   ALA   9           HA       ALA   9   8.273   2.943   7.086
   59   1HB   ALA   9           HB1      ALA   9  10.258   1.957   5.516
   60   2HB   ALA   9           HB2      ALA   9   8.925   2.900   4.806
   61   3HB   ALA   9           HB3      ALA   9  10.522   3.676   5.185
   62    H    SER  10           HN       SER  10   9.290   0.918   7.578
   63    HA   SER  10           HA       SER  10  11.154   1.097   9.799
   64   1HB   SER  10           HB1      SER  10   9.462  -1.262   8.741
   65   2HB   SER  10           HB2      SER  10  10.468  -1.270  10.236
   66    HG   SER  10           HG1      SER  10   9.155   0.475  10.957
   67    H    GLY  11           HN       GLY  11  10.612  -0.325   6.556
   68   1HA   GLY  11           HA1      GLY  11  13.007  -0.197   5.498
   69   2HA   GLY  11           HA2      GLY  11  13.105  -1.727   6.479
   70    H    CYS  12           HN       CYS  12  13.319  -2.086   3.786
   71    HA   CYS  12           HA       CYS  12  10.799  -2.506   2.530
   72   1HB   CYS  12           HB1      CYS  12  12.156  -3.702   0.750
   73   2HB   CYS  12           HB2      CYS  12  12.644  -2.024   1.061
   74    HG1  CYS  12           HG1      CYS  12  14.068  -4.747   2.315
   75    H    HIS  13           HN       HIS  13   9.882  -4.698   1.923
   76    HA   HIS  13           HA       HIS  13  10.892  -6.807   3.732
   77   1HB   HIS  13           HB1      HIS  13   8.958  -5.431   4.854
   78   2HB   HIS  13           HB2      HIS  13   7.898  -6.234   3.668
   79    HD2  HIS  13           HD2      HIS  13   7.804  -9.173   4.013
   80    HE1  HIS  13           HE1      HIS  13   9.893  -9.120   7.690
   81    HE2  HIS  13           HE2      HIS  13   8.556 -10.547   6.044
   82    H    TYR  14           HN       TYR  14   9.062  -5.781   0.872
   83    HA   TYR  14           HA       TYR  14   9.206  -8.545  -0.100
   84   1HB   TYR  14           HB1      TYR  14   7.057  -6.504  -0.884
   85   2HB   TYR  14           HB2      TYR  14   7.418  -8.039  -1.612
   86    HD1  TYR  14           HD1      TYR  14   7.805 -10.056   0.461
   87    HD2  TYR  14           HD2      TYR  14   4.869  -6.919   0.344
   88    HE1  TYR  14           HE1      TYR  14   6.584 -11.145   2.235
   89    HE2  TYR  14           HE2      TYR  14   3.622  -8.052   2.048
   90    HH   TYR  14           HH       TYR  14   4.837 -11.040   3.641
   91    H    GLY  15           HN       GLY  15   8.575  -5.865  -2.184
   92   1HA   GLY  15           HA1      GLY  15  11.401  -6.064  -3.105
   93   2HA   GLY  15           HA2      GLY  15   9.936  -5.832  -4.115
   94    H    VAL  16           HN       VAL  16   9.295  -3.914  -1.488
   95    HA   VAL  16           HA       VAL  16  10.831  -1.620  -2.553
   96    HB   VAL  16           HB       VAL  16   7.857  -1.682  -2.016
   97   1HG1  VAL  16          HG21      VAL  16   9.367   0.639  -3.276
   98   2HG1  VAL  16          HG22      VAL  16   7.583   0.438  -3.062
   99   3HG1  VAL  16          HG23      VAL  16   8.616   0.592  -1.619
  100   1HG2  VAL  16          HG11      VAL  16   9.286  -1.469  -4.768
  101   2HG2  VAL  16          HG12      VAL  16   8.355  -2.890  -4.188
  102   3HG2  VAL  16          HG13      VAL  16   7.512  -1.330  -4.512
  103    H    LEU  17           HN       LEU  17  10.991   0.018  -1.213
  104    HA   LEU  17           HA       LEU  17  11.258  -0.433   1.570
  105   1HB   LEU  17           HB1      LEU  17  12.799   1.058   0.270
  106   2HB   LEU  17           HB2      LEU  17  11.454   2.183  -0.028
  107    HG   LEU  17           HG       LEU  17  11.283   2.598   2.460
  108   1HD1  LEU  17          HD11      LEU  17  13.167   1.944   3.961
  109   2HD1  LEU  17          HD12      LEU  17  12.215   0.538   3.377
  110   3HD1  LEU  17          HD13      LEU  17  13.834   0.886   2.660
  111   1HD2  LEU  17          HD21      LEU  17  13.286   4.054   2.612
  112   2HD2  LEU  17          HD22      LEU  17  14.056   3.175   1.239
  113   3HD2  LEU  17          HD23      LEU  17  12.557   4.137   0.968
  114    H    THR  18           HN       THR  18   9.413  -0.734   2.748
  115    HA   THR  18           HA       THR  18   7.207   1.204   2.412
  116    HB   THR  18           HB       THR  18   5.814  -0.995   3.271
  117    HG1  THR  18           HG1      THR  18   7.691  -2.171   3.717
  118   1HG2  THR  18          HG21      THR  18   5.424  -1.894   1.118
  119   2HG2  THR  18          HG22      THR  18   5.463  -0.085   1.073
  120   3HG2  THR  18          HG23      THR  18   6.861  -1.047   0.404
  121    H    CYS  19           HN       CYS  19   5.656   0.833   4.297
  122    HA   CYS  19           HA       CYS  19   7.247   1.366   6.634
  123   1HB   CYS  19           HB1      CYS  19   5.331   2.000   7.898
  124   2HB   CYS  19           HB2      CYS  19   5.540   2.933   6.478
  125    H    GLY  20           HN       GLY  20   5.382   0.265   8.625
  126   1HA   GLY  20           HA1      GLY  20   6.310  -2.496   8.640
  127   2HA   GLY  20           HA2      GLY  20   5.404  -1.583   9.905
  128    H    SER  21           HN       SER  21   3.283  -0.639   8.636
  129    HA   SER  21           HA       SER  21   1.550  -2.834   8.536
  130   1HB   SER  21           HB1      SER  21   1.022   0.113   7.863
  131   2HB   SER  21           HB2      SER  21  -0.247  -1.129   8.177
  132    HG   SER  21           HG1      SER  21   0.275   0.118   9.983
  133    H    CYS  22           HN       CYS  22   2.998  -0.991   5.762
  134    HA   CYS  22           HA       CYS  22   1.037  -1.791   3.974
  135   1HB   CYS  22           HB1      CYS  22   3.714  -0.575   3.389
  136   2HB   CYS  22           HB2      CYS  22   2.635  -1.170   2.090
  137    H    LYS  23           HN       LYS  23   3.759  -3.477   5.164
  138    HA   LYS  23           HA       LYS  23   4.026  -5.380   3.182
  139   1HB   LYS  23           HB1      LYS  23   5.767  -5.110   4.915
  140   2HB   LYS  23           HB2      LYS  23   4.589  -5.510   6.180
  141   1HG   LYS  23           HG1      LYS  23   4.524  -7.824   4.536
  142   2HG   LYS  23           HG2      LYS  23   6.204  -7.332   4.402
  143   1HD   LYS  23           HD1      LYS  23   6.557  -7.587   6.797
  144   2HD   LYS  23           HD2      LYS  23   4.807  -7.471   7.150
  145   1HE   LYS  23           HE1      LYS  23   4.356  -9.690   6.152
  146   2HE   LYS  23           HE2      LYS  23   6.087  -9.882   5.697
  147   1HZ   LYS  23           HZ1      LYS  23   5.565 -11.011   7.700
  148   2HZ   LYS  23           HZ2      LYS  23   6.643  -9.740   8.025
  149   3HZ   LYS  23           HZ3      LYS  23   5.001  -9.588   8.433
  150    H    VAL  24           HN       VAL  24   2.337  -5.500   6.255
  151    HA   VAL  24           HA       VAL  24   1.090  -7.938   5.932
  152    HB   VAL  24           HB       VAL  24   0.189  -5.571   7.705
  153   1HG1  VAL  24          HG21      VAL  24  -0.209  -8.594   8.175
  154   2HG1  VAL  24          HG22      VAL  24  -0.651  -7.259   9.319
  155   3HG1  VAL  24          HG23      VAL  24  -1.484  -7.403   7.729
  156   1HG2  VAL  24          HG11      VAL  24   2.359  -7.654   8.349
  157   2HG2  VAL  24          HG12      VAL  24   2.576  -5.875   8.111
  158   3HG2  VAL  24          HG13      VAL  24   1.652  -6.478   9.519
  159    H    PHE  25           HN       PHE  25   0.025  -4.742   5.242
  160    HA   PHE  25           HA       PHE  25  -2.630  -5.032   4.622
  161   1HB   PHE  25           HB1      PHE  25  -1.456  -2.851   4.905
  162   2HB   PHE  25           HB2      PHE  25  -0.405  -3.191   3.534
  163    HD1  PHE  25           HD2      PHE  25  -4.225  -3.407   3.785
  164    HD2  PHE  25           HD1      PHE  25  -0.732  -1.697   1.929
  165    HE1  PHE  25           HE2      PHE  25  -5.630  -2.448   1.989
  166    HE2  PHE  25           HE1      PHE  25  -2.108  -0.765   0.166
  167    HZ   PHE  25           HZ       PHE  25  -4.574  -1.181   0.137
  168    H    PHE  26           HN       PHE  26   0.244  -5.055   2.621
  169    HA   PHE  26           HA       PHE  26  -0.844  -5.599   0.171
  170   1HB   PHE  26           HB1      PHE  26   1.364  -4.543   0.499
  171   2HB   PHE  26           HB2      PHE  26   2.015  -6.037   1.240
  172    HD1  PHE  26           HD1      PHE  26   2.321  -8.098  -0.258
  173    HD2  PHE  26           HD2      PHE  26   1.373  -4.216  -1.763
  174    HE1  PHE  26           HE1      PHE  26   3.075  -8.766  -2.502
  175    HE2  PHE  26           HE2      PHE  26   2.180  -4.870  -4.026
  176    HZ   PHE  26           HZ       PHE  26   3.113  -7.177  -4.347
  177    H    LYS  27           HN       LYS  27   0.669  -7.831   2.415
  178    HA   LYS  27           HA       LYS  27   0.371 -10.038   0.685
  179   1HB   LYS  27           HB1      LYS  27   2.223 -10.237   2.053
  180   2HB   LYS  27           HB2      LYS  27   1.273 -10.079   3.562
  181   1HG   LYS  27           HG1      LYS  27   0.300 -12.281   3.301
  182   2HG   LYS  27           HG2      LYS  27   0.815 -12.427   1.599
  183   1HD   LYS  27           HD1      LYS  27   2.840 -12.283   3.913
  184   2HD   LYS  27           HD2      LYS  27   2.054 -13.803   3.406
  185   1HE   LYS  27           HE1      LYS  27   2.958 -13.571   1.079
  186   2HE   LYS  27           HE2      LYS  27   3.787 -12.040   1.540
  187   1HZ   LYS  27           HZ1      LYS  27   4.235 -14.694   2.764
  188   2HZ   LYS  27           HZ2      LYS  27   5.218 -13.943   1.601
  189   3HZ   LYS  27           HZ3      LYS  27   5.051 -13.254   3.145
  190    H    ARG  28           HN       ARG  28  -1.905  -8.696   2.973
  191    HA   ARG  28           HA       ARG  28  -3.674 -10.986   2.638
  192   1HB   ARG  28           HB1      ARG  28  -3.535  -8.637   4.447
  193   2HB   ARG  28           HB2      ARG  28  -5.183  -8.910   3.840
  194   1HG   ARG  28           HG1      ARG  28  -4.882 -10.058   5.963
  195   2HG   ARG  28           HG2      ARG  28  -5.220 -11.210   4.635
  196   1HD   ARG  28           HD1      ARG  28  -2.738 -11.797   4.539
  197   2HD   ARG  28           HD2      ARG  28  -2.457 -10.693   5.953
  198    HE   ARG  28           HE       ARG  28  -4.443 -12.958   6.028
  199   1HH1  ARG  28          HH21      ARG  28  -0.850 -13.484   7.748
  200   2HH1  ARG  28          HH22      ARG  28  -1.145 -11.982   6.936
  201   1HH2  ARG  28          HH11      ARG  28  -2.558 -15.075   7.960
  202   2HH2  ARG  28          HH12      ARG  28  -4.130 -14.761   7.304
  203    H    ALA  29           HN       ALA  29  -3.138  -7.821   1.316
  204    HA   ALA  29           HA       ALA  29  -5.552  -7.561  -0.080
  205   1HB   ALA  29           HB1      ALA  29  -4.480  -5.655  -1.240
  206   2HB   ALA  29           HB2      ALA  29  -4.246  -5.594   0.520
  207   3HB   ALA  29           HB3      ALA  29  -2.882  -6.145  -0.515
  208    H    VAL  30           HN       VAL  30  -2.472  -9.058  -0.964
  209    HA   VAL  30           HA       VAL  30  -3.133  -9.350  -3.740
  210    HB   VAL  30           HB       VAL  30  -0.777 -10.407  -2.091
  211   1HG1  VAL  30          HG21      VAL  30  -1.289 -10.548  -5.117
  212   2HG1  VAL  30          HG22      VAL  30   0.306 -10.901  -4.342
  213   3HG1  VAL  30          HG23      VAL  30  -1.127 -11.935  -3.958
  214   1HG2  VAL  30          HG11      VAL  30  -0.833  -8.078  -4.106
  215   2HG2  VAL  30          HG12      VAL  30  -0.466  -7.979  -2.347
  216   3HG2  VAL  30          HG13      VAL  30   0.648  -8.858  -3.437
  217    H    GLU  31           HN       GLU  31  -2.395 -11.466  -1.038
  218    HA   GLU  31           HA       GLU  31  -3.734 -13.749  -2.268
  219   1HB   GLU  31           HB1      GLU  31  -2.050 -13.629   0.286
  220   2HB   GLU  31           HB2      GLU  31  -2.669 -15.115  -0.481
  221   1HG   GLU  31           HG1      GLU  31  -0.655 -13.163  -1.812
  222   2HG   GLU  31           HG2      GLU  31  -0.204 -14.606  -0.859
  223    H    GLY  32           HN       GLY  32  -5.592 -12.115  -1.883
  224   1HA   GLY  32           HA1      GLY  32  -7.429 -13.388  -0.245
  225   2HA   GLY  32           HA2      GLY  32  -6.862 -11.876   0.588
  226    H    GLN  33           HN       GLN  33  -8.734 -10.651   0.318
  227    HA   GLN  33           HA       GLN  33  -9.315  -9.807  -2.427
  228   1HB   GLN  33           HB1      GLN  33 -11.763  -9.466  -1.610
  229   2HB   GLN  33           HB2      GLN  33 -11.177 -11.030  -2.177
  230   1HG   GLN  33           HG1      GLN  33 -12.506 -11.623  -0.387
  231   2HG   GLN  33           HG2      GLN  33 -10.858 -11.810   0.254
  232   1HE2  GLN  33          HE21      GLN  33 -10.522 -10.871   2.282
  233   2HE2  GLN  33          HE22      GLN  33 -11.517  -9.655   3.011
  234    H    HIS  34           HN       HIS  34 -11.131  -8.343  -0.030
  235    HA   HIS  34           HA       HIS  34 -10.534  -6.720   1.514
  236   1HB   HIS  34           HB1      HIS  34  -8.676  -5.597  -0.625
  237   2HB   HIS  34           HB2      HIS  34  -9.374  -4.554   0.631
  238    HD2  HIS  34           HD2      HIS  34  -7.467  -8.111   1.189
  239    HE1  HIS  34           HE1      HIS  34  -5.807  -5.053   3.571
  240    HE2  HIS  34           HE2      HIS  34  -5.739  -7.531   2.960
  241    H    ASN  35           HN       ASN  35 -11.627  -4.552   1.425
  242    HA   ASN  35           HA       ASN  35 -13.327  -4.149  -0.945
  243   1HB   ASN  35           HB1      ASN  35 -14.163  -3.970   2.039
  244   2HB   ASN  35           HB2      ASN  35 -15.143  -3.362   0.660
  245   1HD2  ASN  35          HD21      ASN  35 -15.303  -7.313   1.713
  246   2HD2  ASN  35          HD22      ASN  35 -14.462  -6.114   2.640
  247    H    TYR  36           HN       TYR  36 -11.726  -2.689  -1.664
  248    HA   TYR  36           HA       TYR  36 -10.879  -0.607   0.111
  249   1HB   TYR  36           HB1      TYR  36  -9.957  -0.487  -2.713
  250   2HB   TYR  36           HB2      TYR  36  -9.103  -0.283  -1.152
  251    HD1  TYR  36           HD1      TYR  36 -10.579  -2.886  -3.457
  252    HD2  TYR  36           HD2      TYR  36  -7.503  -1.903  -0.603
  253    HE1  TYR  36           HE1      TYR  36  -9.327  -4.911  -4.094
  254    HE2  TYR  36           HE2      TYR  36  -6.252  -3.903  -1.257
  255    HH   TYR  36           HH       TYR  36  -7.435  -6.114  -3.828
  256    H    LEU  37           HN       LEU  37 -12.273  -0.779  -3.221
  257    HA   LEU  37           HA       LEU  37 -13.841   0.258  -4.219
  258   1HB   LEU  37           HB1      LEU  37 -14.516   2.021  -1.824
  259   2HB   LEU  37           HB2      LEU  37 -15.479   1.806  -3.313
  260    HG   LEU  37           HG       LEU  37 -14.861  -0.389  -1.236
  261   1HD1  LEU  37          HD11      LEU  37 -17.244  -0.191  -0.584
  262   2HD1  LEU  37          HD12      LEU  37 -16.352   1.348  -0.315
  263   3HD1  LEU  37          HD13      LEU  37 -17.459   1.187  -1.730
  264   1HD2  LEU  37          HD21      LEU  37 -16.607  -1.737  -2.435
  265   2HD2  LEU  37          HD22      LEU  37 -16.676  -0.482  -3.730
  266   3HD2  LEU  37          HD23      LEU  37 -15.161  -1.423  -3.454
  267    H    CYS  38           HN       CYS  38 -12.320   0.975  -5.648
  268    HA   CYS  38           HA       CYS  38 -12.416   3.481  -6.529
  269   1HB   CYS  38           HB1      CYS  38 -10.588   3.570  -4.364
  270   2HB   CYS  38           HB2      CYS  38  -9.489   3.372  -5.744
  271    H    ALA  39           HN       ALA  39 -12.404   2.633  -8.464
  272    HA   ALA  39           HA       ALA  39 -10.211   1.172  -9.527
  273   1HB   ALA  39           HB1      ALA  39 -11.764  -0.726 -10.348
  274   2HB   ALA  39           HB2      ALA  39 -11.624  -0.688  -8.556
  275   3HB   ALA  39           HB3      ALA  39 -13.070   0.036  -9.339
  276    H    GLY  40           HN       GLY  40 -12.924   3.204  -9.649
  277   1HA   GLY  40           HA1      GLY  40 -12.741   3.439 -12.595
  278   2HA   GLY  40           HA2      GLY  40 -14.248   3.575 -11.613
  279    H    ARG  41           HN       ARG  41 -11.681   4.923  -9.807
  280    HA   ARG  41           HA       ARG  41 -12.086   7.591 -10.937
  281   1HB   ARG  41           HB1      ARG  41 -12.110   6.666  -8.022
  282   2HB   ARG  41           HB2      ARG  41 -11.743   8.354  -8.501
  283   1HG   ARG  41           HG1      ARG  41 -14.383   6.861  -9.050
  284   2HG   ARG  41           HG2      ARG  41 -14.076   8.059  -7.754
  285   1HD   ARG  41           HD1      ARG  41 -13.551   9.812  -9.545
  286   2HD   ARG  41           HD2      ARG  41 -14.053   8.612 -10.807
  287    HE   ARG  41           HE       ARG  41 -16.255   8.496  -9.524
  288   1HH1  ARG  41          HH21      ARG  41 -15.888  12.272 -10.869
  289   2HH1  ARG  41          HH22      ARG  41 -14.449  11.449 -10.368
  290   1HH2  ARG  41          HH11      ARG  41 -17.984  11.259 -10.618
  291   2HH2  ARG  41          HH12      ARG  41 -18.113   9.675  -9.928
  292    H    ASN  42           HN       ASN  42 -10.183   6.431  -8.269
  293    HA   ASN  42           HA       ASN  42  -8.099   6.371  -7.759
  294   1HB   ASN  42           HB1      ASN  42  -7.703   4.764  -9.607
  295   2HB   ASN  42           HB2      ASN  42  -7.426   6.108 -10.750
  296   1HD2  ASN  42          HD21      ASN  42  -3.954   6.206 -10.045
  297   2HD2  ASN  42          HD22      ASN  42  -5.259   6.469 -11.152
  298    H    ASP  43           HN       ASP  43  -9.043   8.539  -7.179
  299    HA   ASP  43           HA       ASP  43  -7.684  10.776  -8.538
  300   1HB   ASP  43           HB1      ASP  43  -9.393  12.102  -6.849
  301   2HB   ASP  43           HB2      ASP  43  -9.717  11.667  -8.558
  302    H    CYS  44           HN       CYS  44  -8.593   9.452  -5.238
  303    HA   CYS  44           HA       CYS  44  -7.500  11.379  -3.914
  304   1HB   CYS  44           HB1      CYS  44  -7.327   8.890  -2.297
  305   2HB   CYS  44           HB2      CYS  44  -8.446  10.257  -2.216
  306    H    ILE  45           HN       ILE  45  -5.574  11.702  -2.713
  307    HA   ILE  45           HA       ILE  45  -3.185  10.394  -3.735
  308    HB   ILE  45           HB       ILE  45  -3.508  12.737  -1.779
  309   1HG1  ILE  45          HG11      ILE  45  -4.408  13.403  -3.939
  310   2HG1  ILE  45          HG12      ILE  45  -2.877  14.250  -3.598
  311   1HG2  ILE  45          HG21      ILE  45  -1.089  13.246  -2.260
  312   2HG2  ILE  45          HG22      ILE  45  -1.303  11.681  -1.416
  313   3HG2  ILE  45          HG23      ILE  45  -0.956  11.704  -3.180
  314   1HD1  ILE  45           HD1      ILE  45  -2.992  13.575  -5.984
  315   2HD1  ILE  45           HD2      ILE  45  -1.659  12.681  -5.174
  316   3HD1  ILE  45           HD3      ILE  45  -3.219  11.850  -5.530
  317    H    ILE  46           HN       ILE  46  -1.774   9.257  -2.305
  318    HA   ILE  46           HA       ILE  46  -2.922   8.506   0.294
  319    HB   ILE  46           HB       ILE  46  -1.932   6.759  -1.992
  320   1HG1  ILE  46          HG11      ILE  46  -4.320   7.205  -2.020
  321   2HG1  ILE  46          HG12      ILE  46  -4.024   5.508  -1.554
  322   1HG2  ILE  46          HG21      ILE  46  -2.004   4.762  -0.611
  323   2HG2  ILE  46          HG22      ILE  46  -0.705   5.860  -0.036
  324   3HG2  ILE  46          HG23      ILE  46  -2.232   5.749   0.899
  325   1HD1  ILE  46           HD1      ILE  46  -5.873   6.462  -0.233
  326   2HD1  ILE  46           HD2      ILE  46  -4.499   6.077   0.866
  327   3HD1  ILE  46           HD3      ILE  46  -4.840   7.774   0.395
  328    H    ASP  47           HN       ASP  47  -1.784   9.499   1.607
  329    HA   ASP  47           HA       ASP  47   1.009   8.945   1.729
  330   1HB   ASP  47           HB1      ASP  47   1.811  11.114   2.137
  331   2HB   ASP  47           HB2      ASP  47   1.138  11.039   0.499
  332    H    LYS  48           HN       LYS  48   1.516  10.298   4.054
  333    HA   LYS  48           HA       LYS  48   0.254   8.744   5.926
  334   1HB   LYS  48           HB1      LYS  48   1.611  10.288   7.584
  335   2HB   LYS  48           HB2      LYS  48   2.399   9.150   6.472
  336   1HG   LYS  48           HG1      LYS  48   3.631  11.231   6.515
  337   2HG   LYS  48           HG2      LYS  48   2.972  10.935   4.883
  338   1HD   LYS  48           HD1      LYS  48   1.181  12.588   5.236
  339   2HD   LYS  48           HD2      LYS  48   1.724  12.867   6.930
  340   1HE   LYS  48           HE1      LYS  48   3.933  13.745   6.064
  341   2HE   LYS  48           HE2      LYS  48   3.387  13.440   4.368
  342   1HZ   LYS  48           HZ1      LYS  48   3.097  15.695   5.004
  343   2HZ   LYS  48           HZ2      LYS  48   1.586  14.965   4.737
  344   3HZ   LYS  48           HZ3      LYS  48   2.118  15.261   6.323
  345    H    ILE  49           HN       ILE  49  -1.022  11.569   4.678
  346    HA   ILE  49           HA       ILE  49  -2.527  12.275   7.096
  347    HB   ILE  49           HB       ILE  49  -2.030  13.654   4.417
  348   1HG1  ILE  49          HG11      ILE  49  -0.207  14.014   5.938
  349   2HG1  ILE  49          HG12      ILE  49  -1.115  15.529   5.739
  350   1HG2  ILE  49          HG21      ILE  49  -3.441  15.596   5.159
  351   2HG2  ILE  49          HG22      ILE  49  -4.364  14.088   4.818
  352   3HG2  ILE  49          HG23      ILE  49  -4.061  14.587   6.528
  353   1HD1  ILE  49           HD1      ILE  49  -0.449  15.274   8.094
  354   2HD1  ILE  49           HD2      ILE  49  -2.240  15.111   7.996
  355   3HD1  ILE  49           HD3      ILE  49  -1.204  13.647   8.197
  356    H    ARG  50           HN       ARG  50  -2.834  11.489   3.716
  357    HA   ARG  50           HA       ARG  50  -5.686  11.085   3.816
  358   1HB   ARG  50           HB1      ARG  50  -3.643  10.747   1.562
  359   2HB   ARG  50           HB2      ARG  50  -5.436  10.658   1.353
  360   1HG   ARG  50           HG1      ARG  50  -3.824  13.119   2.279
  361   2HG   ARG  50           HG2      ARG  50  -4.509  12.851   0.652
  362   1HD   ARG  50           HD1      ARG  50  -6.851  12.931   1.580
  363   2HD   ARG  50           HD2      ARG  50  -6.192  13.093   3.252
  364    HE   ARG  50           HE       ARG  50  -5.287  15.239   2.716
  365   1HH1  ARG  50          HH21      ARG  50  -6.512  15.412  -1.120
  366   2HH1  ARG  50          HH22      ARG  50  -6.920  14.001  -0.201
  367   1HH2  ARG  50          HH11      ARG  50  -5.391  17.206  -0.102
  368   2HH2  ARG  50          HH12      ARG  50  -4.966  17.129   1.575
  369    H    ARG  51           HN       ARG  51  -3.380   9.239   4.932
  370    HA   ARG  51           HA       ARG  51  -4.125   6.670   4.010
  371   1HB   ARG  51           HB1      ARG  51  -1.900   7.139   5.063
  372   2HB   ARG  51           HB2      ARG  51  -2.712   7.495   6.607
  373   1HG   ARG  51           HG1      ARG  51  -3.600   5.050   6.543
  374   2HG   ARG  51           HG2      ARG  51  -2.537   4.783   5.127
  375   1HD   ARG  51           HD1      ARG  51  -0.517   5.223   6.480
  376   2HD   ARG  51           HD2      ARG  51  -1.520   5.829   7.861
  377    HE   ARG  51           HE       ARG  51  -1.797   3.014   6.844
  378   1HH1  ARG  51          HH21      ARG  51   0.392   3.720  10.140
  379   2HH1  ARG  51          HH22      ARG  51  -0.162   5.078   9.217
  380   1HH2  ARG  51          HH11      ARG  51  -0.294   1.552   9.581
  381   2HH2  ARG  51          HH12      ARG  51  -1.362   1.289   8.243
  382    H    LYS  52           HN       LYS  52  -6.137   5.938   4.275
  383    HA   LYS  52           HA       LYS  52  -7.627   4.761   5.480
  384   1HB   LYS  52           HB1      LYS  52  -7.522   6.759   7.783
  385   2HB   LYS  52           HB2      LYS  52  -8.657   5.389   7.648
  386   1HG   LYS  52           HG1      LYS  52  -6.793   3.750   7.658
  387   2HG   LYS  52           HG2      LYS  52  -5.597   5.067   7.836
  388   1HD   LYS  52           HD1      LYS  52  -6.617   5.748  10.007
  389   2HD   LYS  52           HD2      LYS  52  -7.875   4.482   9.830
  390   1HE   LYS  52           HE1      LYS  52  -6.092   2.688   9.922
  391   2HE   LYS  52           HE2      LYS  52  -4.827   3.965  10.109
  392   1HZ   LYS  52           HZ1      LYS  52  -5.467   3.021  12.183
  393   2HZ   LYS  52           HZ2      LYS  52  -5.910   4.660  12.121
  394   3HZ   LYS  52           HZ3      LYS  52  -7.092   3.453  11.945
  395    H    ASN  53           HN       ASN  53  -7.535   7.122   3.638
  396    HA   ASN  53           HA       ASN  53 -10.260   8.111   3.876
  397   1HB   ASN  53           HB1      ASN  53  -7.960   9.050   2.025
  398   2HB   ASN  53           HB2      ASN  53  -9.627   9.651   1.933
  399   1HD2  ASN  53          HD21      ASN  53  -8.744  12.310   4.071
  400   2HD2  ASN  53          HD22      ASN  53  -9.406  11.768   2.567
  401    H    CYS  54           HN       CYS  54  -7.998   6.009   2.220
  402    HA   CYS  54           HA       CYS  54 -10.078   4.736   0.756
  403   1HB   CYS  54           HB1      CYS  54  -9.702   6.667  -0.733
  404   2HB   CYS  54           HB2      CYS  54  -7.947   6.412  -0.713
  405    HA   PRO  55           HA       PRO  55  -6.506   1.965   1.472
  406   1HB   PRO  55           HB1      PRO  55  -8.427  -0.257   0.953
  407   2HB   PRO  55           HB2      PRO  55  -7.425   0.048   2.355
  408   1HG   PRO  55           HG1      PRO  55 -10.110   0.435   2.436
  409   2HG   PRO  55           HG2      PRO  55  -9.028   1.526   3.287
  410   1HD   PRO  55           HD1      PRO  55 -10.218   1.936   0.520
  411   2HD   PRO  55           HD2      PRO  55 -10.260   3.033   1.905
  412    H    ALA  56           HN       ALA  56  -8.471   2.430  -1.410
  413    HA   ALA  56           HA       ALA  56  -7.701   0.167  -2.867
  414   1HB   ALA  56           HB1      ALA  56  -9.076   1.180  -4.671
  415   2HB   ALA  56           HB2      ALA  56  -9.900   1.540  -3.104
  416   3HB   ALA  56           HB3      ALA  56  -8.886   2.778  -3.869
  417    H    CYS  57           HN       CYS  57  -6.987   3.674  -3.071
  418    HA   CYS  57           HA       CYS  57  -5.182   3.685  -5.101
  419   1HB   CYS  57           HB1      CYS  57  -5.766   5.512  -2.748
  420   2HB   CYS  57           HB2      CYS  57  -4.504   5.911  -3.925
  421    H    ARG  58           HN       ARG  58  -4.711   3.107  -1.719
  422    HA   ARG  58           HA       ARG  58  -1.937   3.017  -1.567
  423   1HB   ARG  58           HB1      ARG  58  -3.782   1.154   0.054
  424   2HB   ARG  58           HB2      ARG  58  -2.123   1.677   0.459
  425   1HG   ARG  58           HG1      ARG  58  -3.725   4.065   0.200
  426   2HG   ARG  58           HG2      ARG  58  -4.729   2.902   1.045
  427   1HD   ARG  58           HD1      ARG  58  -1.858   3.683   1.900
  428   2HD   ARG  58           HD2      ARG  58  -3.369   4.307   2.655
  429    HE   ARG  58           HE       ARG  58  -2.332   1.467   2.758
  430   1HH1  ARG  58          HH21      ARG  58  -5.893   2.339   4.436
  431   2HH1  ARG  58          HH22      ARG  58  -5.050   3.614   3.623
  432   1HH2  ARG  58          HH11      ARG  58  -4.908   0.229   4.675
  433   2HH2  ARG  58          HH12      ARG  58  -3.325  -0.077   4.038
  434    H    TYR  59           HN       TYR  59  -4.287   0.541  -2.625
  435    HA   TYR  59           HA       TYR  59  -2.400  -1.586  -2.642
  436   1HB   TYR  59           HB1      TYR  59  -4.815  -1.983  -2.279
  437   2HB   TYR  59           HB2      TYR  59  -5.174  -1.393  -3.924
  438    HD1  TYR  59           HD1      TYR  59  -2.896  -3.989  -2.282
  439    HD2  TYR  59           HD2      TYR  59  -5.467  -2.987  -5.584
  440    HE1  TYR  59           HE1      TYR  59  -2.678  -6.308  -3.165
  441    HE2  TYR  59           HE2      TYR  59  -5.204  -5.267  -6.477
  442    HH   TYR  59           HH       TYR  59  -4.294  -7.290  -6.206
  443    H    ARG  60           HN       ARG  60  -3.558   0.909  -4.834
  444    HA   ARG  60           HA       ARG  60  -2.296  -0.064  -7.145
  445   1HB   ARG  60           HB1      ARG  60  -3.445   2.694  -6.535
  446   2HB   ARG  60           HB2      ARG  60  -2.844   2.181  -8.141
  447   1HG   ARG  60           HG1      ARG  60  -4.498   0.394  -8.295
  448   2HG   ARG  60           HG2      ARG  60  -5.032   0.641  -6.611
  449   1HD   ARG  60           HD1      ARG  60  -5.881   2.960  -7.235
  450   2HD   ARG  60           HD2      ARG  60  -5.480   2.606  -8.963
  451    HE   ARG  60           HE       ARG  60  -7.450   1.145  -7.214
  452   1HH1  ARG  60          HH21      ARG  60  -6.918  -0.091 -11.012
  453   2HH1  ARG  60          HH22      ARG  60  -6.066   1.327 -10.497
  454   1HH2  ARG  60          HH11      ARG  60  -8.387  -1.186  -9.553
  455   2HH2  ARG  60          HH12      ARG  60  -8.635  -0.586  -7.947
  456    H    LYS  61           HN       LYS  61  -1.298   2.068  -4.534
  457    HA   LYS  61           HA       LYS  61   0.920   3.155  -5.788
  458   1HB   LYS  61           HB1      LYS  61  -0.216   3.102  -3.041
  459   2HB   LYS  61           HB2      LYS  61   1.539   3.367  -3.058
  460   1HG   LYS  61           HG1      LYS  61  -0.153   4.991  -4.940
  461   2HG   LYS  61           HG2      LYS  61  -0.150   5.353  -3.149
  462   1HD   LYS  61           HD1      LYS  61   1.400   6.838  -4.254
  463   2HD   LYS  61           HD2      LYS  61   2.315   5.698  -3.225
  464   1HE   LYS  61           HE1      LYS  61   2.972   4.359  -5.254
  465   2HE   LYS  61           HE2      LYS  61   2.011   5.472  -6.306
  466   1HZ   LYS  61           HZ1      LYS  61   4.317   6.203  -4.602
  467   2HZ   LYS  61           HZ2      LYS  61   4.319   5.997  -6.287
  468   3HZ   LYS  61           HZ3      LYS  61   3.422   7.258  -5.587
  469    H    CYS  62           HN       CYS  62   0.730   0.429  -3.597
  470    HA   CYS  62           HA       CYS  62   3.456  -0.070  -3.417
  471   1HB   CYS  62           HB1      CYS  62   2.678  -2.534  -2.858
  472   2HB   CYS  62           HB2      CYS  62   2.360  -1.193  -1.732
  473    HG1  CYS  62           HG1      CYS  62   0.370  -2.866  -1.788
  474    H    LEU  63           HN       LEU  63   1.026  -1.360  -5.683
  475    HA   LEU  63           HA       LEU  63   2.772  -2.975  -7.109
  476   1HB   LEU  63           HB1      LEU  63   0.101  -1.725  -7.943
  477   2HB   LEU  63           HB2      LEU  63   0.940  -3.002  -8.879
  478    HG   LEU  63           HG       LEU  63  -0.013  -3.308  -5.965
  479   1HD1  LEU  63          HD11      LEU  63  -1.865  -4.688  -6.840
  480   2HD1  LEU  63          HD12      LEU  63  -1.951  -3.015  -7.496
  481   3HD1  LEU  63          HD13      LEU  63  -1.349  -4.359  -8.535
  482   1HD2  LEU  63          HD21      LEU  63   0.345  -5.751  -6.309
  483   2HD2  LEU  63          HD22      LEU  63   1.039  -5.428  -7.941
  484   3HD2  LEU  63          HD23      LEU  63   1.878  -4.830  -6.461
  485    H    GLN  64           HN       GLN  64   1.835   0.450  -7.540
  486    HA   GLN  64           HA       GLN  64   3.122   0.904  -9.947
  487   1HB   GLN  64           HB1      GLN  64   2.186   2.719  -7.701
  488   2HB   GLN  64           HB2      GLN  64   3.161   3.409  -9.033
  489   1HG   GLN  64           HG1      GLN  64   1.534   2.729 -10.737
  490   2HG   GLN  64           HG2      GLN  64   0.536   1.865  -9.535
  491   1HE2  GLN  64          HE21      GLN  64   1.404   5.023 -10.870
  492   2HE2  GLN  64          HE22      GLN  64   0.272   5.972  -9.967
  493    H    ALA  65           HN       ALA  65   4.123   1.226  -6.618
  494    HA   ALA  65           HA       ALA  65   6.659   2.246  -6.970
  495   1HB   ALA  65           HB1      ALA  65   7.142   1.640  -4.672
  496   2HB   ALA  65           HB2      ALA  65   5.451   2.217  -4.776
  497   3HB   ALA  65           HB3      ALA  65   5.771   0.454  -4.648
  498    H    GLY  66           HN       GLY  66   5.555  -1.053  -7.119
  499   1HA   GLY  66           HA1      GLY  66   6.647  -2.415  -8.710
  500   2HA   GLY  66           HA2      GLY  66   8.239  -1.907  -8.055
  501    H    MET  67           HN       MET  67   5.639  -2.581  -5.806
  502    HA   MET  67           HA       MET  67   7.129  -4.521  -4.497
  503   1HB   MET  67           HB1      MET  67   4.219  -3.741  -4.145
  504   2HB   MET  67           HB2      MET  67   4.975  -5.041  -3.178
  505   1HG   MET  67           HG1      MET  67   6.804  -3.435  -2.474
  506   2HG   MET  67           HG2      MET  67   5.861  -2.108  -3.247
  507   1HE   MET  67           HE1      MET  67   5.355  -5.335  -0.967
  508   2HE   MET  67           HE2      MET  67   4.403  -4.660   0.435
  509   3HE   MET  67           HE3      MET  67   6.145  -4.267   0.257
  510    H    ASN  68           HN       ASN  68   6.362  -6.720  -3.836
  511    HA   ASN  68           HA       ASN  68   4.573  -8.185  -5.536
  512   1HB   ASN  68           HB1      ASN  68   7.158  -8.098  -6.575
  513   2HB   ASN  68           HB2      ASN  68   7.418  -9.375  -5.372
  514   1HD2  ASN  68          HD21      ASN  68   4.677 -11.394  -7.202
  515   2HD2  ASN  68          HD22      ASN  68   4.618 -10.501  -5.708
  516    H    LEU  69           HN       LEU  69   5.050 -10.658  -4.365
  517    HA   LEU  69           HA       LEU  69   6.219 -10.270  -1.768
  518   1HB   LEU  69           HB1      LEU  69   4.593 -11.392  -0.434
  519   2HB   LEU  69           HB2      LEU  69   3.960  -9.902  -1.113
  520    HG   LEU  69           HG       LEU  69   3.180 -12.791  -1.633
  521   1HD1  LEU  69          HD11      LEU  69   0.897 -11.860  -1.226
  522   2HD1  LEU  69          HD12      LEU  69   2.052 -11.379   0.071
  523   3HD1  LEU  69          HD13      LEU  69   1.586 -10.188  -1.184
  524   1HD2  LEU  69          HD21      LEU  69   1.770 -12.251  -3.573
  525   2HD2  LEU  69          HD22      LEU  69   2.454 -10.579  -3.651
  526   3HD2  LEU  69          HD23      LEU  69   3.497 -12.019  -3.970
  527    H    GLU  70           HN       GLU  70   6.965 -11.210  -4.249
  528    HA   GLU  70           HA       GLU  70   8.061 -13.728  -3.555
  529   1HB   GLU  70           HB1      GLU  70   6.597 -13.278  -6.229
  530   2HB   GLU  70           HB2      GLU  70   7.638 -14.693  -5.830
  531   1HG   GLU  70           HG1      GLU  70   5.989 -15.328  -3.989
  532   2HG   GLU  70           HG2      GLU  70   4.920 -13.978  -4.501
  533    H    ALA  71           HN       ALA  71   8.915 -11.308  -3.233
  534    HA   ALA  71           HA       ALA  71  10.451 -10.333  -5.512
  535   1HB   ALA  71           HB1      ALA  71  10.832  -8.330  -3.980
  536   2HB   ALA  71           HB2      ALA  71   9.092  -8.658  -4.232
  537   3HB   ALA  71           HB3      ALA  71   9.870  -9.187  -2.711
  538    H    ARG  72           HN       ARG  72  12.685  -9.315  -4.491
  539    HA   ARG  72           HA       ARG  72  14.083 -11.526  -3.138
  540   1HB   ARG  72           HB1      ARG  72  15.196  -9.313  -4.949
  541   2HB   ARG  72           HB2      ARG  72  16.153 -10.611  -4.163
  542   1HG   ARG  72           HG1      ARG  72  14.839 -12.336  -5.457
  543   2HG   ARG  72           HG2      ARG  72  13.969 -11.027  -6.311
  544   1HD   ARG  72           HD1      ARG  72  17.042 -11.460  -6.388
  545   2HD   ARG  72           HD2      ARG  72  15.867 -11.993  -7.662
  546    HE   ARG  72           HE       ARG  72  16.123  -9.114  -6.823
  547   1HH1  ARG  72          HH21      ARG  72  17.852 -10.335 -10.246
  548   2HH1  ARG  72          HH22      ARG  72  17.024 -11.518  -9.288
  549   1HH2  ARG  72          HH11      ARG  72  16.978  -7.572  -8.197
  550   2HH2  ARG  72          HH12      ARG  72  17.825  -8.075  -9.622
   
  No H/Q in entry =         550
  Start of MODEL   14
    1   1H    LEU   1           HT1      LEU   1  12.280   5.661   2.994
    2   2H    LEU   1           HT2      LEU   1  12.511   6.013   4.640
    3   3H    LEU   1           HT3      LEU   1  12.123   4.432   4.156
    4    HA   LEU   1           HA       LEU   1  10.290   5.504   5.108
    5   1HB   LEU   1           HB1      LEU   1   9.188   7.481   4.052
    6   2HB   LEU   1           HB2      LEU   1  10.798   7.787   4.720
    7    HG   LEU   1           HG       LEU   1  11.686   7.487   2.256
    8   1HD1  LEU   1          HD11      LEU   1   8.716   8.098   1.664
    9   2HD1  LEU   1          HD12      LEU   1  10.071   8.266   0.491
   10   3HD1  LEU   1          HD13      LEU   1   9.644   6.651   1.124
   11   1HD2  LEU   1          HD21      LEU   1  10.041   9.961   3.067
   12   2HD2  LEU   1          HD22      LEU   1  11.739   9.599   3.550
   13   3HD2  LEU   1          HD23      LEU   1  11.344   9.902   1.821
   14    H    CYS   2           HN       CYS   2   8.055   5.126   4.385
   15    HA   CYS   2           HA       CYS   2   7.682   2.998   2.678
   16   1HB   CYS   2           HB1      CYS   2   6.311   3.366   4.731
   17   2HB   CYS   2           HB2      CYS   2   5.654   4.900   3.977
   18    H    LEU   3           HN       LEU   3   7.175   3.023   0.460
   19    HA   LEU   3           HA       LEU   3   7.257   5.679  -0.638
   20   1HB   LEU   3           HB1      LEU   3   7.762   2.898  -1.711
   21   2HB   LEU   3           HB2      LEU   3   7.786   4.299  -2.840
   22    HG   LEU   3           HG       LEU   3   9.577   4.101  -0.368
   23   1HD1  LEU   3          HD11      LEU   3  11.458   3.505  -1.908
   24   2HD1  LEU   3          HD12      LEU   3  10.165   2.253  -1.921
   25   3HD1  LEU   3          HD13      LEU   3  10.306   3.415  -3.292
   26   1HD2  LEU   3          HD21      LEU   3  10.901   5.920  -1.428
   27   2HD2  LEU   3          HD22      LEU   3   9.749   5.975  -2.815
   28   3HD2  LEU   3          HD23      LEU   3   9.201   6.436  -1.165
   29    H    VAL   4           HN       VAL   4   4.984   4.200   0.464
   30    HA   VAL   4           HA       VAL   4   3.100   4.228  -1.794
   31    HB   VAL   4           HB       VAL   4   2.795   2.594   0.760
   32   1HG1  VAL   4          HG21      VAL   4   1.333   2.352  -1.896
   33   2HG1  VAL   4          HG22      VAL   4   1.056   1.386  -0.387
   34   3HG1  VAL   4          HG23      VAL   4   0.707   3.156  -0.405
   35   1HG2  VAL   4          HG11      VAL   4   4.012   1.675  -1.877
   36   2HG2  VAL   4          HG12      VAL   4   4.825   1.838  -0.286
   37   3HG2  VAL   4          HG13      VAL   4   3.533   0.610  -0.485
   38    H    CYS   5           HN       CYS   5   3.088   4.430   1.765
   39    HA   CYS   5           HA       CYS   5   1.047   6.567   1.490
   40   1HB   CYS   5           HB1      CYS   5   0.036   6.054   3.530
   41   2HB   CYS   5           HB2      CYS   5   0.104   4.608   2.527
   42    H    SER   6           HN       SER   6   4.047   6.492   1.423
   43    HA   SER   6           HA       SER   6   5.773   7.726   2.127
   44   1HB   SER   6           HB1      SER   6   3.875  10.014   1.970
   45   2HB   SER   6           HB2      SER   6   5.600   9.945   1.410
   46    HG   SER   6           HG1      SER   6   4.127   9.802  -0.273
   47    H    ASP   7           HN       ASP   7   5.379   6.561   4.244
   48    HA   ASP   7           HA       ASP   7   5.342   8.467   6.517
   49   1HB   ASP   7           HB1      ASP   7   3.303   6.931   6.171
   50   2HB   ASP   7           HB2      ASP   7   4.377   5.524   6.209
   51    H    GLU   8           HN       GLU   8   6.732   7.402   8.392
   52    HA   GLU   8           HA       GLU   8   9.215   6.695   7.401
   53   1HB   GLU   8           HB1      GLU   8   8.710   6.074  10.285
   54   2HB   GLU   8           HB2      GLU   8  10.086   6.880   9.474
   55   1HG   GLU   8           HG1      GLU   8   8.505   8.930   9.140
   56   2HG   GLU   8           HG2      GLU   8   7.276   8.057  10.117
   57    H    ALA   9           HN       ALA   9   9.912   4.778   6.574
   58    HA   ALA   9           HA       ALA   9   8.351   2.410   7.023
   59   1HB   ALA   9           HB1      ALA   9  10.178   1.393   5.367
   60   2HB   ALA   9           HB2      ALA   9   8.946   2.498   4.714
   61   3HB   ALA   9           HB3      ALA   9  10.617   3.099   5.106
   62    H    SER  10           HN       SER  10   9.198   0.392   7.658
   63    HA   SER  10           HA       SER  10  11.111   0.650   9.789
   64   1HB   SER  10           HB1      SER  10  10.367  -1.709  10.384
   65   2HB   SER  10           HB2      SER  10   9.104  -0.440  10.457
   66    HG   SER  10           HG1      SER  10   8.406  -2.312   9.424
   67    H    GLY  11           HN       GLY  11  10.705  -0.932   6.624
   68   1HA   GLY  11           HA1      GLY  11  13.354  -1.107   5.993
   69   2HA   GLY  11           HA2      GLY  11  12.848  -2.704   6.721
   70    H    CYS  12           HN       CYS  12  13.456  -2.977   4.087
   71    HA   CYS  12           HA       CYS  12  11.083  -2.449   2.502
   72   1HB   CYS  12           HB1      CYS  12  12.350  -3.473   0.604
   73   2HB   CYS  12           HB2      CYS  12  13.091  -2.023   1.313
   74    HG1  CYS  12           HG1      CYS  12  14.773  -3.336   2.893
   75    H    HIS  13           HN       HIS  13   9.707  -4.049   1.572
   76    HA   HIS  13           HA       HIS  13  10.043  -6.773   2.545
   77   1HB   HIS  13           HB1      HIS  13   7.375  -5.268   2.974
   78   2HB   HIS  13           HB2      HIS  13   7.813  -6.945   3.435
   79    HD2  HIS  13           HD2      HIS  13   9.423  -7.184   5.778
   80    HE1  HIS  13           HE1      HIS  13   8.933  -3.130   6.893
   81    HE2  HIS  13           HE2      HIS  13   9.748  -5.435   7.641
   82    H    TYR  14           HN       TYR  14   9.635  -8.047   0.827
   83    HA   TYR  14           HA       TYR  14   8.836  -8.819  -1.010
   84   1HB   TYR  14           HB1      TYR  14   6.757  -6.590  -1.243
   85   2HB   TYR  14           HB2      TYR  14   6.669  -8.063  -2.057
   86    HD1  TYR  14           HD1      TYR  14   7.419 -10.250  -0.187
   87    HD2  TYR  14           HD2      TYR  14   4.881  -6.853   0.343
   88    HE1  TYR  14           HE1      TYR  14   6.460 -11.307   1.781
   89    HE2  TYR  14           HE2      TYR  14   3.904  -7.914   2.316
   90    HH   TYR  14           HH       TYR  14   4.969 -11.138   3.466
   91    H    GLY  15           HN       GLY  15   8.085  -6.038  -2.822
   92   1HA   GLY  15           HA1      GLY  15  10.849  -6.050  -3.873
   93   2HA   GLY  15           HA2      GLY  15   9.327  -5.601  -4.701
   94    H    VAL  16           HN       VAL  16   8.918  -4.007  -1.806
   95    HA   VAL  16           HA       VAL  16  10.467  -1.659  -2.735
   96    HB   VAL  16           HB       VAL  16   7.535  -1.739  -1.963
   97   1HG1  VAL  16          HG21      VAL  16   9.060   0.659  -3.078
   98   2HG1  VAL  16          HG22      VAL  16   7.269   0.510  -2.899
   99   3HG1  VAL  16          HG23      VAL  16   8.293   0.502  -1.437
  100   1HG2  VAL  16          HG11      VAL  16   8.743  -1.276  -4.776
  101   2HG2  VAL  16          HG12      VAL  16   7.920  -2.771  -4.229
  102   3HG2  VAL  16          HG13      VAL  16   6.990  -1.245  -4.356
  103    H    LEU  17           HN       LEU  17  10.780  -0.137  -1.336
  104    HA   LEU  17           HA       LEU  17  11.109  -0.700   1.426
  105   1HB   LEU  17           HB1      LEU  17  12.737   0.716   0.159
  106   2HB   LEU  17           HB2      LEU  17  11.482   1.960  -0.050
  107    HG   LEU  17           HG       LEU  17  11.380   2.231   2.470
  108   1HD1  LEU  17          HD11      LEU  17  13.208   1.331   3.897
  109   2HD1  LEU  17          HD12      LEU  17  12.168   0.035   3.219
  110   3HD1  LEU  17          HD13      LEU  17  13.803   0.332   2.517
  111   1HD2  LEU  17          HD21      LEU  17  13.522   3.489   2.682
  112   2HD2  LEU  17          HD22      LEU  17  14.151   2.687   1.197
  113   3HD2  LEU  17          HD23      LEU  17  12.724   3.785   1.095
  114    H    THR  18           HN       THR  18   9.098  -1.073   2.377
  115    HA   THR  18           HA       THR  18   7.102   1.105   2.251
  116    HB   THR  18           HB       THR  18   5.587  -1.127   2.961
  117    HG1  THR  18           HG1      THR  18   6.335  -2.944   1.955
  118   1HG2  THR  18          HG21      THR  18   4.910  -1.550   0.709
  119   2HG2  THR  18          HG22      THR  18   5.179   0.210   0.974
  120   3HG2  THR  18          HG23      THR  18   6.399  -0.756   0.035
  121    H    CYS  19           HN       CYS  19   5.523   0.773   4.143
  122    HA   CYS  19           HA       CYS  19   7.168   0.985   6.481
  123   1HB   CYS  19           HB1      CYS  19   5.316   1.726   7.789
  124   2HB   CYS  19           HB2      CYS  19   5.595   2.701   6.414
  125    H    GLY  20           HN       GLY  20   5.317  -0.023   8.468
  126   1HA   GLY  20           HA1      GLY  20   5.975  -2.842   8.370
  127   2HA   GLY  20           HA2      GLY  20   5.164  -1.900   9.676
  128    H    SER  21           HN       SER  21   3.089  -0.758   8.350
  129    HA   SER  21           HA       SER  21   1.202  -2.819   8.247
  130   1HB   SER  21           HB1      SER  21   0.901  -0.413   9.094
  131   2HB   SER  21           HB2      SER  21   0.783   0.107   7.381
  132    HG   SER  21           HG1      SER  21  -1.218  -0.295   8.404
  133    H    CYS  22           HN       CYS  22   2.753  -0.940   5.559
  134    HA   CYS  22           HA       CYS  22   0.951  -1.727   3.598
  135   1HB   CYS  22           HB1      CYS  22   3.673  -0.470   3.391
  136   2HB   CYS  22           HB2      CYS  22   2.792  -1.005   1.924
  137    H    LYS  23           HN       LYS  23   3.547  -3.369   5.014
  138    HA   LYS  23           HA       LYS  23   4.063  -5.284   3.089
  139   1HB   LYS  23           HB1      LYS  23   5.534  -4.909   5.077
  140   2HB   LYS  23           HB2      LYS  23   4.237  -5.499   6.143
  141   1HG   LYS  23           HG1      LYS  23   4.400  -7.778   4.878
  142   2HG   LYS  23           HG2      LYS  23   5.876  -7.123   4.114
  143   1HD   LYS  23           HD1      LYS  23   6.884  -6.817   6.419
  144   2HD   LYS  23           HD2      LYS  23   5.376  -7.425   7.143
  145   1HE   LYS  23           HE1      LYS  23   7.109  -9.217   7.098
  146   2HE   LYS  23           HE2      LYS  23   5.695  -9.666   6.073
  147   1HZ   LYS  23           HZ1      LYS  23   8.282  -8.576   5.133
  148   2HZ   LYS  23           HZ2      LYS  23   7.733 -10.180   5.015
  149   3HZ   LYS  23           HZ3      LYS  23   6.943  -8.947   4.157
  150    H    VAL  24           HN       VAL  24   2.143  -5.482   6.016
  151    HA   VAL  24           HA       VAL  24   0.920  -7.902   5.545
  152    HB   VAL  24           HB       VAL  24  -0.080  -5.595   7.347
  153   1HG1  VAL  24          HG21      VAL  24  -0.436  -8.632   7.744
  154   2HG1  VAL  24          HG22      VAL  24  -0.945  -7.322   8.890
  155   3HG1  VAL  24          HG23      VAL  24  -1.718  -7.457   7.269
  156   1HG2  VAL  24          HG11      VAL  24   2.112  -7.644   8.016
  157   2HG2  VAL  24          HG12      VAL  24   2.279  -5.853   7.851
  158   3HG2  VAL  24          HG13      VAL  24   1.322  -6.533   9.198
  159    H    PHE  25           HN       PHE  25  -0.084  -4.712   4.826
  160    HA   PHE  25           HA       PHE  25  -2.727  -4.922   4.157
  161   1HB   PHE  25           HB1      PHE  25  -1.500  -2.789   4.477
  162   2HB   PHE  25           HB2      PHE  25  -0.371  -3.208   3.181
  163    HD1  PHE  25           HD2      PHE  25  -4.167  -2.756   3.564
  164    HD2  PHE  25           HD1      PHE  25  -0.602  -2.239   1.203
  165    HE1  PHE  25           HE2      PHE  25  -5.505  -1.776   1.729
  166    HE2  PHE  25           HE1      PHE  25  -1.907  -1.310  -0.598
  167    HZ   PHE  25           HZ       PHE  25  -4.392  -1.088  -0.391
  168    H    PHE  26           HN       PHE  26   0.143  -4.919   2.151
  169    HA   PHE  26           HA       PHE  26  -0.950  -5.491  -0.299
  170   1HB   PHE  26           HB1      PHE  26   1.330  -4.464  -0.012
  171   2HB   PHE  26           HB2      PHE  26   1.916  -5.985   0.698
  172    HD1  PHE  26           HD1      PHE  26   0.177  -4.812  -2.495
  173    HD2  PHE  26           HD2      PHE  26   3.047  -7.435  -0.686
  174    HE1  PHE  26           HE1      PHE  26   0.893  -5.569  -4.727
  175    HE2  PHE  26           HE2      PHE  26   3.815  -8.131  -2.908
  176    HZ   PHE  26           HZ       PHE  26   2.734  -7.287  -4.940
  177    H    LYS  27           HN       LYS  27   0.553  -7.638   2.025
  178    HA   LYS  27           HA       LYS  27   0.399  -9.942   0.434
  179   1HB   LYS  27           HB1      LYS  27   2.166  -9.756   1.948
  180   2HB   LYS  27           HB2      LYS  27   1.090  -9.554   3.357
  181   1HG   LYS  27           HG1      LYS  27   0.725 -12.174   1.876
  182   2HG   LYS  27           HG2      LYS  27   2.379 -11.888   2.455
  183   1HD   LYS  27           HD1      LYS  27   1.163 -13.146   4.140
  184   2HD   LYS  27           HD2      LYS  27   1.606 -11.531   4.773
  185   1HE   LYS  27           HE1      LYS  27  -0.770 -10.731   4.401
  186   2HE   LYS  27           HE2      LYS  27  -1.207 -12.369   3.767
  187   1HZ   LYS  27           HZ1      LYS  27  -0.206 -11.717   6.472
  188   2HZ   LYS  27           HZ2      LYS  27  -1.795 -12.123   6.030
  189   3HZ   LYS  27           HZ3      LYS  27  -0.554 -13.275   5.891
  190    H    ARG  28           HN       ARG  28  -2.016  -8.422   2.449
  191    HA   ARG  28           HA       ARG  28  -3.803 -10.700   2.318
  192   1HB   ARG  28           HB1      ARG  28  -3.667  -8.189   3.856
  193   2HB   ARG  28           HB2      ARG  28  -5.258  -8.312   3.090
  194   1HG   ARG  28           HG1      ARG  28  -5.451  -9.274   5.254
  195   2HG   ARG  28           HG2      ARG  28  -5.580 -10.598   4.052
  196   1HD   ARG  28           HD1      ARG  28  -3.203 -11.294   4.538
  197   2HD   ARG  28           HD2      ARG  28  -3.011  -9.884   5.651
  198    HE   ARG  28           HE       ARG  28  -4.611 -10.858   7.160
  199   1HH1  ARG  28          HH21      ARG  28  -5.416 -14.180   5.026
  200   2HH1  ARG  28          HH22      ARG  28  -4.282 -13.046   4.368
  201   1HH2  ARG  28          HH11      ARG  28  -6.341 -13.832   7.153
  202   2HH2  ARG  28          HH12      ARG  28  -5.896 -12.440   8.082
  203    H    ALA  29           HN       ALA  29  -3.274  -7.580   0.858
  204    HA   ALA  29           HA       ALA  29  -5.572  -7.336  -0.667
  205   1HB   ALA  29           HB1      ALA  29  -4.388  -5.489  -1.838
  206   2HB   ALA  29           HB2      ALA  29  -4.060  -5.416  -0.083
  207   3HB   ALA  29           HB3      ALA  29  -2.812  -6.096  -1.175
  208    H    VAL  30           HN       VAL  30  -2.871  -9.337  -1.205
  209    HA   VAL  30           HA       VAL  30  -3.275  -9.540  -4.100
  210    HB   VAL  30           HB       VAL  30  -1.018 -10.512  -2.303
  211   1HG1  VAL  30          HG21      VAL  30  -1.140 -10.601  -5.383
  212   2HG1  VAL  30          HG22      VAL  30   0.179 -11.232  -4.311
  213   3HG1  VAL  30          HG23      VAL  30  -1.450 -12.019  -4.323
  214   1HG2  VAL  30          HG11      VAL  30  -0.617  -8.447  -4.520
  215   2HG2  VAL  30          HG12      VAL  30  -1.180  -7.929  -2.909
  216   3HG2  VAL  30          HG13      VAL  30   0.374  -8.804  -3.052
  217    H    GLU  31           HN       GLU  31  -2.215 -11.897  -1.719
  218    HA   GLU  31           HA       GLU  31  -4.093 -13.876  -2.786
  219   1HB   GLU  31           HB1      GLU  31  -1.603 -14.287  -1.053
  220   2HB   GLU  31           HB2      GLU  31  -2.700 -15.581  -1.651
  221   1HG   GLU  31           HG1      GLU  31  -2.151 -14.820  -4.053
  222   2HG   GLU  31           HG2      GLU  31  -0.887 -13.749  -3.352
  223    H    GLY  32           HN       GLY  32  -5.550 -12.286  -1.532
  224   1HA   GLY  32           HA1      GLY  32  -6.598 -13.841   0.635
  225   2HA   GLY  32           HA2      GLY  32  -5.868 -12.268   1.180
  226    H    GLN  33           HN       GLN  33  -7.852 -11.383   1.840
  227    HA   GLN  33           HA       GLN  33  -9.803 -10.809  -0.285
  228   1HB   GLN  33           HB1      GLN  33 -11.328 -10.079   1.467
  229   2HB   GLN  33           HB2      GLN  33 -10.919 -11.800   1.639
  230   1HG   GLN  33           HG1      GLN  33  -9.674 -11.517   3.631
  231   2HG   GLN  33           HG2      GLN  33  -9.305  -9.796   3.326
  232   1HE2  GLN  33          HE21      GLN  33 -11.267  -8.276   3.193
  233   2HE2  GLN  33          HE22      GLN  33 -12.501  -8.493   4.393
  234    H    HIS  34           HN       HIS  34 -10.316  -8.596  -0.671
  235    HA   HIS  34           HA       HIS  34  -8.377  -6.692   0.447
  236   1HB   HIS  34           HB1      HIS  34  -9.092  -5.967  -2.298
  237   2HB   HIS  34           HB2      HIS  34  -7.520  -6.129  -1.500
  238    HD2  HIS  34           HD2      HIS  34  -6.953  -9.261  -1.200
  239    HE1  HIS  34           HE1      HIS  34  -8.250  -9.560  -5.211
  240    HE2  HIS  34           HE2      HIS  34  -6.954 -10.691  -3.323
  241    H    ASN  35           HN       ASN  35 -10.978  -6.092  -1.903
  242    HA   ASN  35           HA       ASN  35 -12.597  -4.756  -1.981
  243   1HB   ASN  35           HB1      ASN  35 -14.558  -4.972  -0.444
  244   2HB   ASN  35           HB2      ASN  35 -13.979  -6.432  -1.272
  245   1HD2  ASN  35          HD21      ASN  35 -13.302  -8.304   1.657
  246   2HD2  ASN  35          HD22      ASN  35 -13.221  -8.212  -0.071
  247    H    TYR  36           HN       TYR  36 -11.451  -2.868  -2.083
  248    HA   TYR  36           HA       TYR  36 -11.628  -1.140   0.274
  249   1HB   TYR  36           HB1      TYR  36  -9.551  -0.779  -1.881
  250   2HB   TYR  36           HB2      TYR  36  -9.606  -0.034  -0.239
  251    HD1  TYR  36           HD1      TYR  36  -9.770  -2.078   1.659
  252    HD2  TYR  36           HD2      TYR  36  -7.827  -2.305  -2.177
  253    HE1  TYR  36           HE1      TYR  36  -8.244  -3.797   2.533
  254    HE2  TYR  36           HE2      TYR  36  -6.288  -4.005  -1.294
  255    HH   TYR  36           HH       TYR  36  -6.526  -5.157   2.113
  256    H    LEU  37           HN       LEU  37 -11.900  -1.327  -3.293
  257    HA   LEU  37           HA       LEU  37 -13.240  -0.406  -4.669
  258   1HB   LEU  37           HB1      LEU  37 -14.618   1.241  -2.499
  259   2HB   LEU  37           HB2      LEU  37 -15.204   0.963  -4.163
  260    HG   LEU  37           HG       LEU  37 -14.834  -1.211  -2.009
  261   1HD1  LEU  37          HD11      LEU  37 -17.304  -1.214  -1.838
  262   2HD1  LEU  37          HD12      LEU  37 -16.622   0.394  -1.409
  263   3HD1  LEU  37          HD13      LEU  37 -17.405   0.152  -3.016
  264   1HD2  LEU  37          HD21      LEU  37 -16.150  -2.679  -3.543
  265   2HD2  LEU  37          HD22      LEU  37 -16.125  -1.389  -4.805
  266   3HD2  LEU  37          HD23      LEU  37 -14.592  -2.179  -4.281
  267    H    CYS  38           HN       CYS  38 -11.626   0.626  -5.860
  268    HA   CYS  38           HA       CYS  38 -12.116   3.228  -6.454
  269   1HB   CYS  38           HB1      CYS  38 -10.482   3.253  -4.209
  270   2HB   CYS  38           HB2      CYS  38  -9.210   3.177  -5.431
  271    H    ALA  39           HN       ALA  39 -12.227   0.916  -7.505
  272    HA   ALA  39           HA       ALA  39  -9.921   0.072  -8.926
  273   1HB   ALA  39           HB1      ALA  39 -11.397  -1.755  -9.783
  274   2HB   ALA  39           HB2      ALA  39 -11.551  -1.566  -8.002
  275   3HB   ALA  39           HB3      ALA  39 -12.828  -0.895  -9.081
  276    H    GLY  40           HN       GLY  40 -12.465   2.274  -9.546
  277   1HA   GLY  40           HA1      GLY  40 -11.631   2.538 -12.347
  278   2HA   GLY  40           HA2      GLY  40 -13.367   2.235 -11.934
  279    H    ARG  41           HN       ARG  41 -11.211   4.094  -9.772
  280    HA   ARG  41           HA       ARG  41 -12.377   6.620 -10.671
  281   1HB   ARG  41           HB1      ARG  41 -11.875   5.532  -7.862
  282   2HB   ARG  41           HB2      ARG  41 -12.018   7.296  -8.202
  283   1HG   ARG  41           HG1      ARG  41 -14.330   7.167  -8.588
  284   2HG   ARG  41           HG2      ARG  41 -14.276   5.462  -9.115
  285   1HD   ARG  41           HD1      ARG  41 -15.434   5.641  -6.936
  286   2HD   ARG  41           HD2      ARG  41 -13.909   4.676  -6.778
  287    HE   ARG  41           HE       ARG  41 -12.855   6.856  -5.966
  288   1HH1  ARG  41          HH21      ARG  41 -15.683   5.815  -3.300
  289   2HH1  ARG  41          HH22      ARG  41 -15.992   5.507  -4.975
  290   1HH2  ARG  41          HH11      ARG  41 -13.731   6.939  -2.644
  291   2HH2  ARG  41          HH12      ARG  41 -12.584   7.466  -3.831
  292    H    ASN  42           HN       ASN  42 -10.109   5.843  -8.192
  293    HA   ASN  42           HA       ASN  42  -8.032   6.085  -7.769
  294   1HB   ASN  42           HB1      ASN  42  -7.488   4.600  -9.683
  295   2HB   ASN  42           HB2      ASN  42  -7.459   5.994 -10.795
  296   1HD2  ASN  42          HD21      ASN  42  -3.972   6.383 -10.290
  297   2HD2  ASN  42          HD22      ASN  42  -5.328   6.359 -11.368
  298    H    ASP  43           HN       ASP  43  -9.179   8.049  -7.065
  299    HA   ASP  43           HA       ASP  43  -8.391  10.496  -8.500
  300   1HB   ASP  43           HB1      ASP  43 -10.149  11.456  -6.625
  301   2HB   ASP  43           HB2      ASP  43 -10.529  10.988  -8.320
  302    H    CYS  44           HN       CYS  44  -8.892   9.229  -5.099
  303    HA   CYS  44           HA       CYS  44  -7.765  11.299  -3.976
  304   1HB   CYS  44           HB1      CYS  44  -7.437   9.109  -2.089
  305   2HB   CYS  44           HB2      CYS  44  -8.721  10.313  -2.221
  306    H    ILE  45           HN       ILE  45  -5.793  11.539  -2.638
  307    HA   ILE  45           HA       ILE  45  -3.419  10.265  -3.788
  308    HB   ILE  45           HB       ILE  45  -3.727  12.657  -1.877
  309   1HG1  ILE  45          HG11      ILE  45  -4.653  13.238  -4.065
  310   2HG1  ILE  45          HG12      ILE  45  -3.163  14.146  -3.711
  311   1HG2  ILE  45          HG21      ILE  45  -1.320  13.172  -2.363
  312   2HG2  ILE  45          HG22      ILE  45  -1.509  11.600  -1.518
  313   3HG2  ILE  45          HG23      ILE  45  -1.175  11.630  -3.282
  314   1HD1  ILE  45           HD1      ILE  45  -3.239  13.435  -6.094
  315   2HD1  ILE  45           HD2      ILE  45  -1.857  12.644  -5.260
  316   3HD1  ILE  45           HD3      ILE  45  -3.357  11.706  -5.613
  317    H    ILE  46           HN       ILE  46  -2.061   9.041  -2.410
  318    HA   ILE  46           HA       ILE  46  -3.096   8.439   0.280
  319    HB   ILE  46           HB       ILE  46  -2.506   6.675  -2.034
  320   1HG1  ILE  46          HG11      ILE  46  -4.021   5.144  -0.993
  321   2HG1  ILE  46          HG12      ILE  46  -3.872   5.913   0.615
  322   1HG2  ILE  46          HG21      ILE  46  -1.729   4.731  -0.742
  323   2HG2  ILE  46          HG22      ILE  46  -0.469   5.990  -0.938
  324   3HG2  ILE  46          HG23      ILE  46  -1.283   5.792   0.661
  325   1HD1  ILE  46           HD1      ILE  46  -6.028   6.282  -0.708
  326   2HD1  ILE  46           HD2      ILE  46  -5.255   7.764  -0.032
  327   3HD1  ILE  46           HD3      ILE  46  -5.093   7.356  -1.802
  328    H    ASP  47           HN       ASP  47  -1.850   9.213   1.712
  329    HA   ASP  47           HA       ASP  47   0.956   8.893   1.587
  330   1HB   ASP  47           HB1      ASP  47   1.690  11.120   1.982
  331   2HB   ASP  47           HB2      ASP  47   0.972  10.981   0.364
  332    H    LYS  48           HN       LYS  48   1.482  10.440   3.871
  333    HA   LYS  48           HA       LYS  48   0.630   8.690   5.783
  334   1HB   LYS  48           HB1      LYS  48   2.744  10.161   5.532
  335   2HB   LYS  48           HB2      LYS  48   1.876  11.407   6.442
  336   1HG   LYS  48           HG1      LYS  48   1.982   8.567   7.587
  337   2HG   LYS  48           HG2      LYS  48   3.517   9.464   7.492
  338   1HD   LYS  48           HD1      LYS  48   1.034  10.532   8.980
  339   2HD   LYS  48           HD2      LYS  48   2.336   9.568   9.724
  340   1HE   LYS  48           HE1      LYS  48   4.026  11.329   9.138
  341   2HE   LYS  48           HE2      LYS  48   2.735  12.323   8.355
  342   1HZ   LYS  48           HZ1      LYS  48   1.616  12.447  10.439
  343   2HZ   LYS  48           HZ2      LYS  48   2.784  11.466  11.185
  344   3HZ   LYS  48           HZ3      LYS  48   3.217  12.997  10.589
  345    H    ILE  49           HN       ILE  49  -1.231  11.224   4.634
  346    HA   ILE  49           HA       ILE  49  -2.740  11.499   7.142
  347    HB   ILE  49           HB       ILE  49  -2.188  13.406   4.829
  348   1HG1  ILE  49          HG11      ILE  49  -0.406  13.438   6.459
  349   2HG1  ILE  49          HG12      ILE  49  -1.315  14.969   6.498
  350   1HG2  ILE  49          HG21      ILE  49  -3.705  15.100   5.901
  351   2HG2  ILE  49          HG22      ILE  49  -4.554  13.646   5.254
  352   3HG2  ILE  49          HG23      ILE  49  -4.295  13.809   7.030
  353   1HD1  ILE  49           HD1      ILE  49  -0.737  14.273   8.796
  354   2HD1  ILE  49           HD2      ILE  49  -2.524  14.179   8.594
  355   3HD1  ILE  49           HD3      ILE  49  -1.527  12.676   8.570
  356    H    ARG  50           HN       ARG  50  -2.951  11.450   3.632
  357    HA   ARG  50           HA       ARG  50  -5.793  11.109   3.689
  358   1HB   ARG  50           HB1      ARG  50  -3.795  11.273   1.387
  359   2HB   ARG  50           HB2      ARG  50  -5.570  11.039   1.161
  360   1HG   ARG  50           HG1      ARG  50  -5.575  13.244   0.906
  361   2HG   ARG  50           HG2      ARG  50  -5.809  13.208   2.674
  362   1HD   ARG  50           HD1      ARG  50  -3.275  13.617   2.939
  363   2HD   ARG  50           HD2      ARG  50  -3.159  13.750   1.143
  364    HE   ARG  50           HE       ARG  50  -4.673  15.579   2.976
  365   1HH1  ARG  50          HH21      ARG  50  -4.855  16.192  -1.000
  366   2HH1  ARG  50          HH22      ARG  50  -3.982  14.807  -0.431
  367   1HH2  ARG  50          HH11      ARG  50  -5.759  17.727   0.510
  368   2HH2  ARG  50          HH12      ARG  50  -5.566  17.501   2.217
  369    H    ARG  51           HN       ARG  51  -3.491   8.843   4.194
  370    HA   ARG  51           HA       ARG  51  -4.420   6.787   2.495
  371   1HB   ARG  51           HB1      ARG  51  -3.137   5.171   3.489
  372   2HB   ARG  51           HB2      ARG  51  -2.156   6.630   3.421
  373   1HG   ARG  51           HG1      ARG  51  -3.509   5.376   5.905
  374   2HG   ARG  51           HG2      ARG  51  -1.780   5.332   5.477
  375   1HD   ARG  51           HD1      ARG  51  -1.605   7.821   5.839
  376   2HD   ARG  51           HD2      ARG  51  -3.362   7.884   6.252
  377    HE   ARG  51           HE       ARG  51  -2.941   6.528   8.194
  378   1HH1  ARG  51          HH21      ARG  51   1.028   6.059   7.682
  379   2HH1  ARG  51          HH22      ARG  51   0.171   7.020   6.524
  380   1HH2  ARG  51          HH11      ARG  51  -0.082   5.176   9.543
  381   2HH2  ARG  51          HH12      ARG  51  -1.772   5.475   9.779
  382    H    LYS  52           HN       LYS  52  -5.723   7.955   5.469
  383    HA   LYS  52           HA       LYS  52  -7.301   5.601   5.970
  384   1HB   LYS  52           HB1      LYS  52  -7.881   6.848   8.096
  385   2HB   LYS  52           HB2      LYS  52  -6.188   6.319   7.888
  386   1HG   LYS  52           HG1      LYS  52  -5.444   8.570   7.278
  387   2HG   LYS  52           HG2      LYS  52  -7.127   9.191   7.283
  388   1HD   LYS  52           HD1      LYS  52  -7.279   8.780   9.747
  389   2HD   LYS  52           HD2      LYS  52  -5.650   8.041   9.738
  390   1HE   LYS  52           HE1      LYS  52  -5.515  10.365  10.593
  391   2HE   LYS  52           HE2      LYS  52  -4.630  10.236   9.026
  392   1HZ   LYS  52           HZ1      LYS  52  -5.959  12.196   9.177
  393   2HZ   LYS  52           HZ2      LYS  52  -6.524  11.183   7.936
  394   3HZ   LYS  52           HZ3      LYS  52  -7.374  11.284   9.403
  395    H    ASN  53           HN       ASN  53  -7.672   7.335   3.705
  396    HA   ASN  53           HA       ASN  53 -10.430   8.214   4.073
  397   1HB   ASN  53           HB1      ASN  53  -8.452   9.242   1.909
  398   2HB   ASN  53           HB2      ASN  53 -10.164   9.696   2.049
  399   1HD2  ASN  53          HD21      ASN  53  -8.187  12.488   3.505
  400   2HD2  ASN  53          HD22      ASN  53  -8.333  11.704   1.971
  401    H    CYS  54           HN       CYS  54  -7.985   6.319   2.381
  402    HA   CYS  54           HA       CYS  54  -9.979   4.662   1.171
  403   1HB   CYS  54           HB1      CYS  54  -9.978   6.468  -0.464
  404   2HB   CYS  54           HB2      CYS  54  -8.208   6.543  -0.488
  405    HA   PRO  55           HA       PRO  55  -5.993   2.443   1.480
  406   1HB   PRO  55           HB1      PRO  55  -6.840   0.145   2.590
  407   2HB   PRO  55           HB2      PRO  55  -6.957   1.633   3.491
  408   1HG   PRO  55           HG1      PRO  55  -9.172   0.249   1.977
  409   2HG   PRO  55           HG2      PRO  55  -9.221   0.928   3.595
  410   1HD   PRO  55           HD1      PRO  55 -10.018   2.258   1.218
  411   2HD   PRO  55           HD2      PRO  55  -9.652   3.060   2.753
  412    H    ALA  56           HN       ALA  56  -7.721   2.709  -1.083
  413    HA   ALA  56           HA       ALA  56  -7.478   0.049  -2.206
  414   1HB   ALA  56           HB1      ALA  56  -9.081   0.760  -3.894
  415   2HB   ALA  56           HB2      ALA  56  -9.741   1.343  -2.302
  416   3HB   ALA  56           HB3      ALA  56  -8.888   2.475  -3.371
  417    H    CYS  57           HN       CYS  57  -6.884   3.549  -2.734
  418    HA   CYS  57           HA       CYS  57  -5.302   3.463  -4.940
  419   1HB   CYS  57           HB1      CYS  57  -5.574   5.332  -2.593
  420   2HB   CYS  57           HB2      CYS  57  -4.420   5.708  -3.868
  421    H    ARG  58           HN       ARG  58  -4.508   2.961  -1.618
  422    HA   ARG  58           HA       ARG  58  -1.810   2.997  -1.533
  423   1HB   ARG  58           HB1      ARG  58  -3.921   1.244  -0.147
  424   2HB   ARG  58           HB2      ARG  58  -2.195   1.047   0.283
  425   1HG   ARG  58           HG1      ARG  58  -3.169   3.846   0.374
  426   2HG   ARG  58           HG2      ARG  58  -3.982   2.770   1.521
  427   1HD   ARG  58           HD1      ARG  58  -0.905   2.999   1.300
  428   2HD   ARG  58           HD2      ARG  58  -1.899   3.928   2.478
  429    HE   ARG  58           HE       ARG  58  -1.551   0.948   2.393
  430   1HH1  ARG  58          HH21      ARG  58  -4.021   2.518   5.153
  431   2HH1  ARG  58          HH22      ARG  58  -3.291   3.597   4.012
  432   1HH2  ARG  58          HH11      ARG  58  -3.449   0.253   5.176
  433   2HH2  ARG  58          HH12      ARG  58  -2.291  -0.373   4.051
  434    H    TYR  59           HN       TYR  59  -4.001   0.398  -2.679
  435    HA   TYR  59           HA       TYR  59  -1.982  -1.602  -2.820
  436   1HB   TYR  59           HB1      TYR  59  -4.420  -2.107  -2.462
  437   2HB   TYR  59           HB2      TYR  59  -4.779  -1.478  -4.092
  438    HD1  TYR  59           HD2      TYR  59  -2.052  -3.856  -2.844
  439    HD2  TYR  59           HD1      TYR  59  -5.400  -3.225  -5.477
  440    HE1  TYR  59           HE2      TYR  59  -1.673  -6.071  -3.869
  441    HE2  TYR  59           HE1      TYR  59  -5.025  -5.443  -6.480
  442    HH   TYR  59           HH       TYR  59  -3.782  -7.309  -6.490
  443    H    ARG  60           HN       ARG  60  -3.528   0.703  -5.022
  444    HA   ARG  60           HA       ARG  60  -2.282  -0.095  -7.365
  445   1HB   ARG  60           HB1      ARG  60  -3.372   2.695  -6.729
  446   2HB   ARG  60           HB2      ARG  60  -3.131   1.982  -8.352
  447   1HG   ARG  60           HG1      ARG  60  -4.918   0.284  -7.885
  448   2HG   ARG  60           HG2      ARG  60  -5.089   0.900  -6.224
  449   1HD   ARG  60           HD1      ARG  60  -6.926   1.883  -7.401
  450   2HD   ARG  60           HD2      ARG  60  -5.721   3.202  -7.191
  451    HE   ARG  60           HE       ARG  60  -5.066   2.955  -9.507
  452   1HH1  ARG  60          HH21      ARG  60  -7.609  -0.031 -10.443
  453   2HH1  ARG  60          HH22      ARG  60  -7.599   0.550  -8.810
  454   1HH2  ARG  60          HH11      ARG  60  -6.266   0.989 -12.070
  455   2HH2  ARG  60          HH12      ARG  60  -5.253   2.331 -11.654
  456    H    LYS  61           HN       LYS  61  -1.407   2.232  -4.852
  457    HA   LYS  61           HA       LYS  61   0.636   3.481  -6.193
  458   1HB   LYS  61           HB1      LYS  61  -0.788   4.420  -4.349
  459   2HB   LYS  61           HB2      LYS  61  -0.046   3.278  -3.208
  460   1HG   LYS  61           HG1      LYS  61   0.994   5.343  -2.821
  461   2HG   LYS  61           HG2      LYS  61   2.212   4.426  -3.762
  462   1HD   LYS  61           HD1      LYS  61   1.195   5.697  -5.866
  463   2HD   LYS  61           HD2      LYS  61   0.360   6.717  -4.655
  464   1HE   LYS  61           HE1      LYS  61   2.400   7.895  -5.313
  465   2HE   LYS  61           HE2      LYS  61   2.696   7.263  -3.649
  466   1HZ   LYS  61           HZ1      LYS  61   4.544   6.907  -5.080
  467   2HZ   LYS  61           HZ2      LYS  61   3.864   5.413  -4.645
  468   3HZ   LYS  61           HZ3      LYS  61   3.597   6.049  -6.196
  469    H    CYS  62           HN       CYS  62   0.724   0.957  -3.737
  470    HA   CYS  62           HA       CYS  62   3.475   0.730  -3.633
  471   1HB   CYS  62           HB1      CYS  62   3.243  -1.209  -2.274
  472   2HB   CYS  62           HB2      CYS  62   2.029  -0.023  -1.814
  473    HG1  CYS  62           HG1      CYS  62   1.025  -2.385  -1.517
  474    H    LEU  63           HN       LEU  63   1.130  -0.878  -5.742
  475    HA   LEU  63           HA       LEU  63   2.893  -2.657  -6.944
  476   1HB   LEU  63           HB1      LEU  63   0.202  -1.487  -7.770
  477   2HB   LEU  63           HB2      LEU  63   1.088  -2.557  -8.896
  478    HG   LEU  63           HG       LEU  63   0.317  -3.389  -6.041
  479   1HD1  LEU  63          HD11      LEU  63  -1.512  -4.714  -7.081
  480   2HD1  LEU  63          HD12      LEU  63  -1.735  -2.954  -7.385
  481   3HD1  LEU  63          HD13      LEU  63  -1.120  -4.024  -8.698
  482   1HD2  LEU  63          HD21      LEU  63   0.746  -5.723  -6.947
  483   2HD2  LEU  63          HD22      LEU  63   1.403  -4.987  -8.450
  484   3HD2  LEU  63          HD23      LEU  63   2.223  -4.703  -6.870
  485    H    GLN  64           HN       GLN  64   2.021   0.745  -7.716
  486    HA   GLN  64           HA       GLN  64   3.429   0.911 -10.096
  487   1HB   GLN  64           HB1      GLN  64   2.471   3.004  -8.104
  488   2HB   GLN  64           HB2      GLN  64   3.410   3.499  -9.529
  489   1HG   GLN  64           HG1      GLN  64   0.801   1.850  -9.752
  490   2HG   GLN  64           HG2      GLN  64   0.834   3.642  -9.714
  491   1HE2  GLN  64          HE21      GLN  64   2.288   4.724 -11.417
  492   2HE2  GLN  64          HE22      GLN  64   2.349   4.010 -12.994
  493    H    ALA  65           HN       ALA  65   4.356   1.265  -6.783
  494    HA   ALA  65           HA       ALA  65   6.881   2.370  -7.126
  495   1HB   ALA  65           HB1      ALA  65   7.347   1.836  -4.780
  496   2HB   ALA  65           HB2      ALA  65   5.686   2.492  -4.959
  497   3HB   ALA  65           HB3      ALA  65   5.921   0.731  -4.731
  498    H    GLY  66           HN       GLY  66   5.756  -0.911  -7.220
  499   1HA   GLY  66           HA1      GLY  66   6.917  -2.270  -8.788
  500   2HA   GLY  66           HA2      GLY  66   8.466  -1.834  -7.982
  501    H    MET  67           HN       MET  67   5.510  -2.448  -6.126
  502    HA   MET  67           HA       MET  67   6.786  -4.373  -4.559
  503   1HB   MET  67           HB1      MET  67   3.892  -3.494  -4.697
  504   2HB   MET  67           HB2      MET  67   4.298  -4.987  -3.824
  505   1HG   MET  67           HG1      MET  67   6.163  -3.555  -2.611
  506   2HG   MET  67           HG2      MET  67   5.190  -2.148  -3.135
  507   1HE   MET  67           HE1      MET  67   5.578  -5.162  -0.722
  508   2HE   MET  67           HE2      MET  67   4.480  -4.526   0.579
  509   3HE   MET  67           HE3      MET  67   5.822  -3.491  -0.058
  510    H    ASN  68           HN       ASN  68   6.515  -6.689  -4.296
  511    HA   ASN  68           HA       ASN  68   4.735  -8.094  -5.938
  512   1HB   ASN  68           HB1      ASN  68   6.960  -7.472  -7.498
  513   2HB   ASN  68           HB2      ASN  68   7.622  -8.869  -6.665
  514   1HD2  ASN  68          HD21      ASN  68   4.700 -10.954  -8.085
  515   2HD2  ASN  68          HD22      ASN  68   4.889 -10.247  -6.507
  516    H    LEU  69           HN       LEU  69   4.345  -9.864  -4.776
  517    HA   LEU  69           HA       LEU  69   5.923 -10.379  -2.427
  518   1HB   LEU  69           HB1      LEU  69   3.724  -9.978  -1.859
  519   2HB   LEU  69           HB2      LEU  69   3.091 -10.775  -3.335
  520    HG   LEU  69           HG       LEU  69   3.530 -13.027  -2.276
  521   1HD1  LEU  69          HD11      LEU  69   3.960 -13.203   0.146
  522   2HD1  LEU  69          HD12      LEU  69   5.313 -12.276  -0.597
  523   3HD1  LEU  69          HD13      LEU  69   4.012 -11.411   0.306
  524   1HD2  LEU  69          HD21      LEU  69   1.575 -12.955  -0.790
  525   2HD2  LEU  69          HD22      LEU  69   1.676 -11.156  -0.713
  526   3HD2  LEU  69          HD23      LEU  69   1.298 -11.973  -2.273
  527    H    GLU  70           HN       GLU  70   6.799 -11.014  -5.074
  528    HA   GLU  70           HA       GLU  70   7.967 -13.532  -4.589
  529   1HB   GLU  70           HB1      GLU  70   6.480 -13.079  -7.244
  530   2HB   GLU  70           HB2      GLU  70   7.630 -14.416  -6.879
  531   1HG   GLU  70           HG1      GLU  70   6.010 -15.183  -5.027
  532   2HG   GLU  70           HG2      GLU  70   4.834 -13.956  -5.611
  533    H    ALA  71           HN       ALA  71   9.025 -11.433  -4.056
  534    HA   ALA  71           HA       ALA  71  10.666 -10.427  -6.280
  535   1HB   ALA  71           HB1      ALA  71  10.835  -8.262  -4.909
  536   2HB   ALA  71           HB2      ALA  71   9.200  -8.569  -5.550
  537   3HB   ALA  71           HB3      ALA  71   9.561  -8.935  -3.840
  538    H    ARG  72           HN       ARG  72  11.261  -9.431  -3.067
  539    HA   ARG  72           HA       ARG  72  13.360 -11.462  -2.617
  540   1HB   ARG  72           HB1      ARG  72  13.227  -8.473  -1.976
  541   2HB   ARG  72           HB2      ARG  72  14.215  -9.566  -0.970
  542   1HG   ARG  72           HG1      ARG  72  15.605  -8.443  -2.622
  543   2HG   ARG  72           HG2      ARG  72  15.631 -10.214  -2.812
  544   1HD   ARG  72           HD1      ARG  72  15.651  -9.028  -5.009
  545   2HD   ARG  72           HD2      ARG  72  14.195 -10.082  -4.837
  546    HE   ARG  72           HE       ARG  72  14.120  -7.124  -4.243
  547   1HH1  ARG  72          HH21      ARG  72  12.680  -8.481  -7.749
  548   2HH1  ARG  72          HH22      ARG  72  13.445  -9.616  -6.688
  549   1HH2  ARG  72          HH11      ARG  72  12.855  -5.740  -5.507
  550   2HH2  ARG  72          HH12      ARG  72  12.343  -6.270  -7.075
   
  No H/Q in entry =         550
  Start of MODEL   15
    1   1H    LEU   1           HT1      LEU   1  12.009   4.417   4.139
    2   2H    LEU   1           HT2      LEU   1  12.531   5.088   2.669
    3   3H    LEU   1           HT3      LEU   1  12.644   5.992   4.102
    4    HA   LEU   1           HA       LEU   1  10.296   6.006   4.323
    5   1HB   LEU   1           HB1      LEU   1  11.253   6.926   1.530
    6   2HB   LEU   1           HB2      LEU   1   9.732   7.465   2.299
    7    HG   LEU   1           HG       LEU   1  12.562   8.031   3.347
    8   1HD1  LEU   1          HD11      LEU   1  10.550   9.887   1.923
    9   2HD1  LEU   1          HD12      LEU   1  12.147  10.368   2.605
   10   3HD1  LEU   1          HD13      LEU   1  12.070   9.219   1.223
   11   1HD2  LEU   1          HD21      LEU   1  11.008   7.958   5.245
   12   2HD2  LEU   1          HD22      LEU   1  11.425   9.666   4.894
   13   3HD2  LEU   1          HD23      LEU   1   9.822   9.015   4.385
   14    H    CYS   2           HN       CYS   2   8.265   5.229   3.812
   15    HA   CYS   2           HA       CYS   2   7.796   2.974   2.291
   16   1HB   CYS   2           HB1      CYS   2   6.511   3.523   4.359
   17   2HB   CYS   2           HB2      CYS   2   5.868   5.023   3.528
   18    H    LEU   3           HN       LEU   3   7.112   2.867   0.107
   19    HA   LEU   3           HA       LEU   3   7.176   5.450  -1.182
   20   1HB   LEU   3           HB1      LEU   3   7.741   2.619  -2.056
   21   2HB   LEU   3           HB2      LEU   3   7.700   3.941  -3.281
   22    HG   LEU   3           HG       LEU   3   9.526   3.971  -0.822
   23   1HD1  LEU   3          HD11      LEU   3  11.436   3.426  -2.386
   24   2HD1  LEU   3          HD12      LEU   3  10.277   2.081  -2.169
   25   3HD1  LEU   3          HD13      LEU   3  10.239   3.063  -3.684
   26   1HD2  LEU   3          HD21      LEU   3  10.786   5.757  -2.051
   27   2HD2  LEU   3          HD22      LEU   3   9.574   5.696  -3.383
   28   3HD2  LEU   3          HD23      LEU   3   9.085   6.238  -1.736
   29    H    VAL   4           HN       VAL   4   4.977   4.120   0.108
   30    HA   VAL   4           HA       VAL   4   2.994   4.018  -2.069
   31    HB   VAL   4           HB       VAL   4   2.733   2.607   0.615
   32   1HG1  VAL   4          HG21      VAL   4   1.119   2.315  -1.952
   33   2HG1  VAL   4          HG22      VAL   4   0.911   1.357  -0.423
   34   3HG1  VAL   4          HG23      VAL   4   0.610   3.129  -0.425
   35   1HG2  VAL   4          HG11      VAL   4   3.862   1.451  -1.952
   36   2HG2  VAL   4          HG12      VAL   4   4.670   1.664  -0.370
   37   3HG2  VAL   4          HG13      VAL   4   3.314   0.491  -0.507
   38    H    CYS   5           HN       CYS   5   3.186   4.496   1.458
   39    HA   CYS   5           HA       CYS   5   1.140   6.612   1.147
   40   1HB   CYS   5           HB1      CYS   5   0.215   6.213   3.267
   41   2HB   CYS   5           HB2      CYS   5   0.214   4.724   2.334
   42    H    SER   6           HN       SER   6   4.126   6.441   0.984
   43    HA   SER   6           HA       SER   6   5.921   7.643   1.514
   44   1HB   SER   6           HB1      SER   6   4.104   9.980   1.139
   45   2HB   SER   6           HB2      SER   6   5.817   9.808   0.573
   46    HG   SER   6           HG1      SER   6   4.959   8.162  -0.807
   47    H    ASP   7           HN       ASP   7   5.754   6.781   3.728
   48    HA   ASP   7           HA       ASP   7   5.928   8.951   5.735
   49   1HB   ASP   7           HB1      ASP   7   3.778   7.502   5.728
   50   2HB   ASP   7           HB2      ASP   7   4.765   6.066   5.929
   51    H    GLU   8           HN       GLU   8   7.332   7.854   7.664
   52    HA   GLU   8           HA       GLU   8   9.707   6.933   6.575
   53   1HB   GLU   8           HB1      GLU   8   9.295   6.536   9.512
   54   2HB   GLU   8           HB2      GLU   8  10.719   7.126   8.625
   55   1HG   GLU   8           HG1      GLU   8   8.078   8.687   9.178
   56   2HG   GLU   8           HG2      GLU   8   9.598   8.844  10.104
   57    H    ALA   9           HN       ALA   9  10.280   4.901   5.882
   58    HA   ALA   9           HA       ALA   9   8.529   2.720   6.495
   59   1HB   ALA   9           HB1      ALA   9  10.333   1.422   4.992
   60   2HB   ALA   9           HB2      ALA   9   9.162   2.525   4.228
   61   3HB   ALA   9           HB3      ALA   9  10.859   3.074   4.583
   62    H    SER  10           HN       SER  10   9.288   0.615   7.227
   63    HA   SER  10           HA       SER  10  11.527   0.799   9.110
   64   1HB   SER  10           HB1      SER  10  10.200  -0.638  10.695
   65   2HB   SER  10           HB2      SER  10   9.517   0.994  10.433
   66    HG   SER  10           HG1      SER  10   7.929  -0.539  10.343
   67    H    GLY  11           HN       GLY  11  11.789  -0.036   6.422
   68   1HA   GLY  11           HA1      GLY  11  13.309  -1.652   5.807
   69   2HA   GLY  11           HA2      GLY  11  12.460  -2.884   6.814
   70    H    CYS  12           HN       CYS  12  13.155  -3.046   3.972
   71    HA   CYS  12           HA       CYS  12  10.713  -2.720   2.495
   72   1HB   CYS  12           HB1      CYS  12  12.008  -3.758   0.597
   73   2HB   CYS  12           HB2      CYS  12  12.735  -2.280   1.262
   74    HG1  CYS  12           HG1      CYS  12  14.463  -3.524   2.850
   75    H    HIS  13           HN       HIS  13   9.405  -4.446   1.606
   76    HA   HIS  13           HA       HIS  13   9.951  -7.138   2.495
   77   1HB   HIS  13           HB1      HIS  13   7.431  -5.628   3.490
   78   2HB   HIS  13           HB2      HIS  13   7.641  -7.412   3.491
   79    HD2  HIS  13           HD2      HIS  13   9.223  -8.538   5.440
   80    HE1  HIS  13           HE1      HIS  13   9.914  -4.931   7.540
   81    HE2  HIS  13           HE2      HIS  13  10.171  -7.473   7.580
   82    H    TYR  14           HN       TYR  14   9.315  -8.402   0.841
   83    HA   TYR  14           HA       TYR  14   8.273  -9.171  -0.849
   84   1HB   TYR  14           HB1      TYR  14   6.338  -6.808  -1.080
   85   2HB   TYR  14           HB2      TYR  14   6.130  -8.354  -1.819
   86    HD1  TYR  14           HD1      TYR  14   6.642 -10.511  -0.015
   87    HD2  TYR  14           HD2      TYR  14   4.771  -6.770   0.815
   88    HE1  TYR  14           HE1      TYR  14   5.816 -11.429   2.076
   89    HE2  TYR  14           HE2      TYR  14   3.960  -7.674   2.935
   90    HH   TYR  14           HH       TYR  14   3.866  -9.406   4.334
   91    H    GLY  15           HN       GLY  15   7.703  -6.405  -2.732
   92   1HA   GLY  15           HA1      GLY  15  10.395  -6.683  -3.849
   93   2HA   GLY  15           HA2      GLY  15   8.928  -5.977  -4.573
   94    H    VAL  16           HN       VAL  16   8.716  -4.204  -1.854
   95    HA   VAL  16           HA       VAL  16  10.748  -2.246  -2.757
   96    HB   VAL  16           HB       VAL  16   7.804  -1.648  -2.250
   97   1HG1  VAL  16          HG21      VAL  16   9.918   0.161  -3.498
   98   2HG1  VAL  16          HG22      VAL  16   8.135   0.423  -3.568
   99   3HG1  VAL  16          HG23      VAL  16   8.942   0.419  -1.983
  100   1HG2  VAL  16          HG11      VAL  16   9.119  -1.840  -5.033
  101   2HG2  VAL  16          HG12      VAL  16   8.036  -3.081  -4.316
  102   3HG2  VAL  16          HG13      VAL  16   7.395  -1.447  -4.649
  103    H    LEU  17           HN       LEU  17  11.040  -0.530  -1.416
  104    HA   LEU  17           HA       LEU  17  11.086  -0.941   1.367
  105   1HB   LEU  17           HB1      LEU  17  12.850   0.338   0.124
  106   2HB   LEU  17           HB2      LEU  17  11.662   1.620  -0.219
  107    HG   LEU  17           HG       LEU  17  11.444   2.079   2.238
  108   1HD1  LEU  17          HD11      LEU  17  13.079   1.105   3.872
  109   2HD1  LEU  17          HD12      LEU  17  11.905  -0.095   3.240
  110   3HD1  LEU  17          HD13      LEU  17  13.601  -0.084   2.620
  111   1HD2  LEU  17          HD21      LEU  17  13.672   3.134   2.568
  112   2HD2  LEU  17          HD22      LEU  17  14.355   2.142   1.228
  113   3HD2  LEU  17          HD23      LEU  17  13.077   3.366   0.885
  114    H    THR  18           HN       THR  18   9.117  -1.146   2.275
  115    HA   THR  18           HA       THR  18   7.156   1.040   1.969
  116    HB   THR  18           HB       THR  18   5.623  -1.137   2.854
  117    HG1  THR  18           HG1      THR  18   6.333  -3.017   1.923
  118   1HG2  THR  18          HG21      THR  18   4.974  -1.768   0.583
  119   2HG2  THR  18          HG22      THR  18   5.084   0.017   0.835
  120   3HG2  THR  18          HG23      THR  18   6.381  -0.849  -0.099
  121    H    CYS  19           HN       CYS  19   5.632   0.867   3.931
  122    HA   CYS  19           HA       CYS  19   7.359   1.220   6.187
  123   1HB   CYS  19           HB1      CYS  19   5.543   2.056   7.505
  124   2HB   CYS  19           HB2      CYS  19   5.795   2.936   6.055
  125    H    GLY  20           HN       GLY  20   5.247   0.376   8.193
  126   1HA   GLY  20           HA1      GLY  20   5.998  -2.437   8.408
  127   2HA   GLY  20           HA2      GLY  20   5.176  -1.365   9.606
  128    H    SER  21           HN       SER  21   3.122  -0.309   8.250
  129    HA   SER  21           HA       SER  21   1.277  -2.440   8.226
  130   1HB   SER  21           HB1      SER  21  -0.503  -0.759   7.850
  131   2HB   SER  21           HB2      SER  21   0.601  -0.348   9.200
  132    HG   SER  21           HG1      SER  21   1.719   1.007   7.726
  133    H    CYS  22           HN       CYS  22   2.816  -0.728   5.473
  134    HA   CYS  22           HA       CYS  22   0.955  -1.527   3.566
  135   1HB   CYS  22           HB1      CYS  22   3.720  -0.383   3.290
  136   2HB   CYS  22           HB2      CYS  22   2.804  -0.944   1.851
  137    H    LYS  23           HN       LYS  23   3.538  -3.200   4.998
  138    HA   LYS  23           HA       LYS  23   3.977  -5.226   3.200
  139   1HB   LYS  23           HB1      LYS  23   5.462  -4.769   5.144
  140   2HB   LYS  23           HB2      LYS  23   4.144  -5.188   6.260
  141   1HG   LYS  23           HG1      LYS  23   4.229  -7.598   5.306
  142   2HG   LYS  23           HG2      LYS  23   5.723  -7.121   4.451
  143   1HD   LYS  23           HD1      LYS  23   6.776  -6.513   6.646
  144   2HD   LYS  23           HD2      LYS  23   5.274  -6.924   7.508
  145   1HE   LYS  23           HE1      LYS  23   6.888  -8.975   5.830
  146   2HE   LYS  23           HE2      LYS  23   7.083  -8.732   7.609
  147   1HZ   LYS  23           HZ1      LYS  23   5.637 -10.526   7.123
  148   2HZ   LYS  23           HZ2      LYS  23   4.776  -9.276   7.883
  149   3HZ   LYS  23           HZ3      LYS  23   4.604  -9.532   6.213
  150    H    VAL  24           HN       VAL  24   2.082  -5.264   6.151
  151    HA   VAL  24           HA       VAL  24   0.751  -7.640   5.819
  152    HB   VAL  24           HB       VAL  24  -0.147  -5.159   7.433
  153   1HG1  VAL  24          HG21      VAL  24  -0.760  -8.120   8.037
  154   2HG1  VAL  24          HG22      VAL  24  -1.198  -6.689   9.061
  155   3HG1  VAL  24          HG23      VAL  24  -1.926  -6.890   7.429
  156   1HG2  VAL  24          HG11      VAL  24   1.855  -7.313   8.324
  157   2HG2  VAL  24          HG12      VAL  24   2.176  -5.559   8.021
  158   3HG2  VAL  24          HG13      VAL  24   1.127  -6.047   9.383
  159    H    PHE  25           HN       PHE  25  -0.162  -4.442   4.958
  160    HA   PHE  25           HA       PHE  25  -2.808  -4.644   4.289
  161   1HB   PHE  25           HB1      PHE  25  -1.577  -2.509   4.548
  162   2HB   PHE  25           HB2      PHE  25  -0.459  -2.956   3.253
  163    HD1  PHE  25           HD1      PHE  25  -4.271  -2.604   3.616
  164    HD2  PHE  25           HD2      PHE  25  -0.703  -1.964   1.289
  165    HE1  PHE  25           HE1      PHE  25  -5.630  -1.720   1.750
  166    HE2  PHE  25           HE2      PHE  25  -2.024  -1.132  -0.542
  167    HZ   PHE  25           HZ       PHE  25  -4.526  -1.005  -0.366
  168    H    PHE  26           HN       PHE  26   0.068  -4.764   2.303
  169    HA   PHE  26           HA       PHE  26  -1.047  -5.393  -0.126
  170   1HB   PHE  26           HB1      PHE  26   1.148  -4.326   0.079
  171   2HB   PHE  26           HB2      PHE  26   1.824  -5.794   0.847
  172    HD1  PHE  26           HD2      PHE  26   0.002  -4.798  -2.356
  173    HD2  PHE  26           HD1      PHE  26   2.997  -7.251  -0.509
  174    HE1  PHE  26           HE2      PHE  26   0.742  -5.566  -4.575
  175    HE2  PHE  26           HE1      PHE  26   3.768  -7.978  -2.720
  176    HZ   PHE  26           HZ       PHE  26   2.629  -7.230  -4.762
  177    H    LYS  27           HN       LYS  27   0.336  -7.514   2.322
  178    HA   LYS  27           HA       LYS  27   0.205  -9.905   0.949
  179   1HB   LYS  27           HB1      LYS  27   1.733  -9.535   2.748
  180   2HB   LYS  27           HB2      LYS  27   0.396  -9.158   3.894
  181   1HG   LYS  27           HG1      LYS  27   1.224 -11.280   4.474
  182   2HG   LYS  27           HG2      LYS  27  -0.339 -11.625   3.703
  183   1HD   LYS  27           HD1      LYS  27   0.643 -12.849   2.002
  184   2HD   LYS  27           HD2      LYS  27   1.948 -11.641   1.758
  185   1HE   LYS  27           HE1      LYS  27   3.181 -12.445   3.716
  186   2HE   LYS  27           HE2      LYS  27   1.903 -13.670   4.079
  187   1HZ   LYS  27           HZ1      LYS  27   2.362 -14.700   1.977
  188   2HZ   LYS  27           HZ2      LYS  27   3.559 -13.547   1.629
  189   3HZ   LYS  27           HZ3      LYS  27   3.762 -14.614   2.934
  190    H    ARG  28           HN       ARG  28  -2.309  -8.134   2.686
  191    HA   ARG  28           HA       ARG  28  -4.194 -10.339   2.512
  192   1HB   ARG  28           HB1      ARG  28  -4.114  -7.629   3.821
  193   2HB   ARG  28           HB2      ARG  28  -5.719  -8.110   3.218
  194   1HG   ARG  28           HG1      ARG  28  -5.590  -8.747   5.498
  195   2HG   ARG  28           HG2      ARG  28  -5.661 -10.214   4.474
  196   1HD   ARG  28           HD1      ARG  28  -3.212 -10.620   4.803
  197   2HD   ARG  28           HD2      ARG  28  -3.043  -9.089   5.742
  198    HE   ARG  28           HE       ARG  28  -4.579 -11.539   6.562
  199   1HH1  ARG  28          HH21      ARG  28  -4.553  -8.322   8.991
  200   2HH1  ARG  28          HH22      ARG  28  -3.686  -8.217   7.495
  201   1HH2  ARG  28          HH11      ARG  28  -5.591 -10.327   9.620
  202   2HH2  ARG  28          HH12      ARG  28  -5.501 -11.719   8.593
  203    H    ALA  29           HN       ALA  29  -3.505  -7.258   1.054
  204    HA   ALA  29           HA       ALA  29  -5.726  -6.959  -0.575
  205   1HB   ALA  29           HB1      ALA  29  -4.428  -5.126  -1.662
  206   2HB   ALA  29           HB2      ALA  29  -4.213  -5.084   0.113
  207   3HB   ALA  29           HB3      ALA  29  -2.914  -5.789  -0.912
  208    H    VAL  30           HN       VAL  30  -3.092  -9.039  -0.996
  209    HA   VAL  30           HA       VAL  30  -3.340  -9.206  -3.910
  210    HB   VAL  30           HB       VAL  30  -1.268 -10.225  -1.921
  211   1HG1  VAL  30          HG21      VAL  30  -1.323 -10.698  -4.964
  212   2HG1  VAL  30          HG22      VAL  30   0.062 -11.087  -3.862
  213   3HG1  VAL  30          HG23      VAL  30  -1.513 -11.954  -3.678
  214   1HG2  VAL  30          HG11      VAL  30  -0.666  -8.358  -4.276
  215   2HG2  VAL  30          HG12      VAL  30  -1.217  -7.719  -2.698
  216   3HG2  VAL  30          HG13      VAL  30   0.284  -8.688  -2.771
  217    H    GLU  31           HN       GLU  31  -2.802 -11.405  -1.213
  218    HA   GLU  31           HA       GLU  31  -4.471 -13.444  -2.495
  219   1HB   GLU  31           HB1      GLU  31  -3.286 -15.115  -1.117
  220   2HB   GLU  31           HB2      GLU  31  -2.324 -14.281  -2.365
  221   1HG   GLU  31           HG1      GLU  31  -1.281 -12.788  -0.697
  222   2HG   GLU  31           HG2      GLU  31  -2.268 -13.504   0.623
  223    H    GLY  32           HN       GLY  32  -6.093 -11.852  -1.654
  224   1HA   GLY  32           HA1      GLY  32  -7.346 -13.181   0.640
  225   2HA   GLY  32           HA2      GLY  32  -7.070 -11.401   0.760
  226    H    GLN  33           HN       GLN  33  -9.413 -11.154   0.883
  227    HA   GLN  33           HA       GLN  33 -10.903 -11.787  -1.525
  228   1HB   GLN  33           HB1      GLN  33 -12.933 -11.374  -0.344
  229   2HB   GLN  33           HB2      GLN  33 -11.948 -12.554   0.539
  230   1HG   GLN  33           HG1      GLN  33 -12.317  -9.568   1.315
  231   2HG   GLN  33           HG2      GLN  33 -13.183 -10.957   2.016
  232   1HE2  GLN  33          HE21      GLN  33 -10.532  -8.902   2.496
  233   2HE2  GLN  33          HE22      GLN  33  -9.619  -9.869   3.607
  234    H    HIS  34           HN       HIS  34  -9.931  -9.149   0.523
  235    HA   HIS  34           HA       HIS  34  -9.388  -7.081   0.145
  236   1HB   HIS  34           HB1      HIS  34 -10.468  -7.000  -2.700
  237   2HB   HIS  34           HB2      HIS  34  -9.229  -5.942  -1.957
  238    HD2  HIS  34           HD2      HIS  34  -7.562  -8.871  -0.732
  239    HE1  HIS  34           HE1      HIS  34  -7.196  -9.536  -4.893
  240    HE2  HIS  34           HE2      HIS  34  -6.420 -10.247  -2.568
  241    H    ASN  35           HN       ASN  35 -10.424  -4.941   0.351
  242    HA   ASN  35           HA       ASN  35 -13.243  -4.773  -0.076
  243   1HB   ASN  35           HB1      ASN  35 -13.811  -4.333   2.405
  244   2HB   ASN  35           HB2      ASN  35 -13.574  -6.024   1.925
  245   1HD2  ASN  35          HD21      ASN  35 -10.947  -6.685   4.186
  246   2HD2  ASN  35          HD22      ASN  35 -12.070  -7.272   3.006
  247    H    TYR  36           HN       TYR  36 -11.291  -3.309  -1.295
  248    HA   TYR  36           HA       TYR  36 -11.705  -0.708  -0.068
  249   1HB   TYR  36           HB1      TYR  36  -9.139  -0.779  -1.469
  250   2HB   TYR  36           HB2      TYR  36  -9.538  -0.208   0.171
  251    HD1  TYR  36           HD1      TYR  36  -9.338  -1.821   2.091
  252    HD2  TYR  36           HD2      TYR  36  -8.218  -2.944  -1.910
  253    HE1  TYR  36           HE1      TYR  36  -8.111  -3.761   2.980
  254    HE2  TYR  36           HE2      TYR  36  -6.981  -4.877  -1.023
  255    HH   TYR  36           HH       TYR  36  -6.878  -5.574   2.511
  256    H    LEU  37           HN       LEU  37  -9.892  -1.209  -3.033
  257    HA   LEU  37           HA       LEU  37 -10.252  -0.976  -5.118
  258   1HB   LEU  37           HB1      LEU  37 -13.233  -1.522  -4.680
  259   2HB   LEU  37           HB2      LEU  37 -12.477  -1.278  -6.272
  260    HG   LEU  37           HG       LEU  37 -12.855  -3.587  -5.931
  261   1HD1  LEU  37          HD11      LEU  37 -10.669  -4.548  -6.446
  262   2HD1  LEU  37          HD12      LEU  37 -10.807  -2.921  -7.206
  263   3HD1  LEU  37          HD13      LEU  37  -9.812  -3.142  -5.718
  264   1HD2  LEU  37          HD21      LEU  37 -11.937  -5.021  -4.216
  265   2HD2  LEU  37          HD22      LEU  37 -11.023  -3.676  -3.458
  266   3HD2  LEU  37          HD23      LEU  37 -12.831  -3.683  -3.415
  267    H    CYS  38           HN       CYS  38 -10.099   0.843  -6.374
  268    HA   CYS  38           HA       CYS  38 -11.936   3.008  -5.871
  269   1HB   CYS  38           HB1      CYS  38  -9.200   3.147  -5.115
  270   2HB   CYS  38           HB2      CYS  38  -9.182   3.904  -6.716
  271    H    ALA  39           HN       ALA  39 -12.515   1.189  -7.355
  272    HA   ALA  39           HA       ALA  39 -11.705   1.379 -10.077
  273   1HB   ALA  39           HB1      ALA  39 -13.523  -0.341 -10.462
  274   2HB   ALA  39           HB2      ALA  39 -12.450  -0.792  -9.093
  275   3HB   ALA  39           HB3      ALA  39 -14.068  -0.074  -8.756
  276    H    GLY  40           HN       GLY  40 -13.807   3.080  -8.065
  277   1HA   GLY  40           HA1      GLY  40 -15.845   3.793  -9.961
  278   2HA   GLY  40           HA2      GLY  40 -15.582   4.384  -8.279
  279    H    ARG  41           HN       ARG  41 -13.128   5.565  -8.239
  280    HA   ARG  41           HA       ARG  41 -13.213   7.568 -10.395
  281   1HB   ARG  41           HB1      ARG  41 -12.802   7.988  -7.400
  282   2HB   ARG  41           HB2      ARG  41 -12.386   9.201  -8.657
  283   1HG   ARG  41           HG1      ARG  41 -15.225   8.091  -8.200
  284   2HG   ARG  41           HG2      ARG  41 -14.561   9.575  -7.459
  285   1HD   ARG  41           HD1      ARG  41 -14.138  10.514  -9.829
  286   2HD   ARG  41           HD2      ARG  41 -14.981   9.061 -10.486
  287    HE   ARG  41           HE       ARG  41 -17.018   9.761  -9.402
  288   1HH1  ARG  41          HH21      ARG  41 -15.578  13.078  -7.624
  289   2HH1  ARG  41          HH22      ARG  41 -14.475  12.098  -8.531
  290   1HH2  ARG  41          HH11      ARG  41 -17.858  12.552  -7.565
  291   2HH2  ARG  41          HH12      ARG  41 -18.464  11.180  -8.428
  292    H    ASN  42           HN       ASN  42 -11.083   7.225  -7.680
  293    HA   ASN  42           HA       ASN  42  -8.994   6.668  -7.384
  294   1HB   ASN  42           HB1      ASN  42  -8.860   4.977  -9.242
  295   2HB   ASN  42           HB2      ASN  42  -8.555   6.284 -10.416
  296   1HD2  ASN  42          HD21      ASN  42  -5.058   6.247  -9.870
  297   2HD2  ASN  42          HD22      ASN  42  -6.402   6.669 -10.876
  298    H    ASP  43           HN       ASP  43  -9.574   8.889  -6.710
  299    HA   ASP  43           HA       ASP  43  -8.246  10.977  -8.293
  300   1HB   ASP  43           HB1      ASP  43  -9.661  12.424  -6.390
  301   2HB   ASP  43           HB2      ASP  43 -10.164  12.091  -8.066
  302    H    CYS  44           HN       CYS  44  -8.936   9.685  -4.983
  303    HA   CYS  44           HA       CYS  44  -7.635  11.494  -3.641
  304   1HB   CYS  44           HB1      CYS  44  -7.486   9.131  -1.984
  305   2HB   CYS  44           HB2      CYS  44  -8.753  10.356  -2.051
  306    H    ILE  45           HN       ILE  45  -5.638  11.750  -2.620
  307    HA   ILE  45           HA       ILE  45  -3.359  10.279  -3.685
  308    HB   ILE  45           HB       ILE  45  -3.563  12.699  -1.795
  309   1HG1  ILE  45          HG11      ILE  45  -4.238  13.319  -4.043
  310   2HG1  ILE  45          HG12      ILE  45  -2.701  14.092  -3.582
  311   1HG2  ILE  45          HG21      ILE  45  -1.074  13.006  -2.093
  312   2HG2  ILE  45          HG22      ILE  45  -1.489  11.534  -1.166
  313   3HG2  ILE  45          HG23      ILE  45  -0.992  11.392  -2.889
  314   1HD1  ILE  45           HD1      ILE  45  -2.623  13.356  -5.946
  315   2HD1  ILE  45           HD2      ILE  45  -1.432  12.406  -4.990
  316   3HD1  ILE  45           HD3      ILE  45  -3.002  11.661  -5.478
  317    H    ILE  46           HN       ILE  46  -2.029   9.060  -2.243
  318    HA   ILE  46           HA       ILE  46  -3.278   8.412   0.343
  319    HB   ILE  46           HB       ILE  46  -2.698   6.744  -1.982
  320   1HG1  ILE  46          HG11      ILE  46  -4.104   5.124  -0.905
  321   2HG1  ILE  46          HG12      ILE  46  -3.946   5.919   0.701
  322   1HG2  ILE  46          HG21      ILE  46  -1.763   4.778  -0.961
  323   2HG2  ILE  46          HG22      ILE  46  -0.547   6.097  -0.958
  324   3HG2  ILE  46          HG23      ILE  46  -1.364   5.663   0.578
  325   1HD1  ILE  46           HD1      ILE  46  -6.109   6.248  -0.696
  326   2HD1  ILE  46           HD2      ILE  46  -5.367   7.717   0.062
  327   3HD1  ILE  46           HD3      ILE  46  -5.146   7.367  -1.716
  328    H    ASP  47           HN       ASP  47  -2.155   8.926   1.964
  329    HA   ASP  47           HA       ASP  47   0.634   8.578   1.947
  330   1HB   ASP  47           HB1      ASP  47   1.450  10.681   2.617
  331   2HB   ASP  47           HB2      ASP  47   0.710  10.819   1.024
  332    H    LYS  48           HN       LYS  48   1.068   9.712   4.476
  333    HA   LYS  48           HA       LYS  48   0.071   7.736   6.086
  334   1HB   LYS  48           HB1      LYS  48   1.153   9.042   7.984
  335   2HB   LYS  48           HB2      LYS  48   2.187   8.670   6.583
  336   1HG   LYS  48           HG1      LYS  48   2.030  10.927   5.701
  337   2HG   LYS  48           HG2      LYS  48   0.767  11.375   6.894
  338   1HD   LYS  48           HD1      LYS  48   2.504  10.922   8.745
  339   2HD   LYS  48           HD2      LYS  48   3.737  10.785   7.453
  340   1HE   LYS  48           HE1      LYS  48   1.978  13.283   8.009
  341   2HE   LYS  48           HE2      LYS  48   3.700  13.074   8.501
  342   1HZ   LYS  48           HZ1      LYS  48   2.671  13.081   5.729
  343   2HZ   LYS  48           HZ2      LYS  48   3.471  14.354   6.521
  344   3HZ   LYS  48           HZ3      LYS  48   4.293  12.902   6.203
  345    H    ILE  49           HN       ILE  49  -1.579  10.570   5.272
  346    HA   ILE  49           HA       ILE  49  -3.311  10.487   7.647
  347    HB   ILE  49           HB       ILE  49  -2.572  12.654   5.641
  348   1HG1  ILE  49          HG11      ILE  49  -1.014  12.482   7.499
  349   2HG1  ILE  49          HG12      ILE  49  -1.923  14.010   7.577
  350   1HG2  ILE  49          HG21      ILE  49  -4.203  14.231   6.712
  351   2HG2  ILE  49          HG22      ILE  49  -4.963  12.882   5.791
  352   3HG2  ILE  49          HG23      ILE  49  -4.936  12.832   7.597
  353   1HD1  ILE  49           HD1      ILE  49  -1.661  13.071   9.845
  354   2HD1  ILE  49           HD2      ILE  49  -3.404  13.018   9.394
  355   3HD1  ILE  49           HD3      ILE  49  -2.408  11.515   9.347
  356    H    ARG  50           HN       ARG  50  -3.239  10.721   4.156
  357    HA   ARG  50           HA       ARG  50  -6.052  10.414   3.851
  358   1HB   ARG  50           HB1      ARG  50  -3.882  10.389   1.713
  359   2HB   ARG  50           HB2      ARG  50  -5.661  10.509   1.434
  360   1HG   ARG  50           HG1      ARG  50  -5.694  12.671   2.748
  361   2HG   ARG  50           HG2      ARG  50  -3.926  12.558   2.945
  362   1HD   ARG  50           HD1      ARG  50  -4.353  14.106   1.102
  363   2HD   ARG  50           HD2      ARG  50  -3.649  12.596   0.418
  364    HE   ARG  50           HE       ARG  50  -5.830  11.947  -0.382
  365   1HH1  ARG  50          HH21      ARG  50  -7.904  15.079   1.068
  366   2HH1  ARG  50          HH22      ARG  50  -6.212  14.984   1.427
  367   1HH2  ARG  50          HH11      ARG  50  -8.904  13.499  -0.342
  368   2HH2  ARG  50          HH12      ARG  50  -7.961  12.223  -1.039
  369    H    ARG  51           HN       ARG  51  -3.802   8.231   4.569
  370    HA   ARG  51           HA       ARG  51  -4.436   5.928   3.114
  371   1HB   ARG  51           HB1      ARG  51  -2.362   5.878   4.157
  372   2HB   ARG  51           HB2      ARG  51  -2.956   6.600   5.672
  373   1HG   ARG  51           HG1      ARG  51  -3.771   3.734   4.940
  374   2HG   ARG  51           HG2      ARG  51  -2.109   4.084   5.505
  375   1HD   ARG  51           HD1      ARG  51  -3.014   5.126   7.609
  376   2HD   ARG  51           HD2      ARG  51  -4.700   4.708   7.088
  377    HE   ARG  51           HE       ARG  51  -3.853   2.311   6.953
  378   1HH1  ARG  51          HH21      ARG  51  -3.561   3.453  10.802
  379   2HH1  ARG  51          HH22      ARG  51  -3.247   4.638   9.580
  380   1HH2  ARG  51          HH11      ARG  51  -3.995   1.227  10.211
  381   2HH2  ARG  51          HH12      ARG  51  -4.004   0.750   8.546
  382    H    LYS  52           HN       LYS  52  -5.861   7.546   5.896
  383    HA   LYS  52           HA       LYS  52  -7.606   5.401   6.577
  384   1HB   LYS  52           HB1      LYS  52  -7.366   8.237   7.714
  385   2HB   LYS  52           HB2      LYS  52  -8.352   6.911   8.413
  386   1HG   LYS  52           HG1      LYS  52  -6.272   5.583   8.847
  387   2HG   LYS  52           HG2      LYS  52  -5.277   6.894   8.134
  388   1HD   LYS  52           HD1      LYS  52  -6.116   8.487   9.889
  389   2HD   LYS  52           HD2      LYS  52  -7.061   7.158  10.635
  390   1HE   LYS  52           HE1      LYS  52  -4.945   5.892  11.123
  391   2HE   LYS  52           HE2      LYS  52  -3.973   7.182  10.314
  392   1HZ   LYS  52           HZ1      LYS  52  -4.002   7.400  12.675
  393   2HZ   LYS  52           HZ2      LYS  52  -4.760   8.729  11.939
  394   3HZ   LYS  52           HZ3      LYS  52  -5.695   7.530  12.694
  395    H    ASN  53           HN       ASN  53  -7.588   7.789   4.207
  396    HA   ASN  53           HA       ASN  53 -10.405   8.401   4.298
  397   1HB   ASN  53           HB1      ASN  53  -8.301   9.290   2.202
  398   2HB   ASN  53           HB2      ASN  53  -9.996   9.795   2.235
  399   1HD2  ASN  53          HD21      ASN  53  -8.274  12.667   3.653
  400   2HD2  ASN  53          HD22      ASN  53  -8.619  11.891   2.147
  401    H    CYS  54           HN       CYS  54  -7.934   6.513   2.580
  402    HA   CYS  54           HA       CYS  54  -9.894   4.818   1.362
  403   1HB   CYS  54           HB1      CYS  54  -9.973   6.610  -0.271
  404   2HB   CYS  54           HB2      CYS  54  -8.211   6.805  -0.267
  405    HA   PRO  55           HA       PRO  55  -5.867   2.691   1.417
  406   1HB   PRO  55           HB1      PRO  55  -6.521   0.449   2.764
  407   2HB   PRO  55           HB2      PRO  55  -6.607   1.984   3.589
  408   1HG   PRO  55           HG1      PRO  55  -8.902   0.438   2.378
  409   2HG   PRO  55           HG2      PRO  55  -8.829   1.223   3.948
  410   1HD   PRO  55           HD1      PRO  55  -9.874   2.362   1.558
  411   2HD   PRO  55           HD2      PRO  55  -9.446   3.267   3.013
  412    H    ALA  56           HN       ALA  56  -7.485   2.908  -1.012
  413    HA   ALA  56           HA       ALA  56  -7.515   0.185  -2.054
  414   1HB   ALA  56           HB1      ALA  56  -9.111   0.951  -3.722
  415   2HB   ALA  56           HB2      ALA  56  -9.789   1.261  -2.071
  416   3HB   ALA  56           HB3      ALA  56  -9.133   2.611  -3.036
  417    H    CYS  57           HN       CYS  57  -6.883   3.667  -2.675
  418    HA   CYS  57           HA       CYS  57  -5.420   3.455  -4.962
  419   1HB   CYS  57           HB1      CYS  57  -5.496   5.407  -2.650
  420   2HB   CYS  57           HB2      CYS  57  -4.436   5.712  -4.021
  421    H    ARG  58           HN       ARG  58  -4.521   3.046  -1.655
  422    HA   ARG  58           HA       ARG  58  -1.807   3.037  -1.720
  423   1HB   ARG  58           HB1      ARG  58  -3.810   1.420  -0.045
  424   2HB   ARG  58           HB2      ARG  58  -2.047   1.171   0.203
  425   1HG   ARG  58           HG1      ARG  58  -1.702   3.484   0.823
  426   2HG   ARG  58           HG2      ARG  58  -3.439   3.842   0.528
  427   1HD   ARG  58           HD1      ARG  58  -3.078   3.621   2.935
  428   2HD   ARG  58           HD2      ARG  58  -4.103   2.248   2.354
  429    HE   ARG  58           HE       ARG  58  -1.140   1.970   2.776
  430   1HH1  ARG  58          HH21      ARG  58  -3.745   0.435   5.448
  431   2HH1  ARG  58          HH22      ARG  58  -4.386   1.269   4.071
  432   1HH2  ARG  58          HH11      ARG  58  -1.449   0.096   5.662
  433   2HH2  ARG  58          HH12      ARG  58  -0.354   0.673   4.450
  434    H    TYR  59           HN       TYR  59  -4.103   0.484  -2.720
  435    HA   TYR  59           HA       TYR  59  -2.171  -1.581  -2.813
  436   1HB   TYR  59           HB1      TYR  59  -4.614  -2.027  -2.496
  437   2HB   TYR  59           HB2      TYR  59  -4.937  -1.408  -4.139
  438    HD1  TYR  59           HD1      TYR  59  -2.221  -3.808  -2.891
  439    HD2  TYR  59           HD2      TYR  59  -5.631  -3.189  -5.448
  440    HE1  TYR  59           HE1      TYR  59  -1.856  -6.023  -3.926
  441    HE2  TYR  59           HE2      TYR  59  -5.265  -5.400  -6.465
  442    HH   TYR  59           HH       TYR  59  -3.984  -7.238  -6.542
  443    H    ARG  60           HN       ARG  60  -3.684   0.623  -5.273
  444    HA   ARG  60           HA       ARG  60  -2.113  -0.442  -7.325
  445   1HB   ARG  60           HB1      ARG  60  -2.944   0.976  -8.858
  446   2HB   ARG  60           HB2      ARG  60  -4.302   0.679  -7.751
  447   1HG   ARG  60           HG1      ARG  60  -4.122   2.907  -6.769
  448   2HG   ARG  60           HG2      ARG  60  -2.552   3.223  -7.553
  449   1HD   ARG  60           HD1      ARG  60  -5.279   3.012  -8.968
  450   2HD   ARG  60           HD2      ARG  60  -4.252   4.482  -8.741
  451    HE   ARG  60           HE       ARG  60  -3.656   2.131 -10.510
  452   1HH1  ARG  60          HH21      ARG  60  -0.934   5.081 -10.259
  453   2HH1  ARG  60          HH22      ARG  60  -2.368   5.221  -9.296
  454   1HH2  ARG  60          HH11      ARG  60  -0.675   3.290 -11.750
  455   2HH2  ARG  60          HH12      ARG  60  -1.919   2.094 -11.901
  456    H    LYS  61           HN       LYS  61  -1.484   2.172  -5.051
  457    HA   LYS  61           HA       LYS  61   0.546   3.356  -6.471
  458   1HB   LYS  61           HB1      LYS  61  -0.963   4.323  -4.687
  459   2HB   LYS  61           HB2      LYS  61   0.095   3.590  -3.454
  460   1HG   LYS  61           HG1      LYS  61   1.976   4.972  -4.203
  461   2HG   LYS  61           HG2      LYS  61   1.114   5.437  -5.702
  462   1HD   LYS  61           HD1      LYS  61   0.289   6.260  -2.853
  463   2HD   LYS  61           HD2      LYS  61   1.203   7.287  -3.988
  464   1HE   LYS  61           HE1      LYS  61  -1.719   6.293  -4.368
  465   2HE   LYS  61           HE2      LYS  61  -1.199   7.944  -3.886
  466   1HZ   LYS  61           HZ1      LYS  61  -0.532   6.613  -6.439
  467   2HZ   LYS  61           HZ2      LYS  61  -1.749   7.772  -6.193
  468   3HZ   LYS  61           HZ3      LYS  61  -0.118   8.194  -5.974
  469    H    CYS  62           HN       CYS  62   0.606   0.973  -3.896
  470    HA   CYS  62           HA       CYS  62   3.348   0.718  -3.740
  471   1HB   CYS  62           HB1      CYS  62   3.047  -1.042  -2.227
  472   2HB   CYS  62           HB2      CYS  62   1.704   0.056  -1.971
  473    HG1  CYS  62           HG1      CYS  62   1.593  -2.744  -3.711
  474    H    LEU  63           HN       LEU  63   0.999  -0.947  -5.806
  475    HA   LEU  63           HA       LEU  63   2.752  -2.772  -6.953
  476   1HB   LEU  63           HB1      LEU  63   0.099  -1.566  -7.874
  477   2HB   LEU  63           HB2      LEU  63   0.975  -2.730  -8.909
  478    HG   LEU  63           HG       LEU  63   0.107  -3.365  -6.031
  479   1HD1  LEU  63          HD11      LEU  63  -1.760  -4.664  -7.054
  480   2HD1  LEU  63          HD12      LEU  63  -1.899  -2.909  -7.425
  481   3HD1  LEU  63          HD13      LEU  63  -1.309  -4.054  -8.686
  482   1HD2  LEU  63          HD21      LEU  63   0.448  -5.759  -6.799
  483   2HD2  LEU  63          HD22      LEU  63   1.166  -5.136  -8.326
  484   3HD2  LEU  63          HD23      LEU  63   1.966  -4.798  -6.745
  485    H    GLN  64           HN       GLN  64   1.937   0.590  -7.716
  486    HA   GLN  64           HA       GLN  64   3.231   0.815 -10.131
  487   1HB   GLN  64           HB1      GLN  64   1.661   2.462  -8.450
  488   2HB   GLN  64           HB2      GLN  64   3.172   3.358  -8.545
  489   1HG   GLN  64           HG1      GLN  64   1.526   2.352 -10.982
  490   2HG   GLN  64           HG2      GLN  64   1.394   3.988 -10.267
  491   1HE2  GLN  64          HE21      GLN  64   3.340   5.413 -10.322
  492   2HE2  GLN  64          HE22      GLN  64   4.511   5.226 -11.583
  493    H    ALA  65           HN       ALA  65   4.262   1.146  -6.849
  494    HA   ALA  65           HA       ALA  65   6.794   2.206  -7.212
  495   1HB   ALA  65           HB1      ALA  65   7.222   1.800  -4.889
  496   2HB   ALA  65           HB2      ALA  65   5.481   2.210  -5.028
  497   3HB   ALA  65           HB3      ALA  65   5.973   0.500  -4.805
  498    H    GLY  66           HN       GLY  66   5.597  -1.047  -7.245
  499   1HA   GLY  66           HA1      GLY  66   6.657  -2.503  -8.781
  500   2HA   GLY  66           HA2      GLY  66   8.247  -2.085  -8.046
  501    H    MET  67           HN       MET  67   5.378  -2.511  -6.011
  502    HA   MET  67           HA       MET  67   6.636  -4.434  -4.432
  503   1HB   MET  67           HB1      MET  67   3.748  -3.536  -4.537
  504   2HB   MET  67           HB2      MET  67   4.232  -4.877  -3.468
  505   1HG   MET  67           HG1      MET  67   5.498  -2.080  -3.320
  506   2HG   MET  67           HG2      MET  67   4.103  -2.648  -2.359
  507   1HE   MET  67           HE1      MET  67   3.973  -3.925  -0.413
  508   2HE   MET  67           HE2      MET  67   5.314  -4.629   0.526
  509   3HE   MET  67           HE3      MET  67   4.672  -5.531  -0.903
  510    H    ASN  68           HN       ASN  68   6.329  -6.718  -4.130
  511    HA   ASN  68           HA       ASN  68   4.596  -8.148  -5.877
  512   1HB   ASN  68           HB1      ASN  68   6.500  -7.484  -7.485
  513   2HB   ASN  68           HB2      ASN  68   7.644  -8.135  -6.451
  514   1HD2  ASN  68          HD21      ASN  68   5.040 -11.023  -8.076
  515   2HD2  ASN  68          HD22      ASN  68   4.434  -9.656  -7.183
  516    H    LEU  69           HN       LEU  69   4.080  -9.859  -4.685
  517    HA   LEU  69           HA       LEU  69   5.719 -10.514  -2.368
  518   1HB   LEU  69           HB1      LEU  69   3.746  -9.800  -1.563
  519   2HB   LEU  69           HB2      LEU  69   2.837 -10.301  -3.020
  520    HG   LEU  69           HG       LEU  69   2.716 -12.624  -2.221
  521   1HD1  LEU  69          HD11      LEU  69   3.502 -13.403  -0.118
  522   2HD1  LEU  69          HD12      LEU  69   4.920 -12.508  -0.762
  523   3HD1  LEU  69          HD13      LEU  69   3.868 -11.746   0.482
  524   1HD2  LEU  69          HD21      LEU  69   1.136 -12.145  -0.323
  525   2HD2  LEU  69          HD22      LEU  69   1.812 -10.471  -0.231
  526   3HD2  LEU  69          HD23      LEU  69   0.932 -11.013  -1.705
  527    H    GLU  70           HN       GLU  70   6.702 -11.237  -4.790
  528    HA   GLU  70           HA       GLU  70   7.246 -13.945  -4.445
  529   1HB   GLU  70           HB1      GLU  70   6.096 -12.977  -7.140
  530   2HB   GLU  70           HB2      GLU  70   6.923 -14.547  -6.926
  531   1HG   GLU  70           HG1      GLU  70   4.211 -13.809  -5.602
  532   2HG   GLU  70           HG2      GLU  70   4.396 -14.620  -7.174
  533    H    ALA  71           HN       ALA  71   8.398 -11.560  -3.903
  534    HA   ALA  71           HA       ALA  71  10.392 -11.099  -6.026
  535   1HB   ALA  71           HB1      ALA  71  10.502  -8.757  -5.223
  536   2HB   ALA  71           HB2      ALA  71   8.811  -9.225  -5.570
  537   3HB   ALA  71           HB3      ALA  71   9.368  -9.151  -3.870
  538    H    ARG  72           HN       ARG  72  12.259  -9.728  -4.744
  539    HA   ARG  72           HA       ARG  72  13.466 -11.624  -2.895
  540   1HB   ARG  72           HB1      ARG  72  14.644 -10.949  -5.006
  541   2HB   ARG  72           HB2      ARG  72  14.596  -9.247  -4.484
  542   1HG   ARG  72           HG1      ARG  72  16.041  -9.879  -2.471
  543   2HG   ARG  72           HG2      ARG  72  16.118 -11.557  -3.104
  544   1HD   ARG  72           HD1      ARG  72  17.223 -10.701  -5.219
  545   2HD   ARG  72           HD2      ARG  72  17.108  -9.009  -4.573
  546    HE   ARG  72           HE       ARG  72  18.573 -11.199  -3.117
  547   1HH1  ARG  72          HH21      ARG  72  20.648  -8.419  -5.168
  548   2HH1  ARG  72          HH22      ARG  72  18.920  -8.293  -5.154
  549   1HH2  ARG  72          HH11      ARG  72  20.803 -11.207  -2.979
  550   2HH2  ARG  72          HH12      ARG  72  21.724 -10.085  -3.925
   
  No H/Q in entry =         550
  Start of MODEL   16
    1   1H    LEU   1           HT1      LEU   1  12.070   6.272   5.361
    2   2H    LEU   1           HT2      LEU   1  11.326   4.746   5.298
    3   3H    LEU   1           HT3      LEU   1  12.186   5.327   3.954
    4    HA   LEU   1           HA       LEU   1   9.730   6.440   5.087
    5   1HB   LEU   1           HB1      LEU   1  11.406   7.248   2.631
    6   2HB   LEU   1           HB2      LEU   1   9.739   7.835   2.889
    7    HG   LEU   1           HG       LEU   1  12.038   8.336   4.860
    8   1HD1  LEU   1          HD11      LEU   1  12.548   9.395   2.679
    9   2HD1  LEU   1          HD12      LEU   1  10.933  10.194   2.660
   10   3HD1  LEU   1          HD13      LEU   1  12.147  10.636   3.918
   11   1HD2  LEU   1          HD21      LEU   1   9.226   9.602   4.643
   12   2HD2  LEU   1          HD22      LEU   1   9.801   8.488   5.934
   13   3HD2  LEU   1          HD23      LEU   1  10.531  10.118   5.773
   14    H    CYS   2           HN       CYS   2   7.959   5.334   4.552
   15    HA   CYS   2           HA       CYS   2   7.694   3.189   2.836
   16   1HB   CYS   2           HB1      CYS   2   6.278   3.490   4.873
   17   2HB   CYS   2           HB2      CYS   2   5.578   5.009   4.134
   18    H    LEU   3           HN       LEU   3   7.185   3.183   0.633
   19    HA   LEU   3           HA       LEU   3   7.170   5.843  -0.464
   20   1HB   LEU   3           HB1      LEU   3   7.815   3.090  -1.525
   21   2HB   LEU   3           HB2      LEU   3   7.808   4.499  -2.646
   22    HG   LEU   3           HG       LEU   3   9.544   4.355  -0.126
   23   1HD1  LEU   3          HD11      LEU   3  11.499   3.891  -1.634
   24   2HD1  LEU   3          HD12      LEU   3  10.296   2.562  -1.641
   25   3HD1  LEU   3          HD13      LEU   3  10.371   3.710  -3.029
   26   1HD2  LEU   3          HD21      LEU   3  10.828   6.233  -1.161
   27   2HD2  LEU   3          HD22      LEU   3   9.663   6.273  -2.536
   28   3HD2  LEU   3          HD23      LEU   3   9.113   6.678  -0.868
   29    H    VAL   4           HN       VAL   4   4.948   4.308   0.618
   30    HA   VAL   4           HA       VAL   4   3.070   4.320  -1.642
   31    HB   VAL   4           HB       VAL   4   2.756   2.675   0.904
   32   1HG1  VAL   4          HG21      VAL   4   1.285   2.483  -1.747
   33   2HG1  VAL   4          HG22      VAL   4   1.013   1.486  -0.254
   34   3HG1  VAL   4          HG23      VAL   4   0.670   3.254  -0.236
   35   1HG2  VAL   4          HG11      VAL   4   4.009   1.800  -1.721
   36   2HG2  VAL   4          HG12      VAL   4   4.772   1.911  -0.100
   37   3HG2  VAL   4          HG13      VAL   4   3.474   0.697  -0.379
   38    H    CYS   5           HN       CYS   5   3.020   4.477   1.915
   39    HA   CYS   5           HA       CYS   5   0.963   6.593   1.647
   40   1HB   CYS   5           HB1      CYS   5  -0.036   6.064   3.695
   41   2HB   CYS   5           HB2      CYS   5   0.009   4.621   2.679
   42    H    SER   6           HN       SER   6   3.967   6.595   1.596
   43    HA   SER   6           HA       SER   6   5.639   7.907   2.309
   44   1HB   SER   6           HB1      SER   6   3.601  10.078   2.265
   45   2HB   SER   6           HB2      SER   6   5.304  10.143   1.652
   46    HG   SER   6           HG1      SER   6   4.511   8.574   0.096
   47    H    ASP   7           HN       ASP   7   5.246   6.666   4.446
   48    HA   ASP   7           HA       ASP   7   5.158   8.565   6.735
   49   1HB   ASP   7           HB1      ASP   7   3.205   6.919   6.417
   50   2HB   ASP   7           HB2      ASP   7   4.342   5.568   6.461
   51    H    GLU   8           HN       GLU   8   6.756   7.769   8.509
   52    HA   GLU   8           HA       GLU   8   9.195   7.040   7.441
   53   1HB   GLU   8           HB1      GLU   8   9.098   6.531  10.352
   54   2HB   GLU   8           HB2      GLU   8  10.156   7.541   9.360
   55   1HG   GLU   8           HG1      GLU   8   9.086   9.047  10.838
   56   2HG   GLU   8           HG2      GLU   8   8.263   9.308   9.276
   57    H    ALA   9           HN       ALA   9   9.693   5.090   6.538
   58    HA   ALA   9           HA       ALA   9   8.260   2.734   7.301
   59   1HB   ALA   9           HB1      ALA   9   9.944   1.653   5.542
   60   2HB   ALA   9           HB2      ALA   9   8.673   2.741   4.935
   61   3HB   ALA   9           HB3      ALA   9  10.366   3.333   5.174
   62    H    SER  10           HN       SER  10   9.077   0.827   8.062
   63    HA   SER  10           HA       SER  10  11.773   0.466   8.755
   64   1HB   SER  10           HB1      SER  10  11.337   0.086  11.271
   65   2HB   SER  10           HB2      SER  10  11.330   1.801  10.766
   66    HG   SER  10           HG1      SER  10   9.009   0.200  10.994
   67    H    GLY  11           HN       GLY  11  10.241  -0.735   6.895
   68   1HA   GLY  11           HA1      GLY  11  10.262  -3.399   7.731
   69   2HA   GLY  11           HA2      GLY  11   8.566  -2.749   7.683
   70    H    CYS  12           HN       CYS  12  11.619  -2.679   5.725
   71    HA   CYS  12           HA       CYS  12  10.201  -2.446   3.243
   72   1HB   CYS  12           HB1      CYS  12  12.489  -2.771   2.193
   73   2HB   CYS  12           HB2      CYS  12  12.337  -1.384   3.282
   74    HG1  CYS  12           HG1      CYS  12  14.731  -2.463   3.461
   75    H    HIS  13           HN       HIS  13   9.469  -4.221   1.900
   76    HA   HIS  13           HA       HIS  13  10.613  -6.781   2.278
   77   1HB   HIS  13           HB1      HIS  13   8.730  -6.171   4.324
   78   2HB   HIS  13           HB2      HIS  13   7.712  -6.974   3.120
   79    HD2  HIS  13           HD2      HIS  13   7.956  -9.751   3.071
   80    HE1  HIS  13           HE1      HIS  13  11.303  -9.985   5.639
   81    HE2  HIS  13           HE2      HIS  13   9.518 -11.309   4.376
   82    H    TYR  14           HN       TYR  14   9.766  -8.228   0.718
   83    HA   TYR  14           HA       TYR  14   8.830  -8.870  -1.083
   84   1HB   TYR  14           HB1      TYR  14   6.806  -6.561  -1.114
   85   2HB   TYR  14           HB2      TYR  14   6.678  -8.002  -2.027
   86    HD1  TYR  14           HD1      TYR  14   7.379 -10.305  -0.367
   87    HD2  TYR  14           HD2      TYR  14   5.027  -6.860   0.565
   88    HE1  TYR  14           HE1      TYR  14   6.436 -11.494   1.538
   89    HE2  TYR  14           HE2      TYR  14   4.091  -8.044   2.495
   90    HH   TYR  14           HH       TYR  14   4.058  -9.898   3.727
   91    H    GLY  15           HN       GLY  15   8.178  -5.905  -2.647
   92   1HA   GLY  15           HA1      GLY  15  10.865  -6.054  -3.851
   93   2HA   GLY  15           HA2      GLY  15   9.357  -5.379  -4.523
   94    H    VAL  16           HN       VAL  16   9.088  -3.815  -1.661
   95    HA   VAL  16           HA       VAL  16  10.990  -1.698  -2.474
   96    HB   VAL  16           HB       VAL  16   8.014  -1.287  -1.984
   97   1HG1  VAL  16          HG21      VAL  16  10.034   0.640  -3.212
   98   2HG1  VAL  16          HG22      VAL  16   8.240   0.809  -3.276
   99   3HG1  VAL  16          HG23      VAL  16   9.052   0.828  -1.691
  100   1HG2  VAL  16          HG11      VAL  16   9.349  -1.464  -4.761
  101   2HG2  VAL  16          HG12      VAL  16   8.210  -2.655  -4.041
  102   3HG2  VAL  16          HG13      VAL  16   7.635  -1.008  -4.420
  103    H    LEU  17           HN       LEU  17  11.146  -0.009  -1.044
  104    HA   LEU  17           HA       LEU  17  11.144  -0.562   1.725
  105   1HB   LEU  17           HB1      LEU  17  12.879   0.894   0.729
  106   2HB   LEU  17           HB2      LEU  17  11.637   2.054   0.200
  107    HG   LEU  17           HG       LEU  17  11.093   2.598   2.567
  108   1HD1  LEU  17          HD11      LEU  17  12.567   1.863   4.450
  109   2HD1  LEU  17          HD12      LEU  17  11.570   0.541   3.764
  110   3HD1  LEU  17          HD13      LEU  17  13.332   0.650   3.359
  111   1HD2  LEU  17          HD21      LEU  17  13.167   3.849   3.116
  112   2HD2  LEU  17          HD22      LEU  17  14.100   2.851   1.941
  113   3HD2  LEU  17          HD23      LEU  17  12.792   3.948   1.359
  114    H    THR  18           HN       THR  18   9.211  -0.825   2.691
  115    HA   THR  18           HA       THR  18   7.120   1.230   2.350
  116    HB   THR  18           HB       THR  18   5.670  -1.064   3.065
  117    HG1  THR  18           HG1      THR  18   7.813  -2.123   1.578
  118   1HG2  THR  18          HG21      THR  18   5.099  -1.595   0.745
  119   2HG2  THR  18          HG22      THR  18   5.115   0.178   1.101
  120   3HG2  THR  18          HG23      THR  18   6.473  -0.569   0.151
  121    H    CYS  19           HN       CYS  19   5.561   0.911   4.244
  122    HA   CYS  19           HA       CYS  19   7.206   1.138   6.590
  123   1HB   CYS  19           HB1      CYS  19   5.341   1.821   7.917
  124   2HB   CYS  19           HB2      CYS  19   5.595   2.829   6.568
  125    H    GLY  20           HN       GLY  20   5.641   0.076   8.648
  126   1HA   GLY  20           HA1      GLY  20   6.202  -2.720   8.482
  127   2HA   GLY  20           HA2      GLY  20   5.364  -1.814   9.796
  128    H    SER  21           HN       SER  21   3.237  -0.741   8.487
  129    HA   SER  21           HA       SER  21   1.417  -2.870   8.350
  130   1HB   SER  21           HB1      SER  21   0.993   0.088   7.586
  131   2HB   SER  21           HB2      SER  21  -0.304  -1.111   7.939
  132    HG   SER  21           HG1      SER  21   0.601  -1.318  10.016
  133    H    CYS  22           HN       CYS  22   2.960  -0.961   5.675
  134    HA   CYS  22           HA       CYS  22   1.099  -1.744   3.775
  135   1HB   CYS  22           HB1      CYS  22   3.746  -0.386   3.438
  136   2HB   CYS  22           HB2      CYS  22   2.799  -0.940   2.019
  137    H    LYS  23           HN       LYS  23   3.760  -3.413   5.036
  138    HA   LYS  23           HA       LYS  23   4.210  -5.256   3.039
  139   1HB   LYS  23           HB1      LYS  23   5.810  -4.997   4.870
  140   2HB   LYS  23           HB2      LYS  23   4.558  -5.393   6.072
  141   1HG   LYS  23           HG1      LYS  23   4.475  -7.773   5.138
  142   2HG   LYS  23           HG2      LYS  23   5.834  -7.352   4.056
  143   1HD   LYS  23           HD1      LYS  23   7.320  -6.975   5.973
  144   2HD   LYS  23           HD2      LYS  23   5.951  -7.060   7.124
  145   1HE   LYS  23           HE1      LYS  23   5.593  -9.470   6.642
  146   2HE   LYS  23           HE2      LYS  23   6.881  -9.449   5.383
  147   1HZ   LYS  23           HZ1      LYS  23   8.462  -8.890   7.064
  148   2HZ   LYS  23           HZ2      LYS  23   7.255  -8.861   8.258
  149   3HZ   LYS  23           HZ3      LYS  23   7.630 -10.314   7.466
  150    H    VAL  24           HN       VAL  24   2.378  -5.552   6.012
  151    HA   VAL  24           HA       VAL  24   1.108  -7.936   5.533
  152    HB   VAL  24           HB       VAL  24   0.138  -5.633   7.356
  153   1HG1  VAL  24          HG21      VAL  24  -0.237  -8.670   7.727
  154   2HG1  VAL  24          HG22      VAL  24  -0.727  -7.369   8.892
  155   3HG1  VAL  24          HG23      VAL  24  -1.511  -7.480   7.275
  156   1HG2  VAL  24          HG11      VAL  24   2.321  -7.693   8.010
  157   2HG2  VAL  24          HG12      VAL  24   2.503  -5.902   7.839
  158   3HG2  VAL  24          HG13      VAL  24   1.545  -6.572   9.191
  159    H    PHE  25           HN       PHE  25   0.093  -4.716   4.911
  160    HA   PHE  25           HA       PHE  25  -2.560  -4.895   4.276
  161   1HB   PHE  25           HB1      PHE  25  -1.330  -2.762   4.588
  162   2HB   PHE  25           HB2      PHE  25  -0.203  -3.193   3.294
  163    HD1  PHE  25           HD2      PHE  25  -4.035  -2.974   3.470
  164    HD2  PHE  25           HD1      PHE  25  -0.355  -1.926   1.485
  165    HE1  PHE  25           HE2      PHE  25  -5.307  -2.010   1.589
  166    HE2  PHE  25           HE1      PHE  25  -1.608  -1.008  -0.380
  167    HZ   PHE  25           HZ       PHE  25  -4.098  -1.041  -0.367
  168    H    PHE  26           HN       PHE  26   0.265  -4.843   2.211
  169    HA   PHE  26           HA       PHE  26  -0.886  -5.376  -0.213
  170   1HB   PHE  26           HB1      PHE  26   1.285  -4.255   0.032
  171   2HB   PHE  26           HB2      PHE  26   2.004  -5.734   0.738
  172    HD1  PHE  26           HD1      PHE  26   0.093  -4.726  -2.407
  173    HD2  PHE  26           HD2      PHE  26   3.245  -7.059  -0.671
  174    HE1  PHE  26           HE1      PHE  26   0.809  -5.429  -4.656
  175    HE2  PHE  26           HE2      PHE  26   3.974  -7.746  -2.903
  176    HZ   PHE  26           HZ       PHE  26   2.759  -6.993  -4.913
  177    H    LYS  27           HN       LYS  27   0.657  -7.549   2.058
  178    HA   LYS  27           HA       LYS  27   0.477  -9.838   0.451
  179   1HB   LYS  27           HB1      LYS  27   2.259  -9.707   1.923
  180   2HB   LYS  27           HB2      LYS  27   1.219  -9.505   3.358
  181   1HG   LYS  27           HG1      LYS  27   1.006 -12.069   1.673
  182   2HG   LYS  27           HG2      LYS  27   2.457 -11.828   2.671
  183   1HD   LYS  27           HD1      LYS  27  -0.410 -11.762   3.809
  184   2HD   LYS  27           HD2      LYS  27   0.660 -13.196   3.783
  185   1HE   LYS  27           HE1      LYS  27   2.360 -11.988   5.201
  186   2HE   LYS  27           HE2      LYS  27   1.286 -10.540   5.267
  187   1HZ   LYS  27           HZ1      LYS  27   0.587 -13.246   6.230
  188   2HZ   LYS  27           HZ2      LYS  27   1.108 -11.939   7.181
  189   3HZ   LYS  27           HZ3      LYS  27  -0.365 -11.843   6.342
  190    H    ARG  28           HN       ARG  28  -1.922  -8.311   2.438
  191    HA   ARG  28           HA       ARG  28  -3.718 -10.589   2.340
  192   1HB   ARG  28           HB1      ARG  28  -3.560  -8.019   3.818
  193   2HB   ARG  28           HB2      ARG  28  -5.176  -8.232   3.126
  194   1HG   ARG  28           HG1      ARG  28  -5.213  -9.101   5.335
  195   2HG   ARG  28           HG2      ARG  28  -5.408 -10.460   4.184
  196   1HD   ARG  28           HD1      ARG  28  -3.048 -11.178   4.539
  197   2HD   ARG  28           HD2      ARG  28  -2.711  -9.739   5.574
  198    HE   ARG  28           HE       ARG  28  -4.555 -12.028   6.219
  199   1HH1  ARG  28          HH21      ARG  28  -4.193  -8.988   8.840
  200   2HH1  ARG  28          HH22      ARG  28  -3.290  -8.902   7.363
  201   1HH2  ARG  28          HH11      ARG  28  -5.482 -10.882   9.330
  202   2HH2  ARG  28          HH12      ARG  28  -5.540 -12.213   8.223
  203    H    ALA  29           HN       ALA  29  -3.188  -7.464   0.915
  204    HA   ALA  29           HA       ALA  29  -5.474  -7.217  -0.637
  205   1HB   ALA  29           HB1      ALA  29  -4.276  -5.317  -1.736
  206   2HB   ALA  29           HB2      ALA  29  -3.982  -5.291   0.029
  207   3HB   ALA  29           HB3      ALA  29  -2.714  -5.941  -1.066
  208    H    VAL  30           HN       VAL  30  -2.801  -9.210  -1.155
  209    HA   VAL  30           HA       VAL  30  -3.202  -9.383  -4.062
  210    HB   VAL  30           HB       VAL  30  -0.880 -10.288  -2.292
  211   1HG1  VAL  30          HG21      VAL  30  -1.170 -10.492  -5.354
  212   2HG1  VAL  30          HG22      VAL  30   0.312 -10.907  -4.400
  213   3HG1  VAL  30          HG23      VAL  30  -1.208 -11.873  -4.191
  214   1HG2  VAL  30          HG11      VAL  30  -0.586  -8.221  -4.524
  215   2HG2  VAL  30          HG12      VAL  30  -1.092  -7.725  -2.883
  216   3HG2  VAL  30          HG13      VAL  30   0.468  -8.572  -3.094
  217    H    GLU  31           HN       GLU  31  -2.345 -11.393  -1.297
  218    HA   GLU  31           HA       GLU  31  -3.761 -13.687  -2.454
  219   1HB   GLU  31           HB1      GLU  31  -1.672 -13.605  -0.222
  220   2HB   GLU  31           HB2      GLU  31  -2.483 -15.079  -0.859
  221   1HG   GLU  31           HG1      GLU  31  -1.527 -14.537  -3.172
  222   2HG   GLU  31           HG2      GLU  31  -0.593 -13.197  -2.430
  223    H    GLY  32           HN       GLY  32  -5.590 -12.140  -1.768
  224   1HA   GLY  32           HA1      GLY  32  -6.839 -13.522   0.465
  225   2HA   GLY  32           HA2      GLY  32  -6.594 -11.750   0.700
  226    H    GLN  33           HN       GLN  33  -8.921 -11.550   0.821
  227    HA   GLN  33           HA       GLN  33 -10.428 -12.074  -1.603
  228   1HB   GLN  33           HB1      GLN  33 -12.428 -11.437  -0.247
  229   2HB   GLN  33           HB2      GLN  33 -11.555 -12.881   0.326
  230   1HG   GLN  33           HG1      GLN  33 -10.525 -11.663   2.200
  231   2HG   GLN  33           HG2      GLN  33 -11.162 -10.091   1.624
  232   1HE2  GLN  33          HE21      GLN  33 -13.420  -9.618   1.799
  233   2HE2  GLN  33          HE22      GLN  33 -14.475 -10.520   2.838
  234    H    HIS  34           HN       HIS  34  -9.396  -9.492   0.500
  235    HA   HIS  34           HA       HIS  34  -8.893  -7.391   0.163
  236   1HB   HIS  34           HB1      HIS  34 -10.168  -7.206  -2.592
  237   2HB   HIS  34           HB2      HIS  34  -8.870  -6.187  -1.901
  238    HD2  HIS  34           HD2      HIS  34  -7.149  -9.251  -1.016
  239    HE1  HIS  34           HE1      HIS  34  -7.099  -9.546  -5.233
  240    HE2  HIS  34           HE2      HIS  34  -6.160 -10.465  -3.044
  241    H    ASN  35           HN       ASN  35 -10.025  -5.250   0.438
  242    HA   ASN  35           HA       ASN  35 -12.865  -5.226   0.174
  243   1HB   ASN  35           HB1      ASN  35 -12.415  -6.594   2.376
  244   2HB   ASN  35           HB2      ASN  35 -11.735  -5.102   3.060
  245   1HD2  ASN  35          HD21      ASN  35 -14.940  -4.037   4.139
  246   2HD2  ASN  35          HD22      ASN  35 -13.221  -4.080   4.354
  247    H    TYR  36           HN       TYR  36 -11.167  -3.635  -1.205
  248    HA   TYR  36           HA       TYR  36 -11.476  -1.065   0.096
  249   1HB   TYR  36           HB1      TYR  36  -9.050  -1.189  -1.591
  250   2HB   TYR  36           HB2      TYR  36  -9.279  -0.485   0.043
  251    HD1  TYR  36           HD2      TYR  36  -9.043  -2.062   2.044
  252    HD2  TYR  36           HD1      TYR  36  -7.979  -3.250  -1.951
  253    HE1  TYR  36           HE2      TYR  36  -7.678  -3.899   2.956
  254    HE2  TYR  36           HE1      TYR  36  -6.611  -5.079  -1.047
  255    HH   TYR  36           HH       TYR  36  -5.832  -6.111   0.806
  256    H    LEU  37           HN       LEU  37 -12.654   0.171  -1.222
  257    HA   LEU  37           HA       LEU  37 -12.894  -0.569  -4.076
  258   1HB   LEU  37           HB1      LEU  37 -14.905   0.513  -2.037
  259   2HB   LEU  37           HB2      LEU  37 -15.158   0.738  -3.792
  260    HG   LEU  37           HG       LEU  37 -15.222  -1.661  -4.200
  261   1HD1  LEU  37          HD11      LEU  37 -15.562  -3.286  -2.269
  262   2HD1  LEU  37          HD12      LEU  37 -13.883  -2.716  -2.475
  263   3HD1  LEU  37          HD13      LEU  37 -14.910  -2.032  -1.152
  264   1HD2  LEU  37          HD21      LEU  37 -17.459  -2.059  -3.195
  265   2HD2  LEU  37          HD22      LEU  37 -17.180  -0.735  -2.005
  266   3HD2  LEU  37          HD23      LEU  37 -17.296  -0.359  -3.763
  267    H    CYS  38           HN       CYS  38 -11.624   0.826  -5.186
  268    HA   CYS  38           HA       CYS  38 -12.402   3.413  -5.495
  269   1HB   CYS  38           HB1      CYS  38 -10.755   3.434  -3.276
  270   2HB   CYS  38           HB2      CYS  38  -9.484   3.425  -4.524
  271    H    ALA  39           HN       ALA  39 -12.309   1.202  -6.788
  272    HA   ALA  39           HA       ALA  39 -10.018   1.068  -8.558
  273   1HB   ALA  39           HB1      ALA  39 -11.023  -1.118  -9.309
  274   2HB   ALA  39           HB2      ALA  39 -10.787  -1.072  -7.527
  275   3HB   ALA  39           HB3      ALA  39 -12.429  -0.806  -8.214
  276    H    GLY  40           HN       GLY  40 -13.101   2.366  -8.262
  277   1HA   GLY  40           HA1      GLY  40 -13.703   2.480 -11.131
  278   2HA   GLY  40           HA2      GLY  40 -14.771   2.848  -9.724
  279    H    ARG  41           HN       ARG  41 -12.068   4.299  -8.655
  280    HA   ARG  41           HA       ARG  41 -12.448   6.777 -10.158
  281   1HB   ARG  41           HB1      ARG  41 -12.053   6.391  -7.143
  282   2HB   ARG  41           HB2      ARG  41 -11.912   7.954  -8.011
  283   1HG   ARG  41           HG1      ARG  41 -14.453   6.209  -7.852
  284   2HG   ARG  41           HG2      ARG  41 -14.092   7.605  -6.797
  285   1HD   ARG  41           HD1      ARG  41 -14.103   9.162  -8.749
  286   2HD   ARG  41           HD2      ARG  41 -14.421   7.795  -9.883
  287    HE   ARG  41           HE       ARG  41 -16.266   8.829  -7.744
  288   1HH1  ARG  41          HH21      ARG  41 -17.402   5.652  -9.947
  289   2HH1  ARG  41          HH22      ARG  41 -15.817   6.301 -10.206
  290   1HH2  ARG  41          HH11      ARG  41 -18.877   6.696  -8.450
  291   2HH2  ARG  41          HH12      ARG  41 -18.390   8.123  -7.596
  292    H    ASN  42           HN       ASN  42 -10.321   5.932  -7.543
  293    HA   ASN  42           HA       ASN  42  -8.217   5.853  -7.225
  294   1HB   ASN  42           HB1      ASN  42  -8.005   3.907  -8.778
  295   2HB   ASN  42           HB2      ASN  42  -7.775   5.014 -10.148
  296   1HD2  ASN  42          HD21      ASN  42  -4.736   4.498  -7.332
  297   2HD2  ASN  42          HD22      ASN  42  -6.416   4.301  -6.913
  298    H    ASP  43           HN       ASP  43  -9.013   8.165  -6.998
  299    HA   ASP  43           HA       ASP  43  -7.636  10.002  -8.855
  300   1HB   ASP  43           HB1      ASP  43  -9.109  11.756  -7.373
  301   2HB   ASP  43           HB2      ASP  43  -9.614  11.002  -8.921
  302    H    CYS  44           HN       CYS  44  -8.501   9.522  -5.374
  303    HA   CYS  44           HA       CYS  44  -7.041  11.506  -4.483
  304   1HB   CYS  44           HB1      CYS  44  -7.195   9.763  -2.231
  305   2HB   CYS  44           HB2      CYS  44  -8.383  10.943  -2.780
  306    H    ILE  45           HN       ILE  45  -5.026  11.763  -3.429
  307    HA   ILE  45           HA       ILE  45  -2.938   9.877  -4.149
  308    HB   ILE  45           HB       ILE  45  -2.821  12.607  -2.748
  309   1HG1  ILE  45          HG11      ILE  45  -3.629  12.920  -5.024
  310   2HG1  ILE  45          HG12      ILE  45  -1.976  13.556  -4.839
  311   1HG2  ILE  45          HG21      ILE  45  -0.359  12.598  -3.284
  312   2HG2  ILE  45          HG22      ILE  45  -0.818  11.324  -2.106
  313   3HG2  ILE  45          HG23      ILE  45  -0.495  10.883  -3.824
  314   1HD1  ILE  45           HD1      ILE  45  -2.223  12.422  -7.020
  315   2HD1  ILE  45           HD2      ILE  45  -1.064  11.493  -6.007
  316   3HD1  ILE  45           HD3      ILE  45  -2.752  10.899  -6.226
  317    H    ILE  46           HN       ILE  46  -1.813   8.701  -2.611
  318    HA   ILE  46           HA       ILE  46  -2.948   8.614   0.101
  319    HB   ILE  46           HB       ILE  46  -2.358   6.587  -1.982
  320   1HG1  ILE  46          HG11      ILE  46  -4.067   5.297  -0.943
  321   2HG1  ILE  46          HG12      ILE  46  -3.942   6.173   0.611
  322   1HG2  ILE  46          HG21      ILE  46  -1.797   4.723  -0.462
  323   2HG2  ILE  46          HG22      ILE  46  -0.454   5.871  -0.710
  324   3HG2  ILE  46          HG23      ILE  46  -1.364   5.886   0.852
  325   1HD1  ILE  46           HD1      ILE  46  -5.989   6.685  -0.708
  326   2HD1  ILE  46           HD2      ILE  46  -5.016   8.164  -0.401
  327   3HD1  ILE  46           HD3      ILE  46  -4.967   7.370  -2.032
  328    H    ASP  47           HN       ASP  47  -1.740   9.406   1.557
  329    HA   ASP  47           HA       ASP  47   1.083   9.013   1.579
  330   1HB   ASP  47           HB1      ASP  47   1.785  11.297   1.882
  331   2HB   ASP  47           HB2      ASP  47   1.121  11.024   0.261
  332    H    LYS  48           HN       LYS  48   1.490  10.669   3.829
  333    HA   LYS  48           HA       LYS  48   0.705   8.923   5.768
  334   1HB   LYS  48           HB1      LYS  48   2.664  10.713   5.581
  335   2HB   LYS  48           HB2      LYS  48   1.556  11.768   6.475
  336   1HG   LYS  48           HG1      LYS  48   1.429   9.742   8.223
  337   2HG   LYS  48           HG2      LYS  48   2.803   9.082   7.296
  338   1HD   LYS  48           HD1      LYS  48   3.692  10.220   9.221
  339   2HD   LYS  48           HD2      LYS  48   4.103  11.217   7.789
  340   1HE   LYS  48           HE1      LYS  48   2.214  12.806   8.344
  341   2HE   LYS  48           HE2      LYS  48   1.736  11.758   9.734
  342   1HZ   LYS  48           HZ1      LYS  48   3.866  12.170  10.714
  343   2HZ   LYS  48           HZ2      LYS  48   4.325  13.154   9.407
  344   3HZ   LYS  48           HZ3      LYS  48   3.031  13.616  10.405
  345    H    ILE  49           HN       ILE  49  -1.267  11.409   4.570
  346    HA   ILE  49           HA       ILE  49  -2.878  11.524   7.040
  347    HB   ILE  49           HB       ILE  49  -2.236  13.600   4.900
  348   1HG1  ILE  49          HG11      ILE  49  -1.923  13.725   7.960
  349   2HG1  ILE  49          HG12      ILE  49  -0.614  13.369   6.795
  350   1HG2  ILE  49          HG21      ILE  49  -3.869  15.184   5.974
  351   2HG2  ILE  49          HG22      ILE  49  -4.645  13.752   5.219
  352   3HG2  ILE  49          HG23      ILE  49  -4.462  13.824   7.015
  353   1HD1  ILE  49           HD1      ILE  49  -0.446  15.707   7.475
  354   2HD1  ILE  49           HD2      ILE  49  -0.934  15.651   5.741
  355   3HD1  ILE  49           HD3      ILE  49  -2.153  16.035   7.016
  356    H    ARG  50           HN       ARG  50  -2.884  11.668   3.543
  357    HA   ARG  50           HA       ARG  50  -5.690  11.480   3.282
  358   1HB   ARG  50           HB1      ARG  50  -3.458  11.294   1.206
  359   2HB   ARG  50           HB2      ARG  50  -5.207  11.313   0.809
  360   1HG   ARG  50           HG1      ARG  50  -4.675  13.585   2.557
  361   2HG   ARG  50           HG2      ARG  50  -3.429  13.567   1.283
  362   1HD   ARG  50           HD1      ARG  50  -6.478  13.357   0.750
  363   2HD   ARG  50           HD2      ARG  50  -5.542  14.907   0.700
  364    HE   ARG  50           HE       ARG  50  -4.101  13.776  -1.061
  365   1HH1  ARG  50          HH21      ARG  50  -7.835  13.836  -2.585
  366   2HH1  ARG  50          HH22      ARG  50  -7.655  13.488  -0.896
  367   1HH2  ARG  50          HH11      ARG  50  -5.954  14.164  -3.935
  368   2HH2  ARG  50          HH12      ARG  50  -4.361  14.058  -3.261
  369    H    ARG  51           HN       ARG  51  -3.498   9.052   3.953
  370    HA   ARG  51           HA       ARG  51  -4.687   7.066   2.323
  371   1HB   ARG  51           HB1      ARG  51  -3.305   5.451   2.978
  372   2HB   ARG  51           HB2      ARG  51  -2.320   6.901   3.078
  373   1HG   ARG  51           HG1      ARG  51  -3.539   5.271   5.395
  374   2HG   ARG  51           HG2      ARG  51  -1.832   5.353   4.906
  375   1HD   ARG  51           HD1      ARG  51  -1.818   7.841   5.580
  376   2HD   ARG  51           HD2      ARG  51  -3.479   7.619   6.241
  377    HE   ARG  51           HE       ARG  51  -0.948   6.268   7.148
  378   1HH1  ARG  51          HH21      ARG  51  -4.409   5.186   8.884
  379   2HH1  ARG  51          HH22      ARG  51  -4.476   6.331   7.585
  380   1HH2  ARG  51          HH11      ARG  51  -2.348   4.432   9.693
  381   2HH2  ARG  51          HH12      ARG  51  -0.869   5.009   9.000
  382    H    LYS  52           HN       LYS  52  -6.080   8.597   4.843
  383    HA   LYS  52           HA       LYS  52  -7.519   6.389   5.990
  384   1HB   LYS  52           HB1      LYS  52  -7.504   9.395   6.613
  385   2HB   LYS  52           HB2      LYS  52  -8.413   8.155   7.539
  386   1HG   LYS  52           HG1      LYS  52  -6.342   7.075   8.271
  387   2HG   LYS  52           HG2      LYS  52  -5.348   8.162   7.254
  388   1HD   LYS  52           HD1      LYS  52  -5.248   8.893   9.590
  389   2HD   LYS  52           HD2      LYS  52  -6.026  10.132   8.569
  390   1HE   LYS  52           HE1      LYS  52  -7.212   9.952  10.739
  391   2HE   LYS  52           HE2      LYS  52  -8.308   9.413   9.417
  392   1HZ   LYS  52           HZ1      LYS  52  -8.397   7.982  11.298
  393   2HZ   LYS  52           HZ2      LYS  52  -7.753   7.151   9.963
  394   3HZ   LYS  52           HZ3      LYS  52  -6.729   7.670  11.215
  395    H    ASN  53           HN       ASN  53  -7.852   7.522   3.096
  396    HA   ASN  53           HA       ASN  53 -10.646   8.316   3.199
  397   1HB   ASN  53           HB1      ASN  53  -8.467   8.833   1.061
  398   2HB   ASN  53           HB2      ASN  53 -10.203   9.007   0.713
  399   1HD2  ASN  53          HD21      ASN  53  -8.438  11.767   3.321
  400   2HD2  ASN  53          HD22      ASN  53  -7.771  10.172   3.212
  401    H    CYS  54           HN       CYS  54  -8.195   6.018   2.100
  402    HA   CYS  54           HA       CYS  54 -10.127   4.025   1.739
  403   1HB   CYS  54           HB1      CYS  54  -9.515   3.521  -0.741
  404   2HB   CYS  54           HB2      CYS  54 -10.698   4.817  -0.425
  405    HA   PRO  55           HA       PRO  55  -5.996   2.054   1.797
  406   1HB   PRO  55           HB1      PRO  55  -7.158  -0.548   2.368
  407   2HB   PRO  55           HB2      PRO  55  -6.345   0.531   3.469
  408   1HG   PRO  55           HG1      PRO  55  -9.070  -0.073   3.595
  409   2HG   PRO  55           HG2      PRO  55  -8.321   1.352   4.298
  410   1HD   PRO  55           HD1      PRO  55  -9.709   1.137   1.614
  411   2HD   PRO  55           HD2      PRO  55  -9.882   2.378   2.860
  412    H    ALA  56           HN       ALA  56  -7.714   2.472  -0.778
  413    HA   ALA  56           HA       ALA  56  -7.436  -0.095  -2.115
  414   1HB   ALA  56           HB1      ALA  56  -9.037   0.874  -3.758
  415   2HB   ALA  56           HB2      ALA  56  -9.712   0.838  -2.088
  416   3HB   ALA  56           HB3      ALA  56  -9.080   2.378  -2.737
  417    H    CYS  57           HN       CYS  57  -6.913   3.517  -2.479
  418    HA   CYS  57           HA       CYS  57  -5.448   3.388  -4.784
  419   1HB   CYS  57           HB1      CYS  57  -5.687   5.397  -2.553
  420   2HB   CYS  57           HB2      CYS  57  -4.560   5.696  -3.876
  421    H    ARG  58           HN       ARG  58  -4.479   3.042  -1.466
  422    HA   ARG  58           HA       ARG  58  -1.770   3.251  -1.763
  423   1HB   ARG  58           HB1      ARG  58  -2.638   1.123   0.231
  424   2HB   ARG  58           HB2      ARG  58  -1.427   2.421   0.384
  425   1HG   ARG  58           HG1      ARG  58  -3.451   4.029   0.532
  426   2HG   ARG  58           HG2      ARG  58  -4.484   2.595   0.562
  427   1HD   ARG  58           HD1      ARG  58  -2.315   3.451   2.615
  428   2HD   ARG  58           HD2      ARG  58  -4.116   3.432   2.857
  429    HE   ARG  58           HE       ARG  58  -2.504   0.931   2.375
  430   1HH1  ARG  58          HH21      ARG  58  -3.706   1.887   6.098
  431   2HH1  ARG  58          HH22      ARG  58  -4.147   2.951   4.806
  432   1HH2  ARG  58          HH11      ARG  58  -2.574  -0.106   5.657
  433   2HH2  ARG  58          HH12      ARG  58  -2.166  -0.544   4.031
  434    H    TYR  59           HN       TYR  59  -3.946   0.601  -2.602
  435    HA   TYR  59           HA       TYR  59  -1.967  -1.438  -2.751
  436   1HB   TYR  59           HB1      TYR  59  -4.391  -1.964  -2.404
  437   2HB   TYR  59           HB2      TYR  59  -4.760  -1.301  -4.019
  438    HD1  TYR  59           HD1      TYR  59  -2.045  -3.719  -2.827
  439    HD2  TYR  59           HD2      TYR  59  -5.401  -3.000  -5.429
  440    HE1  TYR  59           HE1      TYR  59  -1.686  -5.912  -3.915
  441    HE2  TYR  59           HE2      TYR  59  -5.043  -5.190  -6.492
  442    HH   TYR  59           HH       TYR  59  -3.808  -7.047  -6.574
  443    H    ARG  60           HN       ARG  60  -3.516   0.877  -5.063
  444    HA   ARG  60           HA       ARG  60  -2.202   0.048  -7.319
  445   1HB   ARG  60           HB1      ARG  60  -4.349   1.414  -7.084
  446   2HB   ARG  60           HB2      ARG  60  -3.344   2.803  -6.615
  447   1HG   ARG  60           HG1      ARG  60  -3.968   3.048  -8.910
  448   2HG   ARG  60           HG2      ARG  60  -2.214   2.777  -8.823
  449   1HD   ARG  60           HD1      ARG  60  -3.254   1.579 -10.769
  450   2HD   ARG  60           HD2      ARG  60  -2.521   0.409  -9.607
  451    HE   ARG  60           HE       ARG  60  -4.732  -0.157  -8.812
  452   1HH1  ARG  60          HH21      ARG  60  -6.806   2.388 -11.147
  453   2HH1  ARG  60          HH22      ARG  60  -5.076   2.411 -11.253
  454   1HH2  ARG  60          HH11      ARG  60  -7.890   0.817  -9.800
  455   2HH2  ARG  60          HH12      ARG  60  -6.977  -0.343  -8.893
  456    H    LYS  61           HN       LYS  61  -1.415   2.410  -4.798
  457    HA   LYS  61           HA       LYS  61   0.669   3.657  -6.063
  458   1HB   LYS  61           HB1      LYS  61  -0.834   4.559  -4.249
  459   2HB   LYS  61           HB2      LYS  61  -0.041   3.466  -3.092
  460   1HG   LYS  61           HG1      LYS  61   0.891   5.621  -2.776
  461   2HG   LYS  61           HG2      LYS  61   2.158   4.660  -3.606
  462   1HD   LYS  61           HD1      LYS  61   1.361   5.771  -5.823
  463   2HD   LYS  61           HD2      LYS  61   0.279   6.785  -4.818
  464   1HE   LYS  61           HE1      LYS  61   2.303   8.084  -5.329
  465   2HE   LYS  61           HE2      LYS  61   2.346   7.668  -3.574
  466   1HZ   LYS  61           HZ1      LYS  61   3.821   5.847  -4.126
  467   2HZ   LYS  61           HZ2      LYS  61   3.806   6.305  -5.761
  468   3HZ   LYS  61           HZ3      LYS  61   4.443   7.356  -4.591
  469    H    CYS  62           HN       CYS  62   0.657   1.097  -3.637
  470    HA   CYS  62           HA       CYS  62   3.399   0.850  -3.433
  471   1HB   CYS  62           HB1      CYS  62   3.107  -1.035  -2.050
  472   2HB   CYS  62           HB2      CYS  62   1.808   0.097  -1.701
  473    HG1  CYS  62           HG1      CYS  62   1.602  -2.583  -3.619
  474    H    LEU  63           HN       LEU  63   1.113  -0.729  -5.622
  475    HA   LEU  63           HA       LEU  63   2.907  -2.467  -6.839
  476   1HB   LEU  63           HB1      LEU  63   0.226  -1.270  -7.687
  477   2HB   LEU  63           HB2      LEU  63   1.124  -2.336  -8.807
  478    HG   LEU  63           HG       LEU  63   0.311  -3.198  -5.972
  479   1HD1  LEU  63          HD11      LEU  63  -1.538  -4.472  -7.045
  480   2HD1  LEU  63          HD12      LEU  63  -1.734  -2.702  -7.299
  481   3HD1  LEU  63          HD13      LEU  63  -1.138  -3.744  -8.642
  482   1HD2  LEU  63          HD21      LEU  63   0.717  -5.517  -6.896
  483   2HD2  LEU  63          HD22      LEU  63   1.348  -4.781  -8.411
  484   3HD2  LEU  63          HD23      LEU  63   2.206  -4.512  -6.850
  485    H    GLN  64           HN       GLN  64   1.967   0.933  -7.563
  486    HA   GLN  64           HA       GLN  64   3.347   1.242  -9.895
  487   1HB   GLN  64           HB1      GLN  64   1.492   2.672  -8.936
  488   2HB   GLN  64           HB2      GLN  64   2.659   3.338  -7.760
  489   1HG   GLN  64           HG1      GLN  64   4.025   4.257  -9.711
  490   2HG   GLN  64           HG2      GLN  64   2.799   3.570 -10.834
  491   1HE2  GLN  64          HE21      GLN  64   3.143   5.822  -7.981
  492   2HE2  GLN  64          HE22      GLN  64   1.852   6.886  -8.427
  493    H    ALA  65           HN       ALA  65   4.287   1.453  -6.562
  494    HA   ALA  65           HA       ALA  65   6.769   2.660  -6.819
  495   1HB   ALA  65           HB1      ALA  65   7.198   2.137  -4.520
  496   2HB   ALA  65           HB2      ALA  65   5.446   2.489  -4.652
  497   3HB   ALA  65           HB3      ALA  65   6.002   0.787  -4.521
  498    H    GLY  66           HN       GLY  66   5.743  -0.665  -6.971
  499   1HA   GLY  66           HA1      GLY  66   6.895  -1.980  -8.590
  500   2HA   GLY  66           HA2      GLY  66   8.452  -1.514  -7.817
  501    H    MET  67           HN       MET  67   5.654  -2.150  -5.769
  502    HA   MET  67           HA       MET  67   6.987  -4.142  -4.352
  503   1HB   MET  67           HB1      MET  67   4.055  -3.334  -4.356
  504   2HB   MET  67           HB2      MET  67   4.625  -4.681  -3.342
  505   1HG   MET  67           HG1      MET  67   5.807  -1.841  -3.150
  506   2HG   MET  67           HG2      MET  67   4.431  -2.440  -2.185
  507   1HE   MET  67           HE1      MET  67   4.398  -3.800  -0.177
  508   2HE   MET  67           HE2      MET  67   5.757  -4.725   0.526
  509   3HE   MET  67           HE3      MET  67   4.965  -5.345  -0.966
  510    H    ASN  68           HN       ASN  68   6.629  -6.502  -4.186
  511    HA   ASN  68           HA       ASN  68   4.678  -7.704  -5.802
  512   1HB   ASN  68           HB1      ASN  68   6.826  -7.068  -7.453
  513   2HB   ASN  68           HB2      ASN  68   7.448  -8.579  -6.781
  514   1HD2  ASN  68          HD21      ASN  68   4.330 -10.355  -8.163
  515   2HD2  ASN  68          HD22      ASN  68   4.790  -9.913  -6.545
  516    H    LEU  69           HN       LEU  69   4.272  -9.541  -4.792
  517    HA   LEU  69           HA       LEU  69   5.866 -10.241  -2.502
  518   1HB   LEU  69           HB1      LEU  69   3.720  -9.739  -1.894
  519   2HB   LEU  69           HB2      LEU  69   3.022 -10.401  -3.404
  520    HG   LEU  69           HG       LEU  69   3.305 -12.745  -2.477
  521   1HD1  LEU  69          HD11      LEU  69   3.669 -13.090  -0.079
  522   2HD1  LEU  69          HD12      LEU  69   5.097 -12.208  -0.730
  523   3HD1  LEU  69          HD13      LEU  69   3.830 -11.321   0.206
  524   1HD2  LEU  69          HD21      LEU  69   1.347 -12.470  -0.868
  525   2HD2  LEU  69          HD22      LEU  69   1.552 -10.689  -1.045
  526   3HD2  LEU  69          HD23      LEU  69   1.152 -11.692  -2.481
  527    H    GLU  70           HN       GLU  70   6.750 -10.748  -5.124
  528    HA   GLU  70           HA       GLU  70   7.898 -13.267  -4.839
  529   1HB   GLU  70           HB1      GLU  70   6.301 -12.744  -7.427
  530   2HB   GLU  70           HB2      GLU  70   7.479 -14.077  -7.143
  531   1HG   GLU  70           HG1      GLU  70   5.908 -15.015  -5.363
  532   2HG   GLU  70           HG2      GLU  70   4.721 -13.724  -5.762
  533    H    ALA  71           HN       ALA  71   9.148 -11.331  -4.308
  534    HA   ALA  71           HA       ALA  71  10.476 -10.116  -6.638
  535   1HB   ALA  71           HB1      ALA  71  10.727  -7.983  -5.232
  536   2HB   ALA  71           HB2      ALA  71   9.028  -8.323  -5.638
  537   3HB   ALA  71           HB3      ALA  71   9.632  -8.736  -4.010
  538    H    ARG  72           HN       ARG  72  12.596  -9.068  -5.739
  539    HA   ARG  72           HA       ARG  72  13.898 -10.913  -3.847
  540   1HB   ARG  72           HB1      ARG  72  15.102  -9.304  -6.180
  541   2HB   ARG  72           HB2      ARG  72  16.042 -10.175  -4.933
  542   1HG   ARG  72           HG1      ARG  72  16.069 -11.575  -6.813
  543   2HG   ARG  72           HG2      ARG  72  14.936 -12.346  -5.664
  544   1HD   ARG  72           HD1      ARG  72  12.979 -11.501  -7.017
  545   2HD   ARG  72           HD2      ARG  72  14.100 -10.663  -8.154
  546    HE   ARG  72           HE       ARG  72  13.812 -13.624  -7.697
  547   1HH1  ARG  72          HH21      ARG  72  16.449 -12.322 -10.456
  548   2HH1  ARG  72          HH22      ARG  72  15.551 -11.135  -9.568
  549   1HH2  ARG  72          HH11      ARG  72  14.829 -15.125  -9.004
  550   2HH2  ARG  72          HH12      ARG  72  16.037 -14.606 -10.133
   
  No H/Q in entry =         550
  Start of MODEL   17
    1   1H    LEU   1           HT1      LEU   1  12.415   5.408   2.991
    2   2H    LEU   1           HT2      LEU   1  12.532   6.246   4.463
    3   3H    LEU   1           HT3      LEU   1  11.996   4.635   4.444
    4    HA   LEU   1           HA       LEU   1  10.192   6.096   4.766
    5   1HB   LEU   1           HB1      LEU   1  11.070   7.236   2.031
    6   2HB   LEU   1           HB2      LEU   1   9.502   7.628   2.796
    7    HG   LEU   1           HG       LEU   1  12.250   8.284   4.005
    8   1HD1  LEU   1          HD11      LEU   1  11.792  10.631   3.327
    9   2HD1  LEU   1          HD12      LEU   1  11.864   9.537   1.900
   10   3HD1  LEU   1          HD13      LEU   1  10.269  10.114   2.510
   11   1HD2  LEU   1          HD21      LEU   1  10.951   9.792   5.540
   12   2HD2  LEU   1          HD22      LEU   1   9.409   9.135   4.872
   13   3HD2  LEU   1          HD23      LEU   1  10.543   8.060   5.775
   14    H    CYS   2           HN       CYS   2   8.169   5.275   4.224
   15    HA   CYS   2           HA       CYS   2   7.835   3.054   2.617
   16   1HB   CYS   2           HB1      CYS   2   6.467   3.437   4.675
   17   2HB   CYS   2           HB2      CYS   2   5.758   4.921   3.883
   18    H    LEU   3           HN       LEU   3   7.214   2.987   0.402
   19    HA   LEU   3           HA       LEU   3   7.204   5.618  -0.773
   20   1HB   LEU   3           HB1      LEU   3   7.802   2.846  -1.782
   21   2HB   LEU   3           HB2      LEU   3   7.758   4.226  -2.937
   22    HG   LEU   3           HG       LEU   3   9.583   4.126  -0.482
   23   1HD1  LEU   3          HD11      LEU   3  11.481   3.668  -2.080
   24   2HD1  LEU   3          HD12      LEU   3  10.296   2.324  -1.997
   25   3HD1  LEU   3          HD13      LEU   3  10.287   3.443  -3.412
   26   1HD2  LEU   3          HD21      LEU   3  10.827   5.993  -1.595
   27   2HD2  LEU   3          HD22      LEU   3   9.597   6.025  -2.912
   28   3HD2  LEU   3          HD23      LEU   3   9.130   6.441  -1.221
   29    H    VAL   4           HN       VAL   4   4.992   4.040   0.411
   30    HA   VAL   4           HA       VAL   4   3.086   4.057  -1.823
   31    HB   VAL   4           HB       VAL   4   2.766   2.428   0.721
   32   1HG1  VAL   4          HG21      VAL   4   1.320   2.300  -1.957
   33   2HG1  VAL   4          HG22      VAL   4   1.042   1.216  -0.528
   34   3HG1  VAL   4          HG23      VAL   4   0.697   2.989  -0.410
   35   1HG2  VAL   4          HG11      VAL   4   3.982   1.479  -1.909
   36   2HG2  VAL   4          HG12      VAL   4   4.790   1.645  -0.306
   37   3HG2  VAL   4          HG13      VAL   4   3.479   0.431  -0.513
   38    H    CYS   5           HN       CYS   5   3.156   4.334   1.740
   39    HA   CYS   5           HA       CYS   5   1.083   6.442   1.455
   40   1HB   CYS   5           HB1      CYS   5   0.235   6.065   3.600
   41   2HB   CYS   5           HB2      CYS   5   0.151   4.569   2.652
   42    H    SER   6           HN       SER   6   4.096   6.403   1.322
   43    HA   SER   6           HA       SER   6   5.812   7.732   1.932
   44   1HB   SER   6           HB1      SER   6   3.797   9.918   1.951
   45   2HB   SER   6           HB2      SER   6   5.489   9.983   1.305
   46    HG   SER   6           HG1      SER   6   4.678   8.463  -0.263
   47    H    ASP   7           HN       ASP   7   5.444   6.491   4.116
   48    HA   ASP   7           HA       ASP   7   5.324   8.390   6.392
   49   1HB   ASP   7           HB1      ASP   7   3.468   6.640   6.091
   50   2HB   ASP   7           HB2      ASP   7   4.695   5.360   6.085
   51    H    GLU   8           HN       GLU   8   6.823   7.502   8.265
   52    HA   GLU   8           HA       GLU   8   9.378   6.984   7.313
   53   1HB   GLU   8           HB1      GLU   8   9.062   6.289  10.182
   54   2HB   GLU   8           HB2      GLU   8  10.220   7.327   9.337
   55   1HG   GLU   8           HG1      GLU   8   9.053   8.766  10.805
   56   2HG   GLU   8           HG2      GLU   8   8.374   9.137   9.194
   57    H    ALA   9           HN       ALA   9  10.181   5.076   6.497
   58    HA   ALA   9           HA       ALA   9   8.652   2.687   6.944
   59   1HB   ALA   9           HB1      ALA   9  10.529   1.720   5.289
   60   2HB   ALA   9           HB2      ALA   9   9.199   2.735   4.682
   61   3HB   ALA   9           HB3      ALA   9  10.844   3.444   5.012
   62    H    SER  10           HN       SER  10   9.533   0.655   7.429
   63    HA   SER  10           HA       SER  10  11.539   0.736   9.521
   64   1HB   SER  10           HB1      SER  10  10.717  -1.598  10.053
   65   2HB   SER  10           HB2      SER  10   9.479  -0.315  10.229
   66    HG   SER  10           HG1      SER  10   9.800  -2.024   7.993
   67    H    GLY  11           HN       GLY  11  10.776  -0.529   6.287
   68   1HA   GLY  11           HA1      GLY  11  13.136  -0.674   5.188
   69   2HA   GLY  11           HA2      GLY  11  13.094  -2.223   6.137
   70    H    CYS  12           HN       CYS  12  13.235  -2.484   3.415
   71    HA   CYS  12           HA       CYS  12  10.655  -2.682   2.216
   72   1HB   CYS  12           HB1      CYS  12  11.888  -3.819   0.324
   73   2HB   CYS  12           HB2      CYS  12  12.517  -2.212   0.737
   74    HG1  CYS  12           HG1      CYS  12  13.745  -5.125   1.740
   75    H    HIS  13           HN       HIS  13   9.730  -4.853   1.378
   76    HA   HIS  13           HA       HIS  13  10.720  -7.116   2.949
   77   1HB   HIS  13           HB1      HIS  13   8.934  -5.787   4.383
   78   2HB   HIS  13           HB2      HIS  13   7.746  -6.489   3.258
   79    HD2  HIS  13           HD2      HIS  13   7.400  -9.340   3.561
   80    HE1  HIS  13           HE1      HIS  13  10.160  -9.755   6.733
   81    HE2  HIS  13           HE2      HIS  13   8.377 -10.924   5.324
   82    H    TYR  14           HN       TYR  14   9.092  -5.746   0.235
   83    HA   TYR  14           HA       TYR  14   8.873  -8.394  -0.954
   84   1HB   TYR  14           HB1      TYR  14   6.758  -6.143  -1.097
   85   2HB   TYR  14           HB2      TYR  14   6.746  -7.482  -2.174
   86    HD1  TYR  14           HD1      TYR  14   7.420  -9.918  -0.566
   87    HD2  TYR  14           HD2      TYR  14   4.867  -6.638   0.410
   88    HE1  TYR  14           HE1      TYR  14   6.565 -11.195   1.273
   89    HE2  TYR  14           HE2      TYR  14   3.998  -7.925   2.302
   90    HH   TYR  14           HH       TYR  14   4.124  -9.862   3.496
   91    H    GLY  15           HN       GLY  15   8.062  -5.768  -2.953
   92   1HA   GLY  15           HA1      GLY  15  10.804  -5.915  -4.017
   93   2HA   GLY  15           HA2      GLY  15   9.299  -5.350  -4.802
   94    H    VAL  16           HN       VAL  16   9.014  -3.772  -1.949
   95    HA   VAL  16           HA       VAL  16  10.693  -1.501  -2.838
   96    HB   VAL  16           HB       VAL  16   7.728  -1.417  -2.219
   97   1HG1  VAL  16          HG21      VAL  16   9.384   0.865  -3.351
   98   2HG1  VAL  16          HG22      VAL  16   7.587   0.785  -3.181
   99   3HG1  VAL  16          HG23      VAL  16   8.600   0.765  -1.709
  100   1HG2  VAL  16          HG11      VAL  16   9.088  -1.109  -4.993
  101   2HG2  VAL  16          HG12      VAL  16   8.129  -2.526  -4.458
  102   3HG2  VAL  16          HG13      VAL  16   7.327  -0.939  -4.661
  103    H    LEU  17           HN       LEU  17  10.959   0.033  -1.416
  104    HA   LEU  17           HA       LEU  17  11.287  -0.569   1.322
  105   1HB   LEU  17           HB1      LEU  17  12.811   0.933  -0.042
  106   2HB   LEU  17           HB2      LEU  17  11.507   2.139  -0.119
  107    HG   LEU  17           HG       LEU  17  11.582   2.305   2.423
  108   1HD1  LEU  17          HD11      LEU  17  13.588   1.451   3.636
  109   2HD1  LEU  17          HD12      LEU  17  12.573   0.118   2.989
  110   3HD1  LEU  17          HD13      LEU  17  14.110   0.558   2.158
  111   1HD2  LEU  17          HD21      LEU  17  13.656   3.684   2.487
  112   2HD2  LEU  17          HD22      LEU  17  14.210   2.946   0.939
  113   3HD2  LEU  17          HD23      LEU  17  12.727   3.967   0.970
  114    H    THR  18           HN       THR  18   9.466  -0.842   2.559
  115    HA   THR  18           HA       THR  18   7.317   1.175   2.335
  116    HB   THR  18           HB       THR  18   5.890  -1.017   3.184
  117    HG1  THR  18           HG1      THR  18   6.731  -2.913   2.429
  118   1HG2  THR  18          HG21      THR  18   5.302  -1.719   1.058
  119   2HG2  THR  18          HG22      THR  18   5.545   0.068   1.006
  120   3HG2  THR  18          HG23      THR  18   6.794  -1.041   0.272
  121    H    CYS  19           HN       CYS  19   5.777   0.809   4.238
  122    HA   CYS  19           HA       CYS  19   7.415   1.248   6.568
  123   1HB   CYS  19           HB1      CYS  19   5.528   1.951   7.824
  124   2HB   CYS  19           HB2      CYS  19   5.763   2.891   6.410
  125    H    GLY  20           HN       GLY  20   5.406   0.234   8.505
  126   1HA   GLY  20           HA1      GLY  20   6.241  -2.553   8.581
  127   2HA   GLY  20           HA2      GLY  20   5.354  -1.580   9.814
  128    H    SER  21           HN       SER  21   3.257  -0.582   8.501
  129    HA   SER  21           HA       SER  21   1.529  -2.802   8.385
  130   1HB   SER  21           HB1      SER  21  -0.331  -1.210   8.087
  131   2HB   SER  21           HB2      SER  21   0.765  -0.767   9.431
  132    HG   SER  21           HG1      SER  21   0.191   0.988   8.167
  133    H    CYS  22           HN       CYS  22   2.980  -0.930   5.678
  134    HA   CYS  22           HA       CYS  22   1.109  -1.743   3.802
  135   1HB   CYS  22           HB1      CYS  22   3.808  -0.494   3.387
  136   2HB   CYS  22           HB2      CYS  22   2.800  -1.045   2.013
  137    H    LYS  23           HN       LYS  23   3.749  -3.409   5.119
  138    HA   LYS  23           HA       LYS  23   4.193  -5.281   3.138
  139   1HB   LYS  23           HB1      LYS  23   5.794  -4.901   4.927
  140   2HB   LYS  23           HB2      LYS  23   4.619  -5.365   6.174
  141   1HG   LYS  23           HG1      LYS  23   5.695  -7.357   4.062
  142   2HG   LYS  23           HG2      LYS  23   6.515  -6.989   5.607
  143   1HD   LYS  23           HD1      LYS  23   4.286  -7.630   6.794
  144   2HD   LYS  23           HD2      LYS  23   3.809  -8.385   5.236
  145   1HE   LYS  23           HE1      LYS  23   5.843  -9.874   5.338
  146   2HE   LYS  23           HE2      LYS  23   6.321  -9.103   6.899
  147   1HZ   LYS  23           HZ1      LYS  23   5.174 -11.148   7.210
  148   2HZ   LYS  23           HZ2      LYS  23   4.262  -9.857   7.834
  149   3HZ   LYS  23           HZ3      LYS  23   3.815 -10.581   6.364
  150    H    VAL  24           HN       VAL  24   2.470  -5.566   6.153
  151    HA   VAL  24           HA       VAL  24   1.204  -7.960   5.754
  152    HB   VAL  24           HB       VAL  24   0.252  -5.608   7.529
  153   1HG1  VAL  24          HG21      VAL  24  -0.056  -8.626   8.070
  154   2HG1  VAL  24          HG22      VAL  24  -0.559  -7.266   9.158
  155   3HG1  VAL  24          HG23      VAL  24  -1.367  -7.493   7.568
  156   1HG2  VAL  24          HG11      VAL  24   2.461  -7.619   8.244
  157   2HG2  VAL  24          HG12      VAL  24   2.639  -5.839   7.963
  158   3HG2  VAL  24          HG13      VAL  24   1.703  -6.428   9.366
  159    H    PHE  25           HN       PHE  25   0.122  -4.773   5.052
  160    HA   PHE  25           HA       PHE  25  -2.556  -5.066   4.529
  161   1HB   PHE  25           HB1      PHE  25  -1.434  -2.873   4.759
  162   2HB   PHE  25           HB2      PHE  25  -0.321  -3.253   3.435
  163    HD1  PHE  25           HD1      PHE  25  -4.164  -3.405   3.618
  164    HD2  PHE  25           HD2      PHE  25  -0.615  -1.831   1.749
  165    HE1  PHE  25           HE1      PHE  25  -5.537  -2.400   1.818
  166    HE2  PHE  25           HE2      PHE  25  -1.960  -0.892  -0.040
  167    HZ   PHE  25           HZ       PHE  25  -4.434  -1.180  -0.045
  168    H    PHE  26           HN       PHE  26   0.133  -4.854   2.319
  169    HA   PHE  26           HA       PHE  26  -1.100  -5.574  -0.019
  170   1HB   PHE  26           HB1      PHE  26   0.975  -4.222   0.118
  171   2HB   PHE  26           HB2      PHE  26   1.854  -5.616   0.805
  172    HD1  PHE  26           HD2      PHE  26  -0.120  -4.671  -2.333
  173    HD2  PHE  26           HD1      PHE  26   3.027  -6.989  -0.579
  174    HE1  PHE  26           HE2      PHE  26   0.647  -5.344  -4.590
  175    HE2  PHE  26           HE1      PHE  26   3.832  -7.609  -2.801
  176    HZ   PHE  26           HZ       PHE  26   2.627  -6.868  -4.822
  177    H    LYS  27           HN       LYS  27   0.648  -7.542   2.268
  178    HA   LYS  27           HA       LYS  27   0.822  -9.871   0.735
  179   1HB   LYS  27           HB1      LYS  27   2.420  -9.563   2.424
  180   2HB   LYS  27           HB2      LYS  27   1.164  -9.392   3.707
  181   1HG   LYS  27           HG1      LYS  27   0.638 -11.976   3.061
  182   2HG   LYS  27           HG2      LYS  27   2.241 -11.886   2.289
  183   1HD   LYS  27           HD1      LYS  27   2.688 -12.741   4.461
  184   2HD   LYS  27           HD2      LYS  27   3.109 -11.016   4.611
  185   1HE   LYS  27           HE1      LYS  27   1.926 -11.549   6.614
  186   2HE   LYS  27           HE2      LYS  27   0.753 -10.608   5.622
  187   1HZ   LYS  27           HZ1      LYS  27  -0.235 -12.515   6.600
  188   2HZ   LYS  27           HZ2      LYS  27  -0.193 -12.702   4.913
  189   3HZ   LYS  27           HZ3      LYS  27   0.906 -13.556   5.889
  190    H    ARG  28           HN       ARG  28  -1.783  -8.674   2.836
  191    HA   ARG  28           HA       ARG  28  -3.303 -11.131   2.413
  192   1HB   ARG  28           HB1      ARG  28  -3.517  -8.812   4.336
  193   2HB   ARG  28           HB2      ARG  28  -5.050  -9.546   3.807
  194   1HG   ARG  28           HG1      ARG  28  -4.555 -10.721   5.764
  195   2HG   ARG  28           HG2      ARG  28  -4.207 -11.823   4.417
  196   1HD   ARG  28           HD1      ARG  28  -2.309 -12.243   5.715
  197   2HD   ARG  28           HD2      ARG  28  -1.666 -10.902   4.705
  198    HE   ARG  28           HE       ARG  28  -2.048  -9.362   6.547
  199   1HH1  ARG  28          HH21      ARG  28  -3.524 -12.097   9.126
  200   2HH1  ARG  28          HH22      ARG  28  -3.094 -12.624   7.533
  201   1HH2  ARG  28          HH11      ARG  28  -3.137  -9.893   9.788
  202   2HH2  ARG  28          HH12      ARG  28  -2.414  -8.759   8.696
  203    H    ALA  29           HN       ALA  29  -3.129  -7.849   1.297
  204    HA   ALA  29           HA       ALA  29  -5.642  -7.661   0.093
  205   1HB   ALA  29           HB1      ALA  29  -4.778  -5.671  -1.104
  206   2HB   ALA  29           HB2      ALA  29  -4.238  -5.658   0.597
  207   3HB   ALA  29           HB3      ALA  29  -3.077  -6.156  -0.668
  208    H    VAL  30           HN       VAL  30  -2.639  -9.072  -0.977
  209    HA   VAL  30           HA       VAL  30  -3.352  -9.290  -3.754
  210    HB   VAL  30           HB       VAL  30  -0.932 -10.096  -2.074
  211   1HG1  VAL  30          HG21      VAL  30  -1.240 -10.362  -5.122
  212   2HG1  VAL  30          HG22      VAL  30   0.294 -10.604  -4.182
  213   3HG1  VAL  30          HG23      VAL  30  -1.105 -11.716  -3.929
  214   1HG2  VAL  30          HG11      VAL  30  -0.929  -7.984  -4.309
  215   2HG2  VAL  30          HG12      VAL  30  -1.279  -7.569  -2.602
  216   3HG2  VAL  30          HG13      VAL  30   0.293  -8.308  -3.013
  217    H    GLU  31           HN       GLU  31  -2.464 -11.397  -1.075
  218    HA   GLU  31           HA       GLU  31  -3.730 -13.719  -2.351
  219   1HB   GLU  31           HB1      GLU  31  -1.813 -13.535   0.022
  220   2HB   GLU  31           HB2      GLU  31  -2.588 -15.056  -0.501
  221   1HG   GLU  31           HG1      GLU  31  -0.749 -13.333  -2.288
  222   2HG   GLU  31           HG2      GLU  31  -0.200 -14.742  -1.326
  223    H    GLY  32           HN       GLY  32  -5.594 -12.237  -1.936
  224   1HA   GLY  32           HA1      GLY  32  -7.264 -13.532  -0.090
  225   2HA   GLY  32           HA2      GLY  32  -6.841 -11.864   0.486
  226    H    GLN  33           HN       GLN  33  -9.275 -11.650   0.150
  227    HA   GLN  33           HA       GLN  33  -9.806 -10.543  -2.475
  228   1HB   GLN  33           HB1      GLN  33 -12.218 -11.691  -2.151
  229   2HB   GLN  33           HB2      GLN  33 -10.880 -12.469  -3.011
  230   1HG   GLN  33           HG1      GLN  33 -11.907 -14.161  -1.709
  231   2HG   GLN  33           HG2      GLN  33 -10.296 -13.877  -1.014
  232   1HE2  GLN  33          HE21      GLN  33 -10.214 -12.589   1.077
  233   2HE2  GLN  33          HE22      GLN  33 -11.554 -12.683   2.169
  234    H    HIS  34           HN       HIS  34  -9.296  -8.637  -1.213
  235    HA   HIS  34           HA       HIS  34 -10.918  -8.038   1.059
  236   1HB   HIS  34           HB1      HIS  34  -8.754  -6.535  -0.414
  237   2HB   HIS  34           HB2      HIS  34  -9.765  -5.738   0.849
  238    HD2  HIS  34           HD2      HIS  34  -7.618  -9.100   0.657
  239    HE1  HIS  34           HE1      HIS  34  -7.441  -7.469   4.563
  240    HE2  HIS  34           HE2      HIS  34  -6.644  -9.359   3.042
  241    H    ASN  35           HN       ASN  35 -10.331  -6.252  -2.025
  242    HA   ASN  35           HA       ASN  35 -11.554  -5.244  -3.464
  243   1HB   ASN  35           HB1      ASN  35 -14.157  -6.144  -2.092
  244   2HB   ASN  35           HB2      ASN  35 -14.040  -5.281  -3.653
  245   1HD2  ASN  35          HD21      ASN  35 -12.887  -8.108  -5.559
  246   2HD2  ASN  35          HD22      ASN  35 -12.899  -6.378  -5.475
  247    H    TYR  36           HN       TYR  36 -11.047  -3.194  -3.319
  248    HA   TYR  36           HA       TYR  36 -12.063  -1.589  -1.101
  249   1HB   TYR  36           HB1      TYR  36  -9.667  -0.877  -2.781
  250   2HB   TYR  36           HB2      TYR  36 -10.139  -0.243  -1.147
  251    HD1  TYR  36           HD1      TYR  36 -10.238  -2.001   0.741
  252    HD2  TYR  36           HD2      TYR  36  -7.920  -2.580  -2.857
  253    HE1  TYR  36           HE1      TYR  36  -8.736  -3.532   1.938
  254    HE2  TYR  36           HE2      TYR  36  -6.460  -4.116  -1.665
  255    HH   TYR  36           HH       TYR  36  -6.953  -4.872   1.818
  256    H    LEU  37           HN       LEU  37 -12.223   0.841  -1.678
  257    HA   LEU  37           HA       LEU  37 -14.225   0.950  -3.726
  258   1HB   LEU  37           HB1      LEU  37 -14.481   1.557  -1.251
  259   2HB   LEU  37           HB2      LEU  37 -13.477   2.988  -1.572
  260    HG   LEU  37           HG       LEU  37 -15.269   3.874  -3.118
  261   1HD1  LEU  37          HD11      LEU  37 -17.510   2.797  -3.234
  262   2HD1  LEU  37          HD12      LEU  37 -16.245   1.758  -3.967
  263   3HD1  LEU  37          HD13      LEU  37 -16.889   1.370  -2.327
  264   1HD2  LEU  37          HD21      LEU  37 -16.931   4.460  -1.430
  265   2HD2  LEU  37          HD22      LEU  37 -16.376   3.125  -0.353
  266   3HD2  LEU  37          HD23      LEU  37 -15.276   4.505  -0.726
  267    H    CYS  38           HN       CYS  38 -11.577   1.038  -4.734
  268    HA   CYS  38           HA       CYS  38 -11.988   3.116  -6.603
  269   1HB   CYS  38           HB1      CYS  38  -9.316   3.254  -5.042
  270   2HB   CYS  38           HB2      CYS  38  -9.474   3.784  -6.722
  271    H    ALA  39           HN       ALA  39 -12.459   1.505  -7.833
  272    HA   ALA  39           HA       ALA  39 -10.522  -0.570  -8.415
  273   1HB   ALA  39           HB1      ALA  39 -12.509  -1.880  -9.267
  274   2HB   ALA  39           HB2      ALA  39 -12.714  -1.429  -7.538
  275   3HB   ALA  39           HB3      ALA  39 -13.572  -0.486  -8.811
  276    H    GLY  40           HN       GLY  40 -12.009   2.294  -9.454
  277   1HA   GLY  40           HA1      GLY  40 -10.706   2.224 -11.967
  278   2HA   GLY  40           HA2      GLY  40 -12.500   1.979 -12.104
  279    H    ARG  41           HN       ARG  41 -10.655   4.013  -9.692
  280    HA   ARG  41           HA       ARG  41 -11.776   6.400 -10.966
  281   1HB   ARG  41           HB1      ARG  41 -11.340   6.151  -7.950
  282   2HB   ARG  41           HB2      ARG  41 -12.107   7.472  -8.880
  283   1HG   ARG  41           HG1      ARG  41 -14.011   5.853  -9.418
  284   2HG   ARG  41           HG2      ARG  41 -13.169   4.611  -8.427
  285   1HD   ARG  41           HD1      ARG  41 -13.290   6.258  -6.427
  286   2HD   ARG  41           HD2      ARG  41 -14.362   7.296  -7.456
  287    HE   ARG  41           HE       ARG  41 -14.954   4.395  -6.884
  288   1HH1  ARG  41          HH21      ARG  41 -16.949   7.258  -4.876
  289   2HH1  ARG  41          HH22      ARG  41 -15.773   7.761  -6.044
  290   1HH2  ARG  41          HH11      ARG  41 -17.436   4.992  -4.583
  291   2HH2  ARG  41          HH12      ARG  41 -16.626   3.789  -5.529
  292    H    ASN  42           HN       ASN  42  -9.693   5.761  -8.281
  293    HA   ASN  42           HA       ASN  42  -7.676   6.085  -7.673
  294   1HB   ASN  42           HB1      ASN  42  -7.043   4.471  -9.486
  295   2HB   ASN  42           HB2      ASN  42  -6.809   5.832 -10.615
  296   1HD2  ASN  42          HD21      ASN  42  -3.362   5.257  -9.687
  297   2HD2  ASN  42          HD22      ASN  42  -4.598   4.862 -10.835
  298    H    ASP  43           HN       ASP  43  -8.739   8.085  -7.136
  299    HA   ASP  43           HA       ASP  43  -7.723  10.451  -8.604
  300   1HB   ASP  43           HB1      ASP  43  -9.445  11.734  -7.142
  301   2HB   ASP  43           HB2      ASP  43 -10.019  10.833  -8.597
  302    H    CYS  44           HN       CYS  44  -8.602   9.318  -5.260
  303    HA   CYS  44           HA       CYS  44  -7.479  11.350  -4.114
  304   1HB   CYS  44           HB1      CYS  44  -7.597   9.204  -2.129
  305   2HB   CYS  44           HB2      CYS  44  -8.695  10.547  -2.459
  306    H    ILE  45           HN       ILE  45  -5.501  11.665  -2.793
  307    HA   ILE  45           HA       ILE  45  -3.247  10.022  -3.671
  308    HB   ILE  45           HB       ILE  45  -3.249  12.676  -2.147
  309   1HG1  ILE  45          HG11      ILE  45  -4.207  13.089  -4.335
  310   2HG1  ILE  45          HG12      ILE  45  -2.566  13.772  -4.237
  311   1HG2  ILE  45          HG21      ILE  45  -0.829  12.838  -2.824
  312   2HG2  ILE  45          HG22      ILE  45  -1.138  11.467  -1.708
  313   3HG2  ILE  45          HG23      ILE  45  -0.906  11.156  -3.465
  314   1HD1  ILE  45           HD1      ILE  45  -2.939  12.731  -6.455
  315   2HD1  ILE  45           HD2      ILE  45  -1.669  11.812  -5.572
  316   3HD1  ILE  45           HD3      ILE  45  -3.344  11.152  -5.696
  317    H    ILE  46           HN       ILE  46  -2.005   8.878  -2.272
  318    HA   ILE  46           HA       ILE  46  -2.954   8.528   0.491
  319    HB   ILE  46           HB       ILE  46  -2.411   6.688  -1.799
  320   1HG1  ILE  46          HG11      ILE  46  -4.095   5.302  -0.868
  321   2HG1  ILE  46          HG12      ILE  46  -3.944   5.998   0.763
  322   1HG2  ILE  46          HG21      ILE  46  -1.862   4.702  -0.426
  323   2HG2  ILE  46          HG22      ILE  46  -0.495   5.852  -0.614
  324   3HG2  ILE  46          HG23      ILE  46  -1.382   5.763   0.953
  325   1HD1  ILE  46           HD1      ILE  46  -6.015   6.631  -0.411
  326   2HD1  ILE  46           HD2      ILE  46  -5.063   8.069   0.044
  327   3HD1  ILE  46           HD3      ILE  46  -5.063   7.486  -1.681
  328    H    ASP  47           HN       ASP  47  -1.646   9.502   1.800
  329    HA   ASP  47           HA       ASP  47   1.163   9.012   1.660
  330   1HB   ASP  47           HB1      ASP  47   1.996  11.211   1.863
  331   2HB   ASP  47           HB2      ASP  47   1.191  11.017   0.296
  332    H    LYS  48           HN       LYS  48   1.849  10.656   3.843
  333    HA   LYS  48           HA       LYS  48   1.073   8.997   5.842
  334   1HB   LYS  48           HB1      LYS  48   3.146  10.506   5.523
  335   2HB   LYS  48           HB2      LYS  48   2.242  11.779   6.357
  336   1HG   LYS  48           HG1      LYS  48   2.275   9.090   7.753
  337   2HG   LYS  48           HG2      LYS  48   3.890   9.788   7.487
  338   1HD   LYS  48           HD1      LYS  48   1.589  11.271   8.917
  339   2HD   LYS  48           HD2      LYS  48   2.833  10.304   9.749
  340   1HE   LYS  48           HE1      LYS  48   3.420  12.813   8.016
  341   2HE   LYS  48           HE2      LYS  48   3.322  12.770   9.815
  342   1HZ   LYS  48           HZ1      LYS  48   5.553  12.665   9.046
  343   2HZ   LYS  48           HZ2      LYS  48   5.131  11.220   9.834
  344   3HZ   LYS  48           HZ3      LYS  48   5.235  11.264   8.139
  345    H    ILE  49           HN       ILE  49  -0.883  11.520   4.751
  346    HA   ILE  49           HA       ILE  49  -2.353  11.671   7.299
  347    HB   ILE  49           HB       ILE  49  -1.958  13.706   5.055
  348   1HG1  ILE  49          HG11      ILE  49  -0.095  13.759   6.592
  349   2HG1  ILE  49          HG12      ILE  49  -1.080  15.235   6.758
  350   1HG2  ILE  49          HG21      ILE  49  -3.482  15.280   6.286
  351   2HG2  ILE  49          HG22      ILE  49  -4.302  13.826   5.609
  352   3HG2  ILE  49          HG23      ILE  49  -3.961  13.914   7.377
  353   1HD1  ILE  49           HD1      ILE  49  -2.125  14.290   8.873
  354   2HD1  ILE  49           HD2      ILE  49  -1.065  12.838   8.720
  355   3HD1  ILE  49           HD3      ILE  49  -0.336  14.460   8.981
  356    H    ARG  50           HN       ARG  50  -2.597  11.841   3.808
  357    HA   ARG  50           HA       ARG  50  -5.414  11.512   3.787
  358   1HB   ARG  50           HB1      ARG  50  -3.404  11.523   1.481
  359   2HB   ARG  50           HB2      ARG  50  -5.186  11.697   1.309
  360   1HG   ARG  50           HG1      ARG  50  -3.320  13.674   2.764
  361   2HG   ARG  50           HG2      ARG  50  -3.974  13.852   1.111
  362   1HD   ARG  50           HD1      ARG  50  -6.313  13.954   1.980
  363   2HD   ARG  50           HD2      ARG  50  -5.713  13.694   3.673
  364    HE   ARG  50           HE       ARG  50  -4.805  16.015   1.992
  365   1HH1  ARG  50          HH21      ARG  50  -7.622  16.578   4.810
  366   2HH1  ARG  50          HH22      ARG  50  -7.036  14.967   4.556
  367   1HH2  ARG  50          HH11      ARG  50  -6.679  18.378   3.651
  368   2HH2  ARG  50          HH12      ARG  50  -5.386  18.116   2.527
  369    H    ARG  51           HN       ARG  51  -3.094   9.176   4.134
  370    HA   ARG  51           HA       ARG  51  -4.145   7.292   2.319
  371   1HB   ARG  51           HB1      ARG  51  -2.691   5.694   2.823
  372   2HB   ARG  51           HB2      ARG  51  -1.781   7.136   3.105
  373   1HG   ARG  51           HG1      ARG  51  -3.014   5.231   5.190
  374   2HG   ARG  51           HG2      ARG  51  -1.297   5.428   4.826
  375   1HD   ARG  51           HD1      ARG  51  -1.366   7.790   5.798
  376   2HD   ARG  51           HD2      ARG  51  -3.098   7.530   6.233
  377    HE   ARG  51           HE       ARG  51  -0.710   6.039   7.288
  378   1HH1  ARG  51          HH21      ARG  51  -4.374   4.824   8.406
  379   2HH1  ARG  51          HH22      ARG  51  -4.261   6.105   7.245
  380   1HH2  ARG  51          HH11      ARG  51  -2.443   3.952   9.399
  381   2HH2  ARG  51          HH12      ARG  51  -0.883   4.581   8.983
  382    H    LYS  52           HN       LYS  52  -5.432   8.259   5.312
  383    HA   LYS  52           HA       LYS  52  -6.683   5.795   5.969
  384   1HB   LYS  52           HB1      LYS  52  -7.587   6.925   7.892
  385   2HB   LYS  52           HB2      LYS  52  -5.851   7.249   7.703
  386   1HG   LYS  52           HG1      LYS  52  -6.599   9.314   8.369
  387   2HG   LYS  52           HG2      LYS  52  -6.504   9.517   6.600
  388   1HD   LYS  52           HD1      LYS  52  -8.501  10.603   7.510
  389   2HD   LYS  52           HD2      LYS  52  -8.997   9.275   6.433
  390   1HE   LYS  52           HE1      LYS  52  -9.484   7.812   8.445
  391   2HE   LYS  52           HE2      LYS  52  -8.960   9.155   9.532
  392   1HZ   LYS  52           HZ1      LYS  52 -11.320   9.037   9.246
  393   2HZ   LYS  52           HZ2      LYS  52 -10.701  10.497   8.636
  394   3HZ   LYS  52           HZ3      LYS  52 -11.170   9.261   7.569
  395    H    ASN  53           HN       ASN  53  -7.209   8.120   3.691
  396    HA   ASN  53           HA       ASN  53 -10.060   8.267   3.739
  397   1HB   ASN  53           HB1      ASN  53  -8.077   9.263   1.585
  398   2HB   ASN  53           HB2      ASN  53  -9.825   9.611   1.614
  399   1HD2  ASN  53          HD21      ASN  53  -7.905  12.544   3.028
  400   2HD2  ASN  53          HD22      ASN  53  -7.769  11.609   1.576
  401    H    CYS  54           HN       CYS  54  -7.574   6.171   2.396
  402    HA   CYS  54           HA       CYS  54  -9.617   4.648   1.068
  403   1HB   CYS  54           HB1      CYS  54  -8.070   6.568  -0.443
  404   2HB   CYS  54           HB2      CYS  54  -7.359   5.004  -0.870
  405    HA   PRO  55           HA       PRO  55  -6.344   1.595   1.896
  406   1HB   PRO  55           HB1      PRO  55  -8.698  -0.258   1.764
  407   2HB   PRO  55           HB2      PRO  55  -7.455  -0.146   2.994
  408   1HG   PRO  55           HG1      PRO  55  -9.967   0.743   3.467
  409   2HG   PRO  55           HG2      PRO  55  -8.587   1.645   4.081
  410   1HD   PRO  55           HD1      PRO  55 -10.124   2.182   1.504
  411   2HD   PRO  55           HD2      PRO  55  -9.737   3.318   2.810
  412    H    ALA  56           HN       ALA  56  -8.273   2.517  -0.784
  413    HA   ALA  56           HA       ALA  56  -7.887   0.151  -2.357
  414   1HB   ALA  56           HB1      ALA  56  -9.327   1.277  -4.015
  415   2HB   ALA  56           HB2      ALA  56 -10.100   1.430  -2.397
  416   3HB   ALA  56           HB3      ALA  56  -9.229   2.814  -3.070
  417    H    CYS  57           HN       CYS  57  -7.156   3.672  -2.484
  418    HA   CYS  57           HA       CYS  57  -5.512   3.619  -4.650
  419   1HB   CYS  57           HB1      CYS  57  -5.875   5.487  -2.301
  420   2HB   CYS  57           HB2      CYS  57  -4.688   5.849  -3.562
  421    H    ARG  58           HN       ARG  58  -4.738   3.098  -1.299
  422    HA   ARG  58           HA       ARG  58  -2.013   3.087  -1.460
  423   1HB   ARG  58           HB1      ARG  58  -3.541   1.028   0.270
  424   2HB   ARG  58           HB2      ARG  58  -1.879   1.654   0.531
  425   1HG   ARG  58           HG1      ARG  58  -3.416   3.956   0.648
  426   2HG   ARG  58           HG2      ARG  58  -4.569   2.741   1.236
  427   1HD   ARG  58           HD1      ARG  58  -1.734   3.249   2.382
  428   2HD   ARG  58           HD2      ARG  58  -3.270   3.832   3.129
  429    HE   ARG  58           HE       ARG  58  -2.389   0.989   2.903
  430   1HH1  ARG  58          HH21      ARG  58  -5.918   1.907   4.654
  431   2HH1  ARG  58          HH22      ARG  58  -4.990   3.193   3.962
  432   1HH2  ARG  58          HH11      ARG  58  -5.074  -0.267   4.711
  433   2HH2  ARG  58          HH12      ARG  58  -3.511  -0.621   4.056
  434    H    TYR  59           HN       TYR  59  -4.369   0.572  -2.376
  435    HA   TYR  59           HA       TYR  59  -2.487  -1.548  -2.611
  436   1HB   TYR  59           HB1      TYR  59  -4.909  -1.931  -2.080
  437   2HB   TYR  59           HB2      TYR  59  -5.357  -1.305  -3.688
  438    HD1  TYR  59           HD1      TYR  59  -3.011  -3.936  -2.232
  439    HD2  TYR  59           HD2      TYR  59  -5.813  -2.879  -5.324
  440    HE1  TYR  59           HE1      TYR  59  -2.877  -6.239  -3.156
  441    HE2  TYR  59           HE2      TYR  59  -5.646  -5.156  -6.251
  442    HH   TYR  59           HH       TYR  59  -4.720  -7.192  -6.069
  443    H    ARG  60           HN       ARG  60  -3.950   0.920  -4.711
  444    HA   ARG  60           HA       ARG  60  -2.823   0.006  -7.107
  445   1HB   ARG  60           HB1      ARG  60  -3.972   2.740  -6.358
  446   2HB   ARG  60           HB2      ARG  60  -3.421   2.306  -8.005
  447   1HG   ARG  60           HG1      ARG  60  -5.027   0.417  -8.080
  448   2HG   ARG  60           HG2      ARG  60  -5.667   0.852  -6.467
  449   1HD   ARG  60           HD1      ARG  60  -6.583   2.961  -7.260
  450   2HD   ARG  60           HD2      ARG  60  -5.659   2.871  -8.810
  451    HE   ARG  60           HE       ARG  60  -7.962   1.113  -8.020
  452   1HH1  ARG  60          HH21      ARG  60  -6.198   0.657 -11.624
  453   2HH1  ARG  60          HH22      ARG  60  -5.696   1.990 -10.638
  454   1HH2  ARG  60          HH11      ARG  60  -7.895  -0.781 -10.895
  455   2HH2  ARG  60          HH12      ARG  60  -8.666  -0.524  -9.366
  456    H    LYS  61           HN       LYS  61  -1.716   2.261  -4.623
  457    HA   LYS  61           HA       LYS  61   0.267   3.418  -6.104
  458   1HB   LYS  61           HB1      LYS  61  -0.981   4.441  -4.224
  459   2HB   LYS  61           HB2      LYS  61  -0.237   3.281  -3.100
  460   1HG   LYS  61           HG1      LYS  61   0.826   5.298  -2.766
  461   2HG   LYS  61           HG2      LYS  61   2.040   4.357  -3.683
  462   1HD   LYS  61           HD1      LYS  61   0.129   6.477  -4.875
  463   2HD   LYS  61           HD2      LYS  61   1.742   6.870  -4.226
  464   1HE   LYS  61           HE1      LYS  61   1.218   5.091  -6.709
  465   2HE   LYS  61           HE2      LYS  61   1.848   6.765  -6.687
  466   1HZ   LYS  61           HZ1      LYS  61   3.164   4.401  -5.502
  467   2HZ   LYS  61           HZ2      LYS  61   3.569   5.177  -6.956
  468   3HZ   LYS  61           HZ3      LYS  61   3.754   5.993  -5.478
  469    H    CYS  62           HN       CYS  62   0.459   0.829  -3.735
  470    HA   CYS  62           HA       CYS  62   3.205   0.507  -3.726
  471   1HB   CYS  62           HB1      CYS  62   2.757  -1.930  -3.033
  472   2HB   CYS  62           HB2      CYS  62   2.196  -0.632  -1.951
  473    HG1  CYS  62           HG1      CYS  62   0.561  -2.621  -1.905
  474    H    LEU  63           HN       LEU  63   0.791  -0.818  -5.956
  475    HA   LEU  63           HA       LEU  63   2.496  -2.538  -7.322
  476   1HB   LEU  63           HB1      LEU  63  -0.126  -1.197  -8.180
  477   2HB   LEU  63           HB2      LEU  63   0.684  -2.450  -9.166
  478    HG   LEU  63           HG       LEU  63  -0.234  -2.900  -6.266
  479   1HD1  LEU  63          HD11      LEU  63  -2.192  -4.110  -7.182
  480   2HD1  LEU  63          HD12      LEU  63  -2.207  -2.386  -7.696
  481   3HD1  LEU  63          HD13      LEU  63  -1.711  -3.667  -8.862
  482   1HD2  LEU  63          HD21      LEU  63  -0.036  -5.334  -6.856
  483   2HD2  LEU  63          HD22      LEU  63   0.664  -4.881  -8.452
  484   3HD2  LEU  63          HD23      LEU  63   1.541  -4.475  -6.930
  485    H    GLN  64           HN       GLN  64   1.662   0.897  -7.856
  486    HA   GLN  64           HA       GLN  64   3.028   1.237 -10.236
  487   1HB   GLN  64           HB1      GLN  64   2.280   3.222  -8.038
  488   2HB   GLN  64           HB2      GLN  64   3.018   3.732  -9.588
  489   1HG   GLN  64           HG1      GLN  64   1.119   2.959 -10.898
  490   2HG   GLN  64           HG2      GLN  64   0.393   2.111  -9.502
  491   1HE2  GLN  64          HE21      GLN  64   1.475   5.451 -10.518
  492   2HE2  GLN  64          HE22      GLN  64   0.203   6.300  -9.705
  493    H    ALA  65           HN       ALA  65   4.008   1.350  -6.915
  494    HA   ALA  65           HA       ALA  65   6.535   2.456  -7.199
  495   1HB   ALA  65           HB1      ALA  65   6.995   1.827  -4.910
  496   2HB   ALA  65           HB2      ALA  65   5.304   2.413  -5.031
  497   3HB   ALA  65           HB3      ALA  65   5.621   0.650  -4.908
  498    H    GLY  66           HN       GLY  66   5.466  -0.886  -7.126
  499   1HA   GLY  66           HA1      GLY  66   6.494  -2.268  -8.799
  500   2HA   GLY  66           HA2      GLY  66   8.103  -1.742  -8.188
  501    H    MET  67           HN       MET  67   5.484  -2.348  -5.913
  502    HA   MET  67           HA       MET  67   6.992  -4.224  -4.506
  503   1HB   MET  67           HB1      MET  67   4.071  -3.429  -4.252
  504   2HB   MET  67           HB2      MET  67   4.767  -4.746  -3.260
  505   1HG   MET  67           HG1      MET  67   6.617  -3.165  -2.515
  506   2HG   MET  67           HG2      MET  67   5.722  -1.829  -3.324
  507   1HE   MET  67           HE1      MET  67   4.860  -5.036  -1.099
  508   2HE   MET  67           HE2      MET  67   4.103  -4.280   0.361
  509   3HE   MET  67           HE3      MET  67   5.872  -4.110   0.075
  510    H    ASN  68           HN       ASN  68   6.613  -6.572  -4.090
  511    HA   ASN  68           HA       ASN  68   4.687  -7.887  -5.707
  512   1HB   ASN  68           HB1      ASN  68   6.810  -7.446  -7.319
  513   2HB   ASN  68           HB2      ASN  68   7.568  -8.743  -6.423
  514   1HD2  ASN  68          HD21      ASN  68   4.192 -10.352  -8.143
  515   2HD2  ASN  68          HD22      ASN  68   4.061  -9.153  -6.898
  516    H    LEU  69           HN       LEU  69   4.017  -9.442  -4.550
  517    HA   LEU  69           HA       LEU  69   5.414 -10.253  -2.172
  518   1HB   LEU  69           HB1      LEU  69   3.209  -9.674  -1.773
  519   2HB   LEU  69           HB2      LEU  69   2.613 -10.519  -3.247
  520    HG   LEU  69           HG       LEU  69   3.202 -12.755  -2.079
  521   1HD1  LEU  69          HD11      LEU  69   3.337 -12.746   0.403
  522   2HD1  LEU  69          HD12      LEU  69   4.741 -11.909  -0.343
  523   3HD1  LEU  69          HD13      LEU  69   3.404 -10.941   0.400
  524   1HD2  LEU  69          HD21      LEU  69   1.096 -12.715  -0.701
  525   2HD2  LEU  69          HD22      LEU  69   0.999 -10.932  -0.973
  526   3HD2  LEU  69          HD23      LEU  69   0.926 -12.050  -2.370
  527    H    GLU  70           HN       GLU  70   7.089 -11.283  -2.869
  528    HA   GLU  70           HA       GLU  70   8.246 -13.165  -3.144
  529   1HB   GLU  70           HB1      GLU  70   6.363 -14.086  -5.368
  530   2HB   GLU  70           HB2      GLU  70   7.934 -14.834  -4.930
  531   1HG   GLU  70           HG1      GLU  70   7.075 -15.429  -2.659
  532   2HG   GLU  70           HG2      GLU  70   5.511 -14.630  -2.997
  533    H    ALA  71           HN       ALA  71   9.307 -11.209  -3.456
  534    HA   ALA  71           HA       ALA  71   9.814 -10.339  -6.233
  535   1HB   ALA  71           HB1      ALA  71  10.558  -8.120  -5.051
  536   2HB   ALA  71           HB2      ALA  71   8.824  -8.435  -5.020
  537   3HB   ALA  71           HB3      ALA  71   9.793  -8.807  -3.566
  538    H    ARG  72           HN       ARG  72  12.068  -9.108  -6.131
  539    HA   ARG  72           HA       ARG  72  14.070 -10.674  -4.670
  540   1HB   ARG  72           HB1      ARG  72  14.082 -11.504  -6.990
  541   2HB   ARG  72           HB2      ARG  72  14.051  -9.840  -7.628
  542   1HG   ARG  72           HG1      ARG  72  16.285 -10.876  -7.862
  543   2HG   ARG  72           HG2      ARG  72  16.336  -9.412  -6.842
  544   1HD   ARG  72           HD1      ARG  72  16.389 -10.916  -4.752
  545   2HD   ARG  72           HD2      ARG  72  16.409 -12.351  -5.846
  546    HE   ARG  72           HE       ARG  72  18.558 -11.655  -6.697
  547   1HH1  ARG  72          HH21      ARG  72  18.917  -8.259  -4.561
  548   2HH1  ARG  72          HH22      ARG  72  17.478  -9.201  -4.351
  549   1HH2  ARG  72          HH11      ARG  72  20.501 -10.540  -6.767
  550   2HH2  ARG  72          HH12      ARG  72  20.643  -9.023  -5.942
   
  No H/Q in entry =         550
  Start of MODEL   18
    1   1H    LEU   1           HT1      LEU   1  12.039   5.191   4.004
    2   2H    LEU   1           HT2      LEU   1  11.912   6.085   5.443
    3   3H    LEU   1           HT3      LEU   1  11.268   4.515   5.359
    4    HA   LEU   1           HA       LEU   1   9.554   6.097   5.254
    5   1HB   LEU   1           HB1      LEU   1  11.209   7.178   2.899
    6   2HB   LEU   1           HB2      LEU   1   9.453   7.467   2.952
    7    HG   LEU   1           HG       LEU   1  10.737   9.377   3.723
    8   1HD1  LEU   1          HD11      LEU   1   8.398   9.066   4.477
    9   2HD1  LEU   1          HD12      LEU   1   8.970   8.201   5.950
   10   3HD1  LEU   1          HD13      LEU   1   9.383   9.932   5.710
   11   1HD2  LEU   1          HD21      LEU   1  11.901   9.493   5.873
   12   2HD2  LEU   1          HD22      LEU   1  11.592   7.752   6.198
   13   3HD2  LEU   1          HD23      LEU   1  12.665   8.241   4.830
   14    H    CYS   2           HN       CYS   2   7.737   5.148   4.563
   15    HA   CYS   2           HA       CYS   2   7.527   2.984   2.859
   16   1HB   CYS   2           HB1      CYS   2   6.038   3.330   4.830
   17   2HB   CYS   2           HB2      CYS   2   5.396   4.853   4.048
   18    H    LEU   3           HN       LEU   3   6.954   2.986   0.626
   19    HA   LEU   3           HA       LEU   3   7.069   5.644  -0.492
   20   1HB   LEU   3           HB1      LEU   3   7.730   2.878  -1.514
   21   2HB   LEU   3           HB2      LEU   3   7.788   4.292  -2.630
   22    HG   LEU   3           HG       LEU   3   9.407   4.102  -0.036
   23   1HD1  LEU   3          HD11      LEU   3  11.425   3.658  -1.465
   24   2HD1  LEU   3          HD12      LEU   3  10.216   2.336  -1.561
   25   3HD1  LEU   3          HD13      LEU   3  10.363   3.516  -2.915
   26   1HD2  LEU   3          HD21      LEU   3  10.752   5.991  -0.987
   27   2HD2  LEU   3          HD22      LEU   3   9.625   6.077  -2.393
   28   3HD2  LEU   3          HD23      LEU   3   9.034   6.441  -0.729
   29    H    VAL   4           HN       VAL   4   4.797   4.136   0.526
   30    HA   VAL   4           HA       VAL   4   3.019   4.123  -1.820
   31    HB   VAL   4           HB       VAL   4   2.619   2.496   0.727
   32   1HG1  VAL   4          HG21      VAL   4   1.218   2.279  -1.961
   33   2HG1  VAL   4          HG22      VAL   4   0.903   1.304  -0.459
   34   3HG1  VAL   4          HG23      VAL   4   0.574   3.072  -0.472
   35   1HG2  VAL   4          HG11      VAL   4   3.949   1.611  -1.863
   36   2HG2  VAL   4          HG12      VAL   4   4.663   1.724  -0.224
   37   3HG2  VAL   4          HG13      VAL   4   3.375   0.507  -0.535
   38    H    CYS   5           HN       CYS   5   2.961   4.425   1.722
   39    HA   CYS   5           HA       CYS   5   0.873   6.498   1.391
   40   1HB   CYS   5           HB1      CYS   5  -0.173   6.007   3.422
   41   2HB   CYS   5           HB2      CYS   5  -0.107   4.545   2.434
   42    H    SER   6           HN       SER   6   3.889   6.407   1.415
   43    HA   SER   6           HA       SER   6   5.564   7.720   2.045
   44   1HB   SER   6           HB1      SER   6   3.578   9.942   1.949
   45   2HB   SER   6           HB2      SER   6   5.269   9.942   1.303
   46    HG   SER   6           HG1      SER   6   4.405   8.355  -0.192
   47    H    ASP   7           HN       ASP   7   4.925   6.546   4.264
   48    HA   ASP   7           HA       ASP   7   4.918   8.541   6.464
   49   1HB   ASP   7           HB1      ASP   7   2.867   7.000   6.113
   50   2HB   ASP   7           HB2      ASP   7   3.934   5.594   6.269
   51    H    GLU   8           HN       GLU   8   6.230   7.406   8.437
   52    HA   GLU   8           HA       GLU   8   8.774   6.740   7.529
   53   1HB   GLU   8           HB1      GLU   8   8.736   5.877  10.222
   54   2HB   GLU   8           HB2      GLU   8   9.273   7.436   9.562
   55   1HG   GLU   8           HG1      GLU   8   7.020   8.446   9.887
   56   2HG   GLU   8           HG2      GLU   8   6.375   6.879  10.491
   57    H    ALA   9           HN       ALA   9   9.578   4.792   6.766
   58    HA   ALA   9           HA       ALA   9   7.906   2.478   6.991
   59   1HB   ALA   9           HB1      ALA   9   9.886   1.349   5.646
   60   2HB   ALA   9           HB2      ALA   9   8.800   2.480   4.817
   61   3HB   ALA   9           HB3      ALA   9  10.434   3.025   5.406
   62    H    SER  10           HN       SER  10   8.750   0.348   7.632
   63    HA   SER  10           HA       SER  10  10.742   0.496   9.773
   64   1HB   SER  10           HB1      SER  10   8.333   0.591  10.650
   65   2HB   SER  10           HB2      SER  10   8.065  -1.029   9.937
   66    HG   SER  10           HG1      SER  10   8.655  -1.048  12.136
   67    H    GLY  11           HN       GLY  11  11.411  -0.095   7.208
   68   1HA   GLY  11           HA1      GLY  11  12.991  -1.843   6.839
   69   2HA   GLY  11           HA2      GLY  11  11.675  -3.041   7.153
   70    H    CYS  12           HN       CYS  12  12.334  -3.814   4.968
   71    HA   CYS  12           HA       CYS  12  10.641  -2.607   2.949
   72   1HB   CYS  12           HB1      CYS  12  12.417  -3.065   1.177
   73   2HB   CYS  12           HB2      CYS  12  12.757  -1.679   2.231
   74    HG1  CYS  12           HG1      CYS  12  14.986  -2.842   1.628
   75    H    HIS  13           HN       HIS  13   9.481  -4.280   1.878
   76    HA   HIS  13           HA       HIS  13  10.565  -6.880   1.803
   77   1HB   HIS  13           HB1      HIS  13   9.711  -6.740   4.270
   78   2HB   HIS  13           HB2      HIS  13   8.073  -6.645   3.596
   79    HD2  HIS  13           HD2      HIS  13   7.142  -9.186   4.193
   80    HE1  HIS  13           HE1      HIS  13  10.563 -11.357   2.990
   81    HE2  HIS  13           HE2      HIS  13   8.182 -11.511   3.909
   82    H    TYR  14           HN       TYR  14   9.632  -8.020   0.249
   83    HA   TYR  14           HA       TYR  14   8.451  -8.652  -1.399
   84   1HB   TYR  14           HB1      TYR  14   6.276  -6.574  -1.096
   85   2HB   TYR  14           HB2      TYR  14   6.129  -8.020  -2.004
   86    HD1  TYR  14           HD1      TYR  14   7.063 -10.337  -0.369
   87    HD2  TYR  14           HD2      TYR  14   5.095  -6.771   0.700
   88    HE1  TYR  14           HE1      TYR  14   6.326 -11.437   1.683
   89    HE2  TYR  14           HE2      TYR  14   4.266  -7.853   2.817
   90    HH   TYR  14           HH       TYR  14   5.185 -11.214   3.625
   91    H    GLY  15           HN       GLY  15  10.325  -6.742  -1.107
   92   1HA   GLY  15           HA1      GLY  15  11.903  -6.220  -2.701
   93   2HA   GLY  15           HA2      GLY  15  10.612  -5.900  -3.899
   94    H    VAL  16           HN       VAL  16   9.426  -4.060  -1.476
   95    HA   VAL  16           HA       VAL  16  11.143  -1.764  -2.205
   96    HB   VAL  16           HB       VAL  16   8.142  -1.626  -1.840
   97   1HG1  VAL  16          HG21      VAL  16  10.066   0.234  -3.324
   98   2HG1  VAL  16          HG22      VAL  16   8.267   0.309  -3.368
   99   3HG1  VAL  16          HG23      VAL  16   9.107   0.568  -1.814
  100   1HG2  VAL  16          HG11      VAL  16   9.514  -2.131  -4.553
  101   2HG2  VAL  16          HG12      VAL  16   8.400  -3.250  -3.683
  102   3HG2  VAL  16          HG13      VAL  16   7.787  -1.667  -4.301
  103    H    LEU  17           HN       LEU  17  11.160  -0.107  -0.853
  104    HA   LEU  17           HA       LEU  17  11.076  -0.515   1.925
  105   1HB   LEU  17           HB1      LEU  17  12.692   0.974   0.562
  106   2HB   LEU  17           HB2      LEU  17  11.366   2.146   0.417
  107    HG   LEU  17           HG       LEU  17  11.307   2.212   3.006
  108   1HD1  LEU  17          HD11      LEU  17  13.350   1.515   4.233
  109   2HD1  LEU  17          HD12      LEU  17  12.574   0.091   3.461
  110   3HD1  LEU  17          HD13      LEU  17  14.047   0.811   2.726
  111   1HD2  LEU  17          HD21      LEU  17  13.194   3.808   3.149
  112   2HD2  LEU  17          HD22      LEU  17  13.911   3.147   1.634
  113   3HD2  LEU  17          HD23      LEU  17  12.338   4.015   1.577
  114    H    THR  18           HN       THR  18   9.072  -0.935   2.746
  115    HA   THR  18           HA       THR  18   6.959   1.088   2.375
  116    HB   THR  18           HB       THR  18   5.488  -1.211   2.972
  117    HG1  THR  18           HG1      THR  18   7.400  -2.438   3.115
  118   1HG2  THR  18          HG21      THR  18   5.011  -1.674   0.647
  119   2HG2  THR  18          HG22      THR  18   5.065   0.090   1.004
  120   3HG2  THR  18          HG23      THR  18   6.444  -0.696   0.114
  121    H    CYS  19           HN       CYS  19   5.295   0.739   4.175
  122    HA   CYS  19           HA       CYS  19   6.835   0.945   6.582
  123   1HB   CYS  19           HB1      CYS  19   4.972   1.689   7.832
  124   2HB   CYS  19           HB2      CYS  19   5.274   2.663   6.465
  125    H    GLY  20           HN       GLY  20   5.036  -0.028   8.542
  126   1HA   GLY  20           HA1      GLY  20   5.661  -2.828   8.512
  127   2HA   GLY  20           HA2      GLY  20   4.780  -1.865   9.760
  128    H    SER  21           HN       SER  21   2.738  -0.787   8.338
  129    HA   SER  21           HA       SER  21   0.916  -2.901   8.178
  130   1HB   SER  21           HB1      SER  21   0.494  -0.514   9.012
  131   2HB   SER  21           HB2      SER  21   0.450   0.018   7.301
  132    HG   SER  21           HG1      SER  21  -1.205  -1.922   8.564
  133    H    CYS  22           HN       CYS  22   2.460  -0.970   5.509
  134    HA   CYS  22           HA       CYS  22   0.736  -1.824   3.491
  135   1HB   CYS  22           HB1      CYS  22   3.465  -0.541   3.355
  136   2HB   CYS  22           HB2      CYS  22   2.591  -1.061   1.876
  137    H    LYS  23           HN       LYS  23   3.408  -3.327   4.957
  138    HA   LYS  23           HA       LYS  23   4.014  -5.253   3.085
  139   1HB   LYS  23           HB1      LYS  23   5.439  -4.588   5.040
  140   2HB   LYS  23           HB2      LYS  23   4.270  -5.370   6.132
  141   1HG   LYS  23           HG1      LYS  23   4.812  -7.614   5.055
  142   2HG   LYS  23           HG2      LYS  23   5.979  -6.788   3.981
  143   1HD   LYS  23           HD1      LYS  23   7.174  -7.829   5.852
  144   2HD   LYS  23           HD2      LYS  23   7.309  -6.052   5.985
  145   1HE   LYS  23           HE1      LYS  23   5.556  -6.029   7.788
  146   2HE   LYS  23           HE2      LYS  23   5.305  -7.807   7.585
  147   1HZ   LYS  23           HZ1      LYS  23   7.812  -6.473   8.413
  148   2HZ   LYS  23           HZ2      LYS  23   6.708  -7.284   9.418
  149   3HZ   LYS  23           HZ3      LYS  23   7.570  -8.145   8.234
  150    H    VAL  24           HN       VAL  24   2.124  -5.506   6.047
  151    HA   VAL  24           HA       VAL  24   1.051  -8.014   5.621
  152    HB   VAL  24           HB       VAL  24  -0.111  -5.756   7.380
  153   1HG1  VAL  24          HG21      VAL  24  -0.318  -8.809   7.778
  154   2HG1  VAL  24          HG22      VAL  24  -0.878  -7.535   8.938
  155   3HG1  VAL  24          HG23      VAL  24  -1.653  -7.685   7.323
  156   1HG2  VAL  24          HG11      VAL  24   2.171  -7.681   8.118
  157   2HG2  VAL  24          HG12      VAL  24   2.254  -5.890   7.904
  158   3HG2  VAL  24          HG13      VAL  24   1.310  -6.573   9.257
  159    H    PHE  25           HN       PHE  25  -0.140  -4.896   4.850
  160    HA   PHE  25           HA       PHE  25  -2.765  -5.263   4.168
  161   1HB   PHE  25           HB1      PHE  25  -1.696  -3.040   4.391
  162   2HB   PHE  25           HB2      PHE  25  -0.523  -3.426   3.128
  163    HD1  PHE  25           HD2      PHE  25  -4.301  -2.963   3.564
  164    HD2  PHE  25           HD1      PHE  25  -0.849  -2.799   0.996
  165    HE1  PHE  25           HE2      PHE  25  -5.688  -2.048   1.728
  166    HE2  PHE  25           HE1      PHE  25  -2.190  -1.879  -0.786
  167    HZ   PHE  25           HZ       PHE  25  -4.653  -1.524  -0.478
  168    H    PHE  26           HN       PHE  26   0.100  -5.140   2.171
  169    HA   PHE  26           HA       PHE  26  -0.976  -5.826  -0.249
  170   1HB   PHE  26           HB1      PHE  26   1.106  -4.546  -0.012
  171   2HB   PHE  26           HB2      PHE  26   1.925  -5.965   0.714
  172    HD1  PHE  26           HD1      PHE  26   0.032  -4.988  -2.441
  173    HD2  PHE  26           HD2      PHE  26   3.183  -7.318  -0.683
  174    HE1  PHE  26           HE1      PHE  26   0.799  -5.645  -4.689
  175    HE2  PHE  26           HE2      PHE  26   3.966  -7.940  -2.913
  176    HZ   PHE  26           HZ       PHE  26   2.778  -7.171  -4.937
  177    H    LYS  27           HN       LYS  27   0.583  -7.853   2.136
  178    HA   LYS  27           HA       LYS  27   0.665 -10.202   0.599
  179   1HB   LYS  27           HB1      LYS  27   2.189  -9.973   2.434
  180   2HB   LYS  27           HB2      LYS  27   0.833  -9.825   3.607
  181   1HG   LYS  27           HG1      LYS  27   0.208 -12.286   2.938
  182   2HG   LYS  27           HG2      LYS  27   1.740 -12.320   2.022
  183   1HD   LYS  27           HD1      LYS  27   1.965 -13.403   4.211
  184   2HD   LYS  27           HD2      LYS  27   3.009 -11.958   4.155
  185   1HE   LYS  27           HE1      LYS  27   1.380 -10.667   5.553
  186   2HE   LYS  27           HE2      LYS  27   0.212 -12.045   5.500
  187   1HZ   LYS  27           HZ1      LYS  27   2.926 -12.104   6.676
  188   2HZ   LYS  27           HZ2      LYS  27   1.456 -11.964   7.516
  189   3HZ   LYS  27           HZ3      LYS  27   1.804 -13.380   6.646
  190    H    ARG  28           HN       ARG  28  -1.931  -8.804   2.555
  191    HA   ARG  28           HA       ARG  28  -3.635 -11.116   2.250
  192   1HB   ARG  28           HB1      ARG  28  -3.690  -8.544   3.778
  193   2HB   ARG  28           HB2      ARG  28  -5.282  -8.991   3.124
  194   1HG   ARG  28           HG1      ARG  28  -5.157  -9.871   5.318
  195   2HG   ARG  28           HG2      ARG  28  -5.159 -11.228   4.148
  196   1HD   ARG  28           HD1      ARG  28  -2.692 -11.557   4.466
  197   2HD   ARG  28           HD2      ARG  28  -2.606 -10.131   5.569
  198    HE   ARG  28           HE       ARG  28  -4.038 -12.727   6.083
  199   1HH1  ARG  28          HH21      ARG  28  -4.197  -9.812   8.861
  200   2HH1  ARG  28          HH22      ARG  28  -3.313  -9.497   7.404
  201   1HH2  ARG  28          HH11      ARG  28  -5.155 -11.917   9.235
  202   2HH2  ARG  28          HH12      ARG  28  -4.987 -13.177   8.058
  203    H    ALA  29           HN       ALA  29  -3.267  -7.904   0.952
  204    HA   ALA  29           HA       ALA  29  -5.571  -7.719  -0.560
  205   1HB   ALA  29           HB1      ALA  29  -4.421  -5.740  -1.645
  206   2HB   ALA  29           HB2      ALA  29  -4.260  -5.740   0.137
  207   3HB   ALA  29           HB3      ALA  29  -2.880  -6.293  -0.877
  208    H    VAL  30           HN       VAL  30  -2.756  -9.507  -1.203
  209    HA   VAL  30           HA       VAL  30  -3.168  -9.594  -4.104
  210    HB   VAL  30           HB       VAL  30  -0.834 -10.439  -2.339
  211   1HG1  VAL  30          HG21      VAL  30  -0.907 -10.441  -5.415
  212   2HG1  VAL  30          HG22      VAL  30   0.423 -11.022  -4.321
  213   3HG1  VAL  30          HG23      VAL  30  -1.149 -11.914  -4.409
  214   1HG2  VAL  30          HG11      VAL  30  -0.664  -8.264  -4.491
  215   2HG2  VAL  30          HG12      VAL  30  -1.162  -7.879  -2.816
  216   3HG2  VAL  30          HG13      VAL  30   0.433  -8.630  -3.098
  217    H    GLU  31           HN       GLU  31  -1.953 -11.885  -1.726
  218    HA   GLU  31           HA       GLU  31  -3.584 -14.026  -2.898
  219   1HB   GLU  31           HB1      GLU  31  -1.112 -14.252  -1.100
  220   2HB   GLU  31           HB2      GLU  31  -2.030 -15.610  -1.841
  221   1HG   GLU  31           HG1      GLU  31  -1.446 -14.599  -4.159
  222   2HG   GLU  31           HG2      GLU  31  -0.378 -13.446  -3.290
  223    H    GLY  32           HN       GLY  32  -5.220 -12.613  -1.611
  224   1HA   GLY  32           HA1      GLY  32  -6.108 -14.345   0.483
  225   2HA   GLY  32           HA2      GLY  32  -5.483 -12.776   1.131
  226    H    GLN  33           HN       GLN  33  -7.315 -11.766   1.826
  227    HA   GLN  33           HA       GLN  33  -9.604 -11.493   0.044
  228   1HB   GLN  33           HB1      GLN  33 -10.028 -12.615   2.233
  229   2HB   GLN  33           HB2      GLN  33  -9.151 -11.328   3.085
  230   1HG   GLN  33           HG1      GLN  33 -11.525 -11.036   3.459
  231   2HG   GLN  33           HG2      GLN  33 -10.912  -9.669   2.481
  232   1HE2  GLN  33          HE21      GLN  33 -12.232  -9.140   0.746
  233   2HE2  GLN  33          HE22      GLN  33 -13.311 -10.209  -0.089
  234    H    HIS  34           HN       HIS  34 -10.022  -9.451  -0.699
  235    HA   HIS  34           HA       HIS  34  -8.526  -7.194   0.422
  236   1HB   HIS  34           HB1      HIS  34  -8.835  -6.619  -2.369
  237   2HB   HIS  34           HB2      HIS  34  -7.356  -6.874  -1.429
  238    HD2  HIS  34           HD2      HIS  34  -6.806  -9.823  -1.101
  239    HE1  HIS  34           HE1      HIS  34  -7.950 -10.355  -5.150
  240    HE2  HIS  34           HE2      HIS  34  -6.685 -11.379  -3.178
  241    H    ASN  35           HN       ASN  35  -9.823  -5.385   0.702
  242    HA   ASN  35           HA       ASN  35 -12.116  -4.909  -0.845
  243   1HB   ASN  35           HB1      ASN  35 -13.823  -4.803   1.024
  244   2HB   ASN  35           HB2      ASN  35 -13.420  -6.438   0.456
  245   1HD2  ASN  35          HD21      ASN  35 -12.000  -7.590   3.542
  246   2HD2  ASN  35          HD22      ASN  35 -12.042  -7.834   1.827
  247    H    TYR  36           HN       TYR  36 -11.619  -2.835  -1.264
  248    HA   TYR  36           HA       TYR  36 -11.310  -1.018   0.956
  249   1HB   TYR  36           HB1      TYR  36  -9.377   0.021  -0.756
  250   2HB   TYR  36           HB2      TYR  36  -9.063  -0.859   0.745
  251    HD1  TYR  36           HD2      TYR  36  -9.361  -1.396  -2.971
  252    HD2  TYR  36           HD1      TYR  36  -7.910  -2.913   0.786
  253    HE1  TYR  36           HE2      TYR  36  -8.067  -3.106  -4.166
  254    HE2  TYR  36           HE1      TYR  36  -6.616  -4.633  -0.412
  255    HH   TYR  36           HH       TYR  36  -6.639  -4.819  -4.008
  256    H    LEU  37           HN       LEU  37 -11.298  -1.505  -2.612
  257    HA   LEU  37           HA       LEU  37 -12.453  -0.801  -4.238
  258   1HB   LEU  37           HB1      LEU  37 -14.642   0.176  -2.333
  259   2HB   LEU  37           HB2      LEU  37 -14.780   0.011  -4.102
  260    HG   LEU  37           HG       LEU  37 -15.912  -1.793  -3.307
  261   1HD1  LEU  37          HD11      LEU  37 -14.744  -3.833  -4.020
  262   2HD1  LEU  37          HD12      LEU  37 -14.323  -2.460  -5.107
  263   3HD1  LEU  37          HD13      LEU  37 -13.143  -3.027  -3.866
  264   1HD2  LEU  37          HD21      LEU  37 -15.404  -3.322  -1.533
  265   2HD2  LEU  37          HD22      LEU  37 -13.746  -2.679  -1.331
  266   3HD2  LEU  37          HD23      LEU  37 -15.166  -1.654  -0.905
  267    H    CYS  38           HN       CYS  38 -11.800   0.751  -5.577
  268    HA   CYS  38           HA       CYS  38 -12.757   3.314  -5.438
  269   1HB   CYS  38           HB1      CYS  38 -10.797   3.423  -3.682
  270   2HB   CYS  38           HB2      CYS  38  -9.701   3.308  -5.087
  271    H    ALA  39           HN       ALA  39 -13.038   1.405  -6.981
  272    HA   ALA  39           HA       ALA  39 -11.326   1.533  -9.311
  273   1HB   ALA  39           HB1      ALA  39 -12.715  -0.406 -10.138
  274   2HB   ALA  39           HB2      ALA  39 -12.014  -0.724  -8.509
  275   3HB   ALA  39           HB3      ALA  39 -13.741  -0.247  -8.657
  276    H    GLY  40           HN       GLY  40 -14.115   2.885  -7.970
  277   1HA   GLY  40           HA1      GLY  40 -15.452   3.504 -10.491
  278   2HA   GLY  40           HA2      GLY  40 -16.020   3.746  -8.802
  279    H    ARG  41           HN       ARG  41 -13.183   5.016  -8.200
  280    HA   ARG  41           HA       ARG  41 -13.702   7.615  -9.451
  281   1HB   ARG  41           HB1      ARG  41 -12.799   7.035  -6.587
  282   2HB   ARG  41           HB2      ARG  41 -12.770   8.643  -7.379
  283   1HG   ARG  41           HG1      ARG  41 -15.247   6.925  -6.729
  284   2HG   ARG  41           HG2      ARG  41 -14.703   8.378  -5.850
  285   1HD   ARG  41           HD1      ARG  41 -15.700   8.344  -8.792
  286   2HD   ARG  41           HD2      ARG  41 -16.655   8.859  -7.346
  287    HE   ARG  41           HE       ARG  41 -14.056  10.183  -8.080
  288   1HH1  ARG  41          HH21      ARG  41 -17.502  11.976  -9.098
  289   2HH1  ARG  41          HH22      ARG  41 -17.590  10.396  -8.393
  290   1HH2  ARG  41          HH11      ARG  41 -15.464  13.088  -9.276
  291   2HH2  ARG  41          HH12      ARG  41 -14.003  12.351  -8.705
  292    H    ASN  42           HN       ASN  42 -11.182   6.358  -7.366
  293    HA   ASN  42           HA       ASN  42  -9.040   6.144  -7.478
  294   1HB   ASN  42           HB1      ASN  42  -9.393   4.530  -9.371
  295   2HB   ASN  42           HB2      ASN  42  -9.293   5.879 -10.533
  296   1HD2  ASN  42          HD21      ASN  42  -5.858   5.094 -10.963
  297   2HD2  ASN  42          HD22      ASN  42  -7.430   5.263 -11.670
  298    H    ASP  43           HN       ASP  43  -9.647   8.469  -6.754
  299    HA   ASP  43           HA       ASP  43  -8.335  10.448  -8.509
  300   1HB   ASP  43           HB1      ASP  43  -9.509  12.123  -6.762
  301   2HB   ASP  43           HB2      ASP  43 -10.279  11.521  -8.264
  302    H    CYS  44           HN       CYS  44  -8.767   9.417  -5.053
  303    HA   CYS  44           HA       CYS  44  -7.374  11.315  -4.019
  304   1HB   CYS  44           HB1      CYS  44  -7.089   9.007  -2.220
  305   2HB   CYS  44           HB2      CYS  44  -8.237  10.335  -2.180
  306    H    ILE  45           HN       ILE  45  -5.354  11.541  -2.960
  307    HA   ILE  45           HA       ILE  45  -3.116  10.027  -4.048
  308    HB   ILE  45           HB       ILE  45  -3.179  12.537  -2.276
  309   1HG1  ILE  45          HG11      ILE  45  -4.106  13.083  -4.460
  310   2HG1  ILE  45          HG12      ILE  45  -2.512  13.843  -4.236
  311   1HG2  ILE  45          HG21      ILE  45  -0.755  12.836  -2.867
  312   2HG2  ILE  45          HG22      ILE  45  -1.038  11.362  -1.888
  313   3HG2  ILE  45          HG23      ILE  45  -0.755  11.217  -3.658
  314   1HD1  ILE  45           HD1      ILE  45  -2.746  12.991  -6.549
  315   2HD1  ILE  45           HD2      ILE  45  -1.459  12.061  -5.706
  316   3HD1  ILE  45           HD3      ILE  45  -3.089  11.330  -5.954
  317    H    ILE  46           HN       ILE  46  -1.650   9.009  -2.522
  318    HA   ILE  46           HA       ILE  46  -2.915   8.262   0.038
  319    HB   ILE  46           HB       ILE  46  -1.524   6.675  -2.159
  320   1HG1  ILE  46          HG11      ILE  46  -3.939   7.077  -2.493
  321   2HG1  ILE  46          HG12      ILE  46  -3.539   5.370  -2.283
  322   1HG2  ILE  46          HG21      ILE  46  -1.423   4.691  -1.022
  323   2HG2  ILE  46          HG22      ILE  46  -0.673   5.820   0.158
  324   3HG2  ILE  46          HG23      ILE  46  -2.340   5.232   0.426
  325   1HD1  ILE  46           HD1      ILE  46  -5.682   6.138  -1.093
  326   2HD1  ILE  46           HD2      ILE  46  -4.492   5.303  -0.024
  327   3HD1  ILE  46           HD3      ILE  46  -4.677   7.102   0.027
  328    H    ASP  47           HN       ASP  47  -1.870   9.308   1.481
  329    HA   ASP  47           HA       ASP  47   0.925   8.907   1.695
  330   1HB   ASP  47           HB1      ASP  47   1.681  11.139   1.994
  331   2HB   ASP  47           HB2      ASP  47   1.093  10.882   0.343
  332    H    LYS  48           HN       LYS  48   1.394  10.407   3.908
  333    HA   LYS  48           HA       LYS  48   0.120   8.938   5.850
  334   1HB   LYS  48           HB1      LYS  48   1.649  10.211   7.420
  335   2HB   LYS  48           HB2      LYS  48   2.323   9.218   6.111
  336   1HG   LYS  48           HG1      LYS  48   3.654  11.211   6.263
  337   2HG   LYS  48           HG2      LYS  48   2.787  11.207   4.709
  338   1HD   LYS  48           HD1      LYS  48   2.796  13.454   5.562
  339   2HD   LYS  48           HD2      LYS  48   1.118  12.854   5.641
  340   1HE   LYS  48           HE1      LYS  48   1.424  12.425   8.150
  341   2HE   LYS  48           HE2      LYS  48   3.118  13.028   8.019
  342   1HZ   LYS  48           HZ1      LYS  48   1.626  14.691   8.797
  343   2HZ   LYS  48           HZ2      LYS  48   2.260  15.122   7.280
  344   3HZ   LYS  48           HZ3      LYS  48   0.662  14.557   7.402
  345    H    ILE  49           HN       ILE  49  -1.629  10.958   4.552
  346    HA   ILE  49           HA       ILE  49  -3.003  11.830   6.982
  347    HB   ILE  49           HB       ILE  49  -2.264  13.553   4.577
  348   1HG1  ILE  49          HG11      ILE  49  -0.716  13.691   6.464
  349   2HG1  ILE  49          HG12      ILE  49  -1.533  15.241   6.157
  350   1HG2  ILE  49          HG21      ILE  49  -3.862  15.350   5.310
  351   2HG2  ILE  49          HG22      ILE  49  -4.670  13.860   4.703
  352   3HG2  ILE  49          HG23      ILE  49  -4.605  14.176   6.474
  353   1HD1  ILE  49           HD1      ILE  49  -1.331  14.827   8.595
  354   2HD1  ILE  49           HD2      ILE  49  -3.067  14.830   8.125
  355   3HD1  ILE  49           HD3      ILE  49  -2.220  13.272   8.450
  356    H    ARG  50           HN       ARG  50  -3.088  11.417   3.502
  357    HA   ARG  50           HA       ARG  50  -5.935  11.184   3.410
  358   1HB   ARG  50           HB1      ARG  50  -3.766  10.965   1.271
  359   2HB   ARG  50           HB2      ARG  50  -5.515  10.702   0.924
  360   1HG   ARG  50           HG1      ARG  50  -5.333  12.885   0.328
  361   2HG   ARG  50           HG2      ARG  50  -5.935  13.034   2.003
  362   1HD   ARG  50           HD1      ARG  50  -3.436  13.420   2.709
  363   2HD   ARG  50           HD2      ARG  50  -3.054  13.503   0.952
  364    HE   ARG  50           HE       ARG  50  -4.848  15.347   2.503
  365   1HH1  ARG  50          HH21      ARG  50  -4.419  15.914  -1.461
  366   2HH1  ARG  50          HH22      ARG  50  -3.590  14.575  -0.738
  367   1HH2  ARG  50          HH11      ARG  50  -5.638  17.409  -0.135
  368   2HH2  ARG  50          HH12      ARG  50  -5.720  17.192   1.582
  369    H    ARG  51           HN       ARG  51  -3.736   8.968   4.365
  370    HA   ARG  51           HA       ARG  51  -4.622   6.676   3.021
  371   1HB   ARG  51           HB1      ARG  51  -3.374   5.312   4.409
  372   2HB   ARG  51           HB2      ARG  51  -2.411   6.751   4.030
  373   1HG   ARG  51           HG1      ARG  51  -3.762   6.025   6.714
  374   2HG   ARG  51           HG2      ARG  51  -2.033   5.945   6.285
  375   1HD   ARG  51           HD1      ARG  51  -2.305   8.579   5.841
  376   2HD   ARG  51           HD2      ARG  51  -3.747   8.427   6.905
  377    HE   ARG  51           HE       ARG  51  -0.888   7.768   7.583
  378   1HH1  ARG  51          HH21      ARG  51  -3.697   7.047  10.367
  379   2HH1  ARG  51          HH22      ARG  51  -4.217   7.678   8.840
  380   1HH2  ARG  51          HH11      ARG  51  -1.422   6.766  10.820
  381   2HH2  ARG  51          HH12      ARG  51  -0.232   7.186   9.633
  382    H    LYS  52           HN       LYS  52  -6.103   8.392   5.655
  383    HA   LYS  52           HA       LYS  52  -7.600   6.179   6.642
  384   1HB   LYS  52           HB1      LYS  52  -7.817   9.179   7.255
  385   2HB   LYS  52           HB2      LYS  52  -8.662   7.870   8.149
  386   1HG   LYS  52           HG1      LYS  52  -6.435   6.912   8.824
  387   2HG   LYS  52           HG2      LYS  52  -5.614   8.275   8.003
  388   1HD   LYS  52           HD1      LYS  52  -7.618   8.548  10.336
  389   2HD   LYS  52           HD2      LYS  52  -5.844   8.546  10.518
  390   1HE   LYS  52           HE1      LYS  52  -7.454  10.670   8.925
  391   2HE   LYS  52           HE2      LYS  52  -6.797  10.867  10.590
  392   1HZ   LYS  52           HZ1      LYS  52  -5.199  10.357   8.154
  393   2HZ   LYS  52           HZ2      LYS  52  -5.412  11.849   8.938
  394   3HZ   LYS  52           HZ3      LYS  52  -4.606  10.580   9.730
  395    H    ASN  53           HN       ASN  53  -7.826   8.262   3.989
  396    HA   ASN  53           HA       ASN  53 -10.700   8.449   3.945
  397   1HB   ASN  53           HB1      ASN  53  -8.625   9.513   1.909
  398   2HB   ASN  53           HB2      ASN  53 -10.378   9.844   1.887
  399   1HD2  ASN  53          HD21      ASN  53  -8.413  12.689   3.528
  400   2HD2  ASN  53          HD22      ASN  53  -8.213  11.807   2.049
  401    H    CYS  54           HN       CYS  54  -7.975   6.664   2.528
  402    HA   CYS  54           HA       CYS  54  -9.767   4.824   1.242
  403   1HB   CYS  54           HB1      CYS  54  -9.758   6.660  -0.407
  404   2HB   CYS  54           HB2      CYS  54  -7.985   6.775  -0.348
  405    HA   PRO  55           HA       PRO  55  -5.678   2.869   1.215
  406   1HB   PRO  55           HB1      PRO  55  -6.187   0.612   2.614
  407   2HB   PRO  55           HB2      PRO  55  -6.302   2.153   3.420
  408   1HG   PRO  55           HG1      PRO  55  -8.571   0.461   2.394
  409   2HG   PRO  55           HG2      PRO  55  -8.477   1.384   3.883
  410   1HD   PRO  55           HD1      PRO  55  -9.585   2.239   1.351
  411   2HD   PRO  55           HD2      PRO  55  -9.371   3.237   2.796
  412    H    ALA  56           HN       ALA  56  -7.610   2.896  -1.104
  413    HA   ALA  56           HA       ALA  56  -7.525   0.172  -2.098
  414   1HB   ALA  56           HB1      ALA  56  -9.221   0.886  -3.745
  415   2HB   ALA  56           HB2      ALA  56  -9.797   1.453  -2.130
  416   3HB   ALA  56           HB3      ALA  56  -9.006   2.594  -3.230
  417    H    CYS  57           HN       CYS  57  -6.942   3.614  -2.942
  418    HA   CYS  57           HA       CYS  57  -5.589   3.307  -5.282
  419   1HB   CYS  57           HB1      CYS  57  -5.587   5.418  -3.105
  420   2HB   CYS  57           HB2      CYS  57  -4.635   5.619  -4.580
  421    H    ARG  58           HN       ARG  58  -4.509   3.126  -2.011
  422    HA   ARG  58           HA       ARG  58  -1.806   3.148  -2.372
  423   1HB   ARG  58           HB1      ARG  58  -1.595   2.903  -0.150
  424   2HB   ARG  58           HB2      ARG  58  -3.275   3.481  -0.270
  425   1HG   ARG  58           HG1      ARG  58  -4.010   1.768   0.930
  426   2HG   ARG  58           HG2      ARG  58  -3.373   0.584  -0.212
  427   1HD   ARG  58           HD1      ARG  58  -1.930  -0.058   1.468
  428   2HD   ARG  58           HD2      ARG  58  -1.000   1.422   1.113
  429    HE   ARG  58           HE       ARG  58  -1.601   1.064   3.469
  430   1HH1  ARG  58          HH21      ARG  58  -3.306   4.602   2.818
  431   2HH1  ARG  58          HH22      ARG  58  -3.325   3.463   1.512
  432   1HH2  ARG  58          HH11      ARG  58  -2.449   3.985   4.912
  433   2HH2  ARG  58          HH12      ARG  58  -1.830   2.388   5.167
  434    H    TYR  59           HN       TYR  59  -4.054   0.580  -3.007
  435    HA   TYR  59           HA       TYR  59  -2.139  -1.550  -2.920
  436   1HB   TYR  59           HB1      TYR  59  -4.613  -1.971  -2.659
  437   2HB   TYR  59           HB2      TYR  59  -4.873  -1.412  -4.335
  438    HD1  TYR  59           HD1      TYR  59  -2.492  -3.869  -2.625
  439    HD2  TYR  59           HD2      TYR  59  -5.182  -3.098  -5.898
  440    HE1  TYR  59           HE1      TYR  59  -2.028  -6.115  -3.548
  441    HE2  TYR  59           HE2      TYR  59  -4.728  -5.348  -6.797
  442    HH   TYR  59           HH       TYR  59  -2.464  -7.605  -5.148
  443    H    ARG  60           HN       ARG  60  -3.563   0.659  -5.340
  444    HA   ARG  60           HA       ARG  60  -2.090  -0.322  -7.518
  445   1HB   ARG  60           HB1      ARG  60  -3.370   2.447  -7.271
  446   2HB   ARG  60           HB2      ARG  60  -2.667   1.746  -8.753
  447   1HG   ARG  60           HG1      ARG  60  -4.935   1.413  -9.060
  448   2HG   ARG  60           HG2      ARG  60  -4.358  -0.195  -8.532
  449   1HD   ARG  60           HD1      ARG  60  -5.218   0.317  -6.185
  450   2HD   ARG  60           HD2      ARG  60  -5.830   1.908  -6.777
  451    HE   ARG  60           HE       ARG  60  -6.805  -0.822  -7.557
  452   1HH1  ARG  60          HH21      ARG  60  -8.432   2.399  -9.337
  453   2HH1  ARG  60          HH22      ARG  60  -7.055   2.637  -8.313
  454   1HH2  ARG  60          HH11      ARG  60  -9.414   0.286  -9.531
  455   2HH2  ARG  60          HH12      ARG  60  -8.774  -1.063  -8.654
  456    H    LYS  61           HN       LYS  61  -1.378   2.164  -5.108
  457    HA   LYS  61           HA       LYS  61   0.749   3.306  -6.373
  458   1HB   LYS  61           HB1      LYS  61  -0.787   4.304  -4.627
  459   2HB   LYS  61           HB2      LYS  61  -0.017   3.252  -3.418
  460   1HG   LYS  61           HG1      LYS  61   0.835   5.408  -3.134
  461   2HG   LYS  61           HG2      LYS  61   2.182   4.454  -3.825
  462   1HD   LYS  61           HD1      LYS  61   0.364   6.268  -5.544
  463   2HD   LYS  61           HD2      LYS  61   1.748   6.919  -4.618
  464   1HE   LYS  61           HE1      LYS  61   3.336   5.414  -5.887
  465   2HE   LYS  61           HE2      LYS  61   1.962   4.827  -6.895
  466   1HZ   LYS  61           HZ1      LYS  61   1.566   7.065  -7.586
  467   2HZ   LYS  61           HZ2      LYS  61   2.872   7.622  -6.655
  468   3HZ   LYS  61           HZ3      LYS  61   3.144   6.558  -7.950
  469    H    CYS  62           HN       CYS  62   0.636   0.840  -3.862
  470    HA   CYS  62           HA       CYS  62   3.357   0.596  -3.507
  471   1HB   CYS  62           HB1      CYS  62   2.969  -1.258  -2.088
  472   2HB   CYS  62           HB2      CYS  62   1.667  -0.104  -1.855
  473    HG1  CYS  62           HG1      CYS  62   1.539  -2.851  -3.693
  474    H    LEU  63           HN       LEU  63   1.207  -1.062  -5.778
  475    HA   LEU  63           HA       LEU  63   3.091  -2.815  -6.835
  476   1HB   LEU  63           HB1      LEU  63   0.483  -1.644  -7.927
  477   2HB   LEU  63           HB2      LEU  63   1.450  -2.784  -8.909
  478    HG   LEU  63           HG       LEU  63   0.427  -3.476  -6.098
  479   1HD1  LEU  63          HD11      LEU  63  -1.410  -4.732  -7.183
  480   2HD1  LEU  63          HD12      LEU  63  -1.516  -2.979  -7.580
  481   3HD1  LEU  63          HD13      LEU  63  -0.890  -4.143  -8.805
  482   1HD2  LEU  63          HD21      LEU  63   0.812  -5.851  -6.896
  483   2HD2  LEU  63          HD22      LEU  63   1.544  -5.205  -8.404
  484   3HD2  LEU  63          HD23      LEU  63   2.329  -4.887  -6.813
  485    H    GLN  64           HN       GLN  64   2.268   0.570  -7.623
  486    HA   GLN  64           HA       GLN  64   3.741   0.821  -9.917
  487   1HB   GLN  64           HB1      GLN  64   1.896   2.311  -8.821
  488   2HB   GLN  64           HB2      GLN  64   3.205   3.108  -7.935
  489   1HG   GLN  64           HG1      GLN  64   3.046   2.867 -11.023
  490   2HG   GLN  64           HG2      GLN  64   2.319   4.215 -10.098
  491   1HE2  GLN  64          HE21      GLN  64   3.982   5.313  -8.455
  492   2HE2  GLN  64          HE22      GLN  64   5.532   5.695  -9.127
  493    H    ALA  65           HN       ALA  65   4.569   1.000  -6.551
  494    HA   ALA  65           HA       ALA  65   7.044   2.203  -6.681
  495   1HB   ALA  65           HB1      ALA  65   7.250   1.793  -4.376
  496   2HB   ALA  65           HB2      ALA  65   5.476   1.843  -4.619
  497   3HB   ALA  65           HB3      ALA  65   6.303   0.254  -4.450
  498    H    GLY  66           HN       GLY  66   6.032  -1.122  -6.979
  499   1HA   GLY  66           HA1      GLY  66   7.330  -2.407  -8.525
  500   2HA   GLY  66           HA2      GLY  66   8.804  -1.978  -7.582
  501    H    MET  67           HN       MET  67   5.836  -2.549  -5.812
  502    HA   MET  67           HA       MET  67   6.990  -4.568  -4.310
  503   1HB   MET  67           HB1      MET  67   4.090  -3.671  -4.499
  504   2HB   MET  67           HB2      MET  67   4.615  -4.940  -3.361
  505   1HG   MET  67           HG1      MET  67   5.914  -2.149  -3.361
  506   2HG   MET  67           HG2      MET  67   4.408  -2.512  -2.499
  507   1HE   MET  67           HE1      MET  67   4.020  -3.704  -0.447
  508   2HE   MET  67           HE2      MET  67   5.220  -4.571   0.561
  509   3HE   MET  67           HE3      MET  67   4.608  -5.336  -0.952
  510    H    ASN  68           HN       ASN  68   6.451  -6.862  -4.107
  511    HA   ASN  68           HA       ASN  68   4.713  -8.172  -5.861
  512   1HB   ASN  68           HB1      ASN  68   6.963  -7.585  -7.338
  513   2HB   ASN  68           HB2      ASN  68   7.660  -8.943  -6.448
  514   1HD2  ASN  68          HD21      ASN  68   4.501  -9.593  -9.098
  515   2HD2  ASN  68          HD22      ASN  68   4.675  -8.087  -8.230
  516    H    LEU  69           HN       LEU  69   4.213  -9.953  -4.685
  517    HA   LEU  69           HA       LEU  69   5.727 -10.347  -2.257
  518   1HB   LEU  69           HB1      LEU  69   3.635  -9.829  -1.664
  519   2HB   LEU  69           HB2      LEU  69   2.925 -10.535  -3.154
  520    HG   LEU  69           HG       LEU  69   3.293 -12.880  -2.042
  521   1HD1  LEU  69          HD11      LEU  69   3.287 -12.864   0.454
  522   2HD1  LEU  69          HD12      LEU  69   4.798 -12.139  -0.192
  523   3HD1  LEU  69          HD13      LEU  69   3.494 -11.068   0.453
  524   1HD2  LEU  69          HD21      LEU  69   1.125 -12.562  -0.710
  525   2HD2  LEU  69          HD22      LEU  69   1.213 -10.822  -1.205
  526   3HD2  LEU  69          HD23      LEU  69   1.115 -12.102  -2.449
  527    H    GLU  70           HN       GLU  70   6.571 -11.177  -4.862
  528    HA   GLU  70           HA       GLU  70   7.779 -13.631  -4.198
  529   1HB   GLU  70           HB1      GLU  70   6.353 -13.334  -6.929
  530   2HB   GLU  70           HB2      GLU  70   7.408 -14.679  -6.419
  531   1HG   GLU  70           HG1      GLU  70   5.520 -15.814  -5.990
  532   2HG   GLU  70           HG2      GLU  70   5.452 -14.903  -4.463
  533    H    ALA  71           HN       ALA  71   8.591 -11.120  -3.996
  534    HA   ALA  71           HA       ALA  71   9.918 -10.186  -6.404
  535   1HB   ALA  71           HB1      ALA  71  10.657  -8.248  -4.875
  536   2HB   ALA  71           HB2      ALA  71   8.906  -8.440  -5.050
  537   3HB   ALA  71           HB3      ALA  71   9.715  -9.038  -3.557
  538    H    ARG  72           HN       ARG  72  12.253  -9.285  -5.908
  539    HA   ARG  72           HA       ARG  72  13.894 -11.446  -4.815
  540   1HB   ARG  72           HB1      ARG  72  14.213 -10.786  -7.223
  541   2HB   ARG  72           HB2      ARG  72  14.585  -9.123  -6.708
  542   1HG   ARG  72           HG1      ARG  72  16.641 -10.305  -7.243
  543   2HG   ARG  72           HG2      ARG  72  16.631  -9.956  -5.491
  544   1HD   ARG  72           HD1      ARG  72  15.977 -12.327  -4.986
  545   2HD   ARG  72           HD2      ARG  72  15.892 -12.706  -6.748
  546    HE   ARG  72           HE       ARG  72  18.352 -11.997  -5.165
  547   1HH1  ARG  72          HH21      ARG  72  18.696 -12.641  -9.127
  548   2HH1  ARG  72          HH22      ARG  72  17.113 -12.705  -8.425
  549   1HH2  ARG  72          HH11      ARG  72  20.405 -12.160  -6.054
  550   2HH2  ARG  72          HH12      ARG  72  20.580 -12.329  -7.770
   
  No H/Q in entry =         550
  Start of MODEL   19
    1   1H    LEU   1           HT1      LEU   1  12.169   6.578   4.448
    2   2H    LEU   1           HT2      LEU   1  11.977   4.911   4.187
    3   3H    LEU   1           HT3      LEU   1  12.081   5.973   2.864
    4    HA   LEU   1           HA       LEU   1   9.998   5.913   4.887
    5   1HB   LEU   1           HB1      LEU   1   8.809   7.625   3.736
    6   2HB   LEU   1           HB2      LEU   1  10.470   8.201   3.957
    7    HG   LEU   1           HG       LEU   1   9.236   7.107   1.345
    8   1HD1  LEU   1          HD11      LEU   1   9.295   9.444   0.547
    9   2HD1  LEU   1          HD12      LEU   1   8.277   9.279   2.022
   10   3HD1  LEU   1          HD13      LEU   1   9.927   9.997   2.143
   11   1HD2  LEU   1          HD21      LEU   1  11.638   6.619   1.273
   12   2HD2  LEU   1          HD22      LEU   1  11.288   8.009   0.199
   13   3HD2  LEU   1          HD23      LEU   1  12.045   8.293   1.810
   14    H    CYS   2           HN       CYS   2   7.915   5.157   4.239
   15    HA   CYS   2           HA       CYS   2   7.687   2.850   2.757
   16   1HB   CYS   2           HB1      CYS   2   6.291   3.380   4.773
   17   2HB   CYS   2           HB2      CYS   2   5.572   4.786   3.870
   18    H    LEU   3           HN       LEU   3   6.986   2.616   0.557
   19    HA   LEU   3           HA       LEU   3   6.979   5.175  -0.795
   20   1HB   LEU   3           HB1      LEU   3   7.673   2.371  -1.647
   21   2HB   LEU   3           HB2      LEU   3   7.648   3.719  -2.842
   22    HG   LEU   3           HG       LEU   3   9.375   3.700  -0.311
   23   1HD1  LEU   3          HD11      LEU   3  11.354   3.273  -1.822
   24   2HD1  LEU   3          HD12      LEU   3  10.207   1.900  -1.760
   25   3HD1  LEU   3          HD13      LEU   3  10.223   2.992  -3.195
   26   1HD2  LEU   3          HD21      LEU   3  10.638   5.576  -1.382
   27   2HD2  LEU   3          HD22      LEU   3   9.463   5.583  -2.749
   28   3HD2  LEU   3          HD23      LEU   3   8.922   5.999  -1.079
   29    H    VAL   4           HN       VAL   4   4.822   3.662   0.476
   30    HA   VAL   4           HA       VAL   4   2.889   3.479  -1.736
   31    HB   VAL   4           HB       VAL   4   2.677   2.011   0.919
   32   1HG1  VAL   4          HG21      VAL   4   1.087   1.748  -1.662
   33   2HG1  VAL   4          HG22      VAL   4   0.940   0.667  -0.207
   34   3HG1  VAL   4          HG23      VAL   4   0.544   2.425  -0.085
   35   1HG2  VAL   4          HG11      VAL   4   3.859   0.964  -1.677
   36   2HG2  VAL   4          HG12      VAL   4   4.667   1.206  -0.096
   37   3HG2  VAL   4          HG13      VAL   4   3.380  -0.049  -0.248
   38    H    CYS   5           HN       CYS   5   3.050   3.985   1.787
   39    HA   CYS   5           HA       CYS   5   0.903   6.005   1.469
   40   1HB   CYS   5           HB1      CYS   5   0.049   5.695   3.626
   41   2HB   CYS   5           HB2      CYS   5   0.102   4.127   2.816
   42    H    SER   6           HN       SER   6   3.893   6.060   1.205
   43    HA   SER   6           HA       SER   6   5.630   7.383   1.827
   44   1HB   SER   6           HB1      SER   6   3.655   9.579   1.486
   45   2HB   SER   6           HB2      SER   6   5.373   9.527   0.915
   46    HG   SER   6           HG1      SER   6   4.608   7.861  -0.498
   47    H    ASP   7           HN       ASP   7   5.396   6.446   4.092
   48    HA   ASP   7           HA       ASP   7   5.318   8.629   6.107
   49   1HB   ASP   7           HB1      ASP   7   3.287   6.942   5.960
   50   2HB   ASP   7           HB2      ASP   7   4.422   5.669   6.303
   51    H    GLU   8           HN       GLU   8   6.767   7.762   8.096
   52    HA   GLU   8           HA       GLU   8   9.261   7.028   7.137
   53   1HB   GLU   8           HB1      GLU   8   9.374   6.451   9.915
   54   2HB   GLU   8           HB2      GLU   8   9.856   7.929   9.057
   55   1HG   GLU   8           HG1      GLU   8   7.578   8.937   9.387
   56   2HG   GLU   8           HG2      GLU   8   7.030   7.430  10.204
   57    H    ALA   9           HN       ALA   9  10.056   5.061   6.509
   58    HA   ALA   9           HA       ALA   9   8.541   2.697   7.226
   59   1HB   ALA   9           HB1      ALA   9  10.173   1.647   5.360
   60   2HB   ALA   9           HB2      ALA   9   8.809   2.649   4.834
   61   3HB   ALA   9           HB3      ALA   9  10.486   3.344   4.966
   62    H    SER  10           HN       SER  10   9.527   0.693   7.658
   63    HA   SER  10           HA       SER  10  12.211   0.496   8.302
   64   1HB   SER  10           HB1      SER  10  11.917  -0.059  10.822
   65   2HB   SER  10           HB2      SER  10  11.798   1.672  10.400
   66    HG   SER  10           HG1      SER  10  10.154   1.059  11.764
   67    H    GLY  11           HN       GLY  11  11.086  -0.911   6.445
   68   1HA   GLY  11           HA1      GLY  11  11.388  -3.500   7.111
   69   2HA   GLY  11           HA2      GLY  11   9.627  -3.167   7.371
   70    H    CYS  12           HN       CYS  12  12.272  -3.300   4.994
   71    HA   CYS  12           HA       CYS  12  10.485  -2.836   2.754
   72   1HB   CYS  12           HB1      CYS  12  12.600  -3.174   1.371
   73   2HB   CYS  12           HB2      CYS  12  12.610  -1.781   2.463
   74    HG1  CYS  12           HG1      CYS  12  13.934  -4.729   3.158
   75    H    HIS  13           HN       HIS  13   9.608  -4.487   1.457
   76    HA   HIS  13           HA       HIS  13  10.805  -6.968   1.175
   77   1HB   HIS  13           HB1      HIS  13   9.911  -7.282   3.597
   78   2HB   HIS  13           HB2      HIS  13   8.271  -7.111   2.940
   79    HD2  HIS  13           HD2      HIS  13   7.706  -9.727   3.784
   80    HE1  HIS  13           HE1      HIS  13  10.662 -11.654   1.455
   81    HE2  HIS  13           HE2      HIS  13   8.664 -11.979   3.014
   82    H    TYR  14           HN       TYR  14   9.639  -8.220  -0.362
   83    HA   TYR  14           HA       TYR  14   8.364  -8.700  -2.002
   84   1HB   TYR  14           HB1      TYR  14   6.383  -6.457  -1.490
   85   2HB   TYR  14           HB2      TYR  14   6.064  -7.856  -2.441
   86    HD1  TYR  14           HD1      TYR  14   7.104 -10.245  -0.842
   87    HD2  TYR  14           HD2      TYR  14   5.148  -6.683   0.311
   88    HE1  TYR  14           HE1      TYR  14   6.430 -11.349   1.231
   89    HE2  TYR  14           HE2      TYR  14   4.448  -7.746   2.458
   90    HH   TYR  14           HH       TYR  14   5.367 -11.136   3.214
   91    H    GLY  15           HN       GLY  15  10.310  -6.758  -1.703
   92   1HA   GLY  15           HA1      GLY  15  11.894  -6.238  -3.303
   93   2HA   GLY  15           HA2      GLY  15  10.597  -5.939  -4.508
   94    H    VAL  16           HN       VAL  16   9.437  -4.234  -1.944
   95    HA   VAL  16           HA       VAL  16  11.008  -1.824  -2.641
   96    HB   VAL  16           HB       VAL  16   8.012  -1.934  -2.248
   97   1HG1  VAL  16          HG21      VAL  16   9.688   0.290  -3.499
   98   2HG1  VAL  16          HG22      VAL  16   7.888   0.172  -3.466
   99   3HG1  VAL  16          HG23      VAL  16   8.772   0.320  -1.928
  100   1HG2  VAL  16          HG11      VAL  16   9.475  -1.961  -4.976
  101   2HG2  VAL  16          HG12      VAL  16   8.433  -3.270  -4.306
  102   3HG2  VAL  16          HG13      VAL  16   7.713  -1.666  -4.747
  103    H    LEU  17           HN       LEU  17  11.024  -0.272  -1.176
  104    HA   LEU  17           HA       LEU  17  10.960  -0.941   1.562
  105   1HB   LEU  17           HB1      LEU  17  12.660   0.622   0.652
  106   2HB   LEU  17           HB2      LEU  17  11.380   1.797   0.259
  107    HG   LEU  17           HG       LEU  17  10.860   2.081   2.678
  108   1HD1  LEU  17          HD11      LEU  17  12.345   1.185   4.462
  109   2HD1  LEU  17          HD12      LEU  17  11.471  -0.131   3.609
  110   3HD1  LEU  17          HD13      LEU  17  13.216   0.180   3.251
  111   1HD2  LEU  17          HD21      LEU  17  12.902   3.332   3.314
  112   2HD2  LEU  17          HD22      LEU  17  13.858   2.463   2.059
  113   3HD2  LEU  17          HD23      LEU  17  12.530   3.574   1.567
  114    H    THR  18           HN       THR  18   9.272  -0.979   2.875
  115    HA   THR  18           HA       THR  18   7.063   0.900   2.481
  116    HB   THR  18           HB       THR  18   5.721  -1.368   3.479
  117    HG1  THR  18           HG1      THR  18   7.708  -2.447   1.796
  118   1HG2  THR  18          HG21      THR  18   4.911  -1.959   1.273
  119   2HG2  THR  18          HG22      THR  18   4.984  -0.173   1.488
  120   3HG2  THR  18          HG23      THR  18   6.242  -1.005   0.486
  121    H    CYS  19           HN       CYS  19   5.639   0.657   4.495
  122    HA   CYS  19           HA       CYS  19   7.386   1.368   6.572
  123   1HB   CYS  19           HB1      CYS  19   5.418   1.867   7.975
  124   2HB   CYS  19           HB2      CYS  19   5.592   2.786   6.526
  125    H    GLY  20           HN       GLY  20   4.677  -0.476   7.580
  126   1HA   GLY  20           HA1      GLY  20   6.253  -2.845   8.259
  127   2HA   GLY  20           HA2      GLY  20   5.486  -1.868   9.599
  128    H    SER  21           HN       SER  21   3.306  -0.892   8.471
  129    HA   SER  21           HA       SER  21   1.564  -3.117   8.427
  130   1HB   SER  21           HB1      SER  21  -0.318  -1.534   8.283
  131   2HB   SER  21           HB2      SER  21   0.853  -1.118   9.572
  132    HG   SER  21           HG1      SER  21   0.235   0.679   8.435
  133    H    CYS  22           HN       CYS  22   2.890  -1.145   5.747
  134    HA   CYS  22           HA       CYS  22   1.003  -1.942   3.873
  135   1HB   CYS  22           HB1      CYS  22   3.675  -0.630   3.481
  136   2HB   CYS  22           HB2      CYS  22   2.659  -1.139   2.095
  137    H    LYS  23           HN       LYS  23   3.754  -3.535   5.074
  138    HA   LYS  23           HA       LYS  23   4.213  -5.331   3.028
  139   1HB   LYS  23           HB1      LYS  23   5.804  -4.858   4.877
  140   2HB   LYS  23           HB2      LYS  23   4.682  -5.597   6.048
  141   1HG   LYS  23           HG1      LYS  23   4.962  -7.810   4.680
  142   2HG   LYS  23           HG2      LYS  23   6.321  -7.013   3.845
  143   1HD   LYS  23           HD1      LYS  23   6.055  -7.433   6.909
  144   2HD   LYS  23           HD2      LYS  23   6.915  -8.527   5.796
  145   1HE   LYS  23           HE1      LYS  23   8.583  -7.178   6.924
  146   2HE   LYS  23           HE2      LYS  23   8.533  -6.633   5.210
  147   1HZ   LYS  23           HZ1      LYS  23   7.212  -5.304   7.503
  148   2HZ   LYS  23           HZ2      LYS  23   8.666  -4.840   6.754
  149   3HZ   LYS  23           HZ3      LYS  23   7.208  -4.780   5.887
  150    H    VAL  24           HN       VAL  24   2.508  -5.681   6.064
  151    HA   VAL  24           HA       VAL  24   1.310  -8.124   5.621
  152    HB   VAL  24           HB       VAL  24   0.369  -5.880   7.524
  153   1HG1  VAL  24          HG21      VAL  24   0.132  -8.932   7.912
  154   2HG1  VAL  24          HG22      VAL  24  -0.356  -7.650   9.091
  155   3HG1  VAL  24          HG23      VAL  24  -1.215  -7.799   7.521
  156   1HG2  VAL  24          HG11      VAL  24   2.636  -7.886   8.065
  157   2HG2  VAL  24          HG12      VAL  24   2.781  -6.098   7.857
  158   3HG2  VAL  24          HG13      VAL  24   1.906  -6.756   9.268
  159    H    PHE  25           HN       PHE  25   0.142  -4.936   5.059
  160    HA   PHE  25           HA       PHE  25  -2.525  -5.316   4.557
  161   1HB   PHE  25           HB1      PHE  25  -1.422  -3.097   4.867
  162   2HB   PHE  25           HB2      PHE  25  -0.348  -3.404   3.497
  163    HD1  PHE  25           HD1      PHE  25  -4.147  -3.196   4.073
  164    HD2  PHE  25           HD2      PHE  25  -0.720  -2.280   1.628
  165    HE1  PHE  25           HE1      PHE  25  -5.611  -2.097   2.399
  166    HE2  PHE  25           HE2      PHE  25  -2.153  -1.231  -0.021
  167    HZ   PHE  25           HZ       PHE  25  -4.621  -1.157   0.318
  168    H    PHE  26           HN       PHE  26   0.175  -5.036   2.352
  169    HA   PHE  26           HA       PHE  26  -1.115  -5.664   0.002
  170   1HB   PHE  26           HB1      PHE  26   1.041  -4.393   0.118
  171   2HB   PHE  26           HB2      PHE  26   1.883  -5.851   0.726
  172    HD1  PHE  26           HD1      PHE  26  -0.431  -5.067  -2.227
  173    HD2  PHE  26           HD2      PHE  26   3.201  -6.873  -0.813
  174    HE1  PHE  26           HE1      PHE  26   0.107  -5.792  -4.524
  175    HE2  PHE  26           HE2      PHE  26   3.763  -7.543  -3.094
  176    HZ   PHE  26           HZ       PHE  26   2.196  -7.096  -4.957
  177    H    LYS  27           HN       LYS  27   0.701  -7.686   2.169
  178    HA   LYS  27           HA       LYS  27   0.702 -10.007   0.636
  179   1HB   LYS  27           HB1      LYS  27   2.443  -9.637   2.154
  180   2HB   LYS  27           HB2      LYS  27   1.339  -9.514   3.551
  181   1HG   LYS  27           HG1      LYS  27   1.332 -12.150   2.016
  182   2HG   LYS  27           HG2      LYS  27   2.845 -11.736   2.849
  183   1HD   LYS  27           HD1      LYS  27   0.105 -11.790   4.261
  184   2HD   LYS  27           HD2      LYS  27   1.246 -13.169   4.196
  185   1HE   LYS  27           HE1      LYS  27   3.006 -11.802   5.376
  186   2HE   LYS  27           HE2      LYS  27   1.870 -10.406   5.472
  187   1HZ   LYS  27           HZ1      LYS  27   1.431 -13.081   6.649
  188   2HZ   LYS  27           HZ2      LYS  27   1.941 -11.684   7.468
  189   3HZ   LYS  27           HZ3      LYS  27   0.396 -11.739   6.766
  190    H    ARG  28           HN       ARG  28  -1.748  -8.713   2.780
  191    HA   ARG  28           HA       ARG  28  -3.256 -11.199   2.702
  192   1HB   ARG  28           HB1      ARG  28  -3.729 -10.750   4.790
  193   2HB   ARG  28           HB2      ARG  28  -2.851  -9.215   4.700
  194   1HG   ARG  28           HG1      ARG  28  -5.840  -9.532   4.131
  195   2HG   ARG  28           HG2      ARG  28  -5.091  -9.040   5.667
  196   1HD   ARG  28           HD1      ARG  28  -3.939  -7.084   4.300
  197   2HD   ARG  28           HD2      ARG  28  -5.171  -7.449   3.029
  198    HE   ARG  28           HE       ARG  28  -6.929  -6.928   4.580
  199   1HH1  ARG  28          HH21      ARG  28  -4.553  -5.923   7.685
  200   2HH1  ARG  28          HH22      ARG  28  -3.798  -6.425   6.208
  201   1HH2  ARG  28          HH11      ARG  28  -6.886  -5.734   7.814
  202   2HH2  ARG  28          HH12      ARG  28  -7.873  -6.095   6.437
  203    H    ALA  29           HN       ALA  29  -3.115  -8.047   1.301
  204    HA   ALA  29           HA       ALA  29  -5.716  -7.886   0.271
  205   1HB   ALA  29           HB1      ALA  29  -4.802  -6.027  -1.188
  206   2HB   ALA  29           HB2      ALA  29  -4.317  -5.856   0.522
  207   3HB   ALA  29           HB3      ALA  29  -3.130  -6.497  -0.658
  208    H    VAL  30           HN       VAL  30  -2.763  -9.345  -0.904
  209    HA   VAL  30           HA       VAL  30  -3.643  -9.715  -3.608
  210    HB   VAL  30           HB       VAL  30  -1.143 -10.461  -2.041
  211   1HG1  VAL  30          HG21      VAL  30  -1.548 -10.723  -5.084
  212   2HG1  VAL  30          HG22      VAL  30  -0.006 -11.006  -4.176
  213   3HG1  VAL  30          HG23      VAL  30  -1.425 -12.089  -3.912
  214   1HG2  VAL  30          HG11      VAL  30  -1.142  -8.397  -4.296
  215   2HG2  VAL  30          HG12      VAL  30  -1.612  -7.925  -2.634
  216   3HG2  VAL  30          HG13      VAL  30   0.005  -8.637  -2.919
  217    H    GLU  31           HN       GLU  31  -2.456 -11.795  -1.012
  218    HA   GLU  31           HA       GLU  31  -3.837 -14.115  -2.178
  219   1HB   GLU  31           HB1      GLU  31  -1.625 -14.004  -0.074
  220   2HB   GLU  31           HB2      GLU  31  -2.446 -15.500  -0.646
  221   1HG   GLU  31           HG1      GLU  31  -1.682 -14.996  -3.013
  222   2HG   GLU  31           HG2      GLU  31  -0.773 -13.582  -2.402
  223    H    GLY  32           HN       GLY  32  -5.659 -12.634  -1.410
  224   1HA   GLY  32           HA1      GLY  32  -6.958 -14.077   0.648
  225   2HA   GLY  32           HA2      GLY  32  -6.516 -12.403   1.180
  226    H    GLN  33           HN       GLN  33  -6.719 -11.027  -1.214
  227    HA   GLN  33           HA       GLN  33  -7.942  -9.968  -2.549
  228   1HB   GLN  33           HB1      GLN  33  -9.782 -12.376  -2.603
  229   2HB   GLN  33           HB2      GLN  33 -10.040 -10.938  -3.629
  230   1HG   GLN  33           HG1      GLN  33  -7.467 -12.677  -3.690
  231   2HG   GLN  33           HG2      GLN  33  -8.883 -12.927  -4.752
  232   1HE2  GLN  33          HE21      GLN  33  -6.197 -10.663  -3.980
  233   2HE2  GLN  33          HE22      GLN  33  -6.282  -9.753  -5.451
  234    H    HIS  34           HN       HIS  34  -8.602  -8.152  -1.733
  235    HA   HIS  34           HA       HIS  34 -10.834  -8.136   0.185
  236   1HB   HIS  34           HB1      HIS  34  -8.345  -6.420  -0.150
  237   2HB   HIS  34           HB2      HIS  34  -9.775  -5.807   0.754
  238    HD2  HIS  34           HD2      HIS  34  -7.706  -9.249   0.937
  239    HE1  HIS  34           HE1      HIS  34  -8.819  -7.974   4.816
  240    HE2  HIS  34           HE2      HIS  34  -7.635  -9.784   3.457
  241    H    ASN  35           HN       ASN  35 -12.085  -6.065   0.089
  242    HA   ASN  35           HA       ASN  35 -12.439  -5.098  -2.665
  243   1HB   ASN  35           HB1      ASN  35 -14.329  -6.600  -1.766
  244   2HB   ASN  35           HB2      ASN  35 -14.618  -5.400  -0.482
  245   1HD2  ASN  35          HD21      ASN  35 -16.585  -3.296  -2.591
  246   2HD2  ASN  35          HD22      ASN  35 -16.006  -3.671  -1.003
  247    H    TYR  36           HN       TYR  36 -11.615  -3.125  -2.747
  248    HA   TYR  36           HA       TYR  36 -12.015  -1.265  -0.532
  249   1HB   TYR  36           HB1      TYR  36  -9.581  -1.073  -2.313
  250   2HB   TYR  36           HB2      TYR  36  -9.893  -0.251  -0.737
  251    HD1  TYR  36           HD1      TYR  36 -10.186  -2.015   1.286
  252    HD2  TYR  36           HD2      TYR  36  -7.956  -2.745  -2.328
  253    HE1  TYR  36           HE1      TYR  36  -8.686  -3.536   2.509
  254    HE2  TYR  36           HE2      TYR  36  -6.470  -4.258  -1.108
  255    HH   TYR  36           HH       TYR  36  -6.869  -4.860   2.415
  256    H    LEU  37           HN       LEU  37 -12.261   0.956  -1.227
  257    HA   LEU  37           HA       LEU  37 -13.848   1.048  -3.618
  258   1HB   LEU  37           HB1      LEU  37 -14.908   2.966  -2.747
  259   2HB   LEU  37           HB2      LEU  37 -14.895   1.633  -1.571
  260    HG   LEU  37           HG       LEU  37 -13.292   4.256  -1.437
  261   1HD1  LEU  37          HD11      LEU  37 -14.623   4.690   0.579
  262   2HD1  LEU  37          HD12      LEU  37 -15.680   4.409  -0.849
  263   3HD1  LEU  37          HD13      LEU  37 -15.477   3.113   0.388
  264   1HD2  LEU  37          HD21      LEU  37 -12.451   3.540   0.807
  265   2HD2  LEU  37          HD22      LEU  37 -13.046   1.870   0.498
  266   3HD2  LEU  37          HD23      LEU  37 -11.743   2.585  -0.529
  267    H    CYS  38           HN       CYS  38 -12.180   1.121  -5.190
  268    HA   CYS  38           HA       CYS  38 -12.067   3.279  -6.638
  269   1HB   CYS  38           HB1      CYS  38  -9.391   3.216  -5.110
  270   2HB   CYS  38           HB2      CYS  38  -9.477   3.725  -6.795
  271    H    ALA  39           HN       ALA  39 -12.692   1.560  -7.809
  272    HA   ALA  39           HA       ALA  39 -10.670  -0.347  -8.636
  273   1HB   ALA  39           HB1      ALA  39 -12.562  -1.948  -9.115
  274   2HB   ALA  39           HB2      ALA  39 -12.513  -1.496  -7.377
  275   3HB   ALA  39           HB3      ALA  39 -13.721  -0.721  -8.464
  276    H    GLY  40           HN       GLY  40 -12.764   2.228  -9.344
  277   1HA   GLY  40           HA1      GLY  40 -12.016   2.172 -12.144
  278   2HA   GLY  40           HA2      GLY  40 -13.778   2.048 -11.736
  279    H    ARG  41           HN       ARG  41 -11.534   3.912  -9.622
  280    HA   ARG  41           HA       ARG  41 -12.472   6.405 -10.833
  281   1HB   ARG  41           HB1      ARG  41 -12.070   5.878  -7.836
  282   2HB   ARG  41           HB2      ARG  41 -12.512   7.431  -8.626
  283   1HG   ARG  41           HG1      ARG  41 -14.654   6.258  -9.424
  284   2HG   ARG  41           HG2      ARG  41 -14.155   4.843  -8.432
  285   1HD   ARG  41           HD1      ARG  41 -14.085   6.425  -6.382
  286   2HD   ARG  41           HD2      ARG  41 -14.855   7.690  -7.415
  287    HE   ARG  41           HE       ARG  41 -16.015   5.025  -6.630
  288   1HH1  ARG  41          HH21      ARG  41 -18.142   7.381  -9.101
  289   2HH1  ARG  41          HH22      ARG  41 -16.567   7.922  -8.623
  290   1HH2  ARG  41          HH11      ARG  41 -19.046   5.415  -8.198
  291   2HH2  ARG  41          HH12      ARG  41 -18.144   4.489  -7.045
  292    H    ASN  42           HN       ASN  42 -10.396   5.670  -8.184
  293    HA   ASN  42           HA       ASN  42  -8.330   5.793  -7.649
  294   1HB   ASN  42           HB1      ASN  42  -7.799   4.209  -9.513
  295   2HB   ASN  42           HB2      ASN  42  -7.547   5.594 -10.617
  296   1HD2  ASN  42          HD21      ASN  42  -4.120   4.732  -9.739
  297   2HD2  ASN  42          HD22      ASN  42  -5.407   4.346 -10.833
  298    H    ASP  43           HN       ASP  43  -9.251   7.789  -6.967
  299    HA   ASP  43           HA       ASP  43  -8.319  10.186  -8.452
  300   1HB   ASP  43           HB1      ASP  43  -9.843  11.489  -6.813
  301   2HB   ASP  43           HB2      ASP  43 -10.578  10.618  -8.198
  302    H    CYS  44           HN       CYS  44  -8.783   9.080  -4.982
  303    HA   CYS  44           HA       CYS  44  -7.645  11.168  -3.988
  304   1HB   CYS  44           HB1      CYS  44  -7.364   8.924  -2.074
  305   2HB   CYS  44           HB2      CYS  44  -8.523  10.256  -2.117
  306    H    ILE  45           HN       ILE  45  -5.683  11.442  -2.590
  307    HA   ILE  45           HA       ILE  45  -3.323  10.027  -3.636
  308    HB   ILE  45           HB       ILE  45  -3.509  12.618  -2.010
  309   1HG1  ILE  45          HG11      ILE  45  -4.351  13.041  -4.242
  310   2HG1  ILE  45          HG12      ILE  45  -2.763  13.815  -4.020
  311   1HG2  ILE  45          HG21      ILE  45  -1.064  12.915  -2.496
  312   2HG2  ILE  45          HG22      ILE  45  -1.376  11.476  -1.471
  313   3HG2  ILE  45          HG23      ILE  45  -1.007  11.266  -3.219
  314   1HD1  ILE  45           HD1      ILE  45  -2.943  12.824  -6.288
  315   2HD1  ILE  45           HD2      ILE  45  -1.669  11.957  -5.355
  316   3HD1  ILE  45           HD3      ILE  45  -3.290  11.200  -5.596
  317    H    ILE  46           HN       ILE  46  -2.208   8.725  -2.291
  318    HA   ILE  46           HA       ILE  46  -3.178   8.394   0.469
  319    HB   ILE  46           HB       ILE  46  -2.733   6.521  -1.790
  320   1HG1  ILE  46          HG11      ILE  46  -4.347   5.144  -0.764
  321   2HG1  ILE  46          HG12      ILE  46  -4.142   5.884   0.853
  322   1HG2  ILE  46          HG21      ILE  46  -2.105   4.571  -0.393
  323   2HG2  ILE  46          HG22      ILE  46  -0.749   5.712  -0.695
  324   3HG2  ILE  46          HG23      ILE  46  -1.542   5.683   0.923
  325   1HD1  ILE  46           HD1      ILE  46  -6.258   6.445  -0.444
  326   2HD1  ILE  46           HD2      ILE  46  -5.338   7.866   0.195
  327   3HD1  ILE  46           HD3      ILE  46  -5.235   7.403  -1.573
  328    H    ASP  47           HN       ASP  47  -1.863   9.192   1.832
  329    HA   ASP  47           HA       ASP  47   0.944   8.666   1.621
  330   1HB   ASP  47           HB1      ASP  47   1.776  10.817   2.082
  331   2HB   ASP  47           HB2      ASP  47   0.922  10.859   0.528
  332    H    LYS  48           HN       LYS  48   1.606   9.980   3.983
  333    HA   LYS  48           HA       LYS  48   0.680   8.141   5.801
  334   1HB   LYS  48           HB1      LYS  48   2.066   9.400   7.479
  335   2HB   LYS  48           HB2      LYS  48   2.883   8.904   5.973
  336   1HG   LYS  48           HG1      LYS  48   2.860  11.071   5.021
  337   2HG   LYS  48           HG2      LYS  48   1.850  11.747   6.343
  338   1HD   LYS  48           HD1      LYS  48   4.740  10.684   6.561
  339   2HD   LYS  48           HD2      LYS  48   4.249  12.396   6.540
  340   1HE   LYS  48           HE1      LYS  48   3.567  10.359   8.785
  341   2HE   LYS  48           HE2      LYS  48   4.819  11.648   8.847
  342   1HZ   LYS  48           HZ1      LYS  48   3.070  13.269   8.572
  343   2HZ   LYS  48           HZ2      LYS  48   1.901  12.038   8.583
  344   3HZ   LYS  48           HZ3      LYS  48   2.862  12.307   9.956
  345    H    ILE  49           HN       ILE  49  -0.974  10.854   4.899
  346    HA   ILE  49           HA       ILE  49  -2.362  11.170   7.471
  347    HB   ILE  49           HB       ILE  49  -1.932  13.059   5.110
  348   1HG1  ILE  49          HG11      ILE  49   0.039  12.990   6.504
  349   2HG1  ILE  49          HG12      ILE  49  -0.778  14.562   6.656
  350   1HG2  ILE  49          HG21      ILE  49  -3.201  14.819   6.367
  351   2HG2  ILE  49          HG22      ILE  49  -4.207  13.422   5.836
  352   3HG2  ILE  49          HG23      ILE  49  -3.713  13.560   7.566
  353   1HD1  ILE  49           HD1      ILE  49  -0.870  12.278   8.747
  354   2HD1  ILE  49           HD2      ILE  49   0.067  13.807   8.858
  355   3HD1  ILE  49           HD3      ILE  49  -1.732  13.856   8.892
  356    H    ARG  50           HN       ARG  50  -2.797  11.245   3.990
  357    HA   ARG  50           HA       ARG  50  -5.633  11.052   4.122
  358   1HB   ARG  50           HB1      ARG  50  -3.679  11.019   1.773
  359   2HB   ARG  50           HB2      ARG  50  -5.473  11.099   1.593
  360   1HG   ARG  50           HG1      ARG  50  -5.522  13.230   2.889
  361   2HG   ARG  50           HG2      ARG  50  -3.736  13.191   3.043
  362   1HD   ARG  50           HD1      ARG  50  -3.498  13.334   0.538
  363   2HD   ARG  50           HD2      ARG  50  -5.306  13.355   0.374
  364    HE   ARG  50           HE       ARG  50  -3.818  15.393   2.016
  365   1HH1  ARG  50          HH21      ARG  50  -5.104  16.396  -1.661
  366   2HH1  ARG  50          HH22      ARG  50  -5.373  14.771  -1.124
  367   1HH2  ARG  50          HH11      ARG  50  -4.164  17.982  -0.219
  368   2HH2  ARG  50          HH12      ARG  50  -3.730  17.546   1.400
  369    H    ARG  51           HN       ARG  51  -3.454   8.669   4.502
  370    HA   ARG  51           HA       ARG  51  -4.428   6.635   2.847
  371   1HB   ARG  51           HB1      ARG  51  -3.219   4.997   4.321
  372   2HB   ARG  51           HB2      ARG  51  -2.275   6.267   3.535
  373   1HG   ARG  51           HG1      ARG  51  -1.434   5.846   5.732
  374   2HG   ARG  51           HG2      ARG  51  -2.091   7.516   5.685
  375   1HD   ARG  51           HD1      ARG  51  -4.106   6.813   6.960
  376   2HD   ARG  51           HD2      ARG  51  -3.530   5.088   6.957
  377    HE   ARG  51           HE       ARG  51  -1.464   6.024   8.136
  378   1HH1  ARG  51          HH21      ARG  51  -4.607   6.721  10.554
  379   2HH1  ARG  51          HH22      ARG  51  -4.860   6.825   8.844
  380   1HH2  ARG  51          HH11      ARG  51  -2.468   6.331  11.414
  381   2HH2  ARG  51          HH12      ARG  51  -1.114   6.143  10.351
  382    H    LYS  52           HN       LYS  52  -5.934   7.906   5.662
  383    HA   LYS  52           HA       LYS  52  -7.231   5.526   6.476
  384   1HB   LYS  52           HB1      LYS  52  -8.416   7.029   8.095
  385   2HB   LYS  52           HB2      LYS  52  -6.642   7.130   8.193
  386   1HG   LYS  52           HG1      LYS  52  -6.556   9.290   7.146
  387   2HG   LYS  52           HG2      LYS  52  -8.209   9.160   6.500
  388   1HD   LYS  52           HD1      LYS  52  -8.308  10.731   8.273
  389   2HD   LYS  52           HD2      LYS  52  -9.158   9.254   8.816
  390   1HE   LYS  52           HE1      LYS  52  -7.132   8.607  10.206
  391   2HE   LYS  52           HE2      LYS  52  -6.282  10.095   9.633
  392   1HZ   LYS  52           HZ1      LYS  52  -8.795   9.974  11.189
  393   2HZ   LYS  52           HZ2      LYS  52  -7.258  10.432  11.744
  394   3HZ   LYS  52           HZ3      LYS  52  -8.067  11.386  10.597
  395    H    ASN  53           HN       ASN  53  -7.773   7.824   4.045
  396    HA   ASN  53           HA       ASN  53 -10.612   7.888   4.154
  397   1HB   ASN  53           HB1      ASN  53  -8.758   8.935   1.903
  398   2HB   ASN  53           HB2      ASN  53 -10.490   9.298   2.099
  399   1HD2  ASN  53          HD21      ASN  53  -8.084  11.954   3.642
  400   2HD2  ASN  53          HD22      ASN  53  -7.873  10.973   2.229
  401    H    CYS  54           HN       CYS  54  -8.091   6.108   2.358
  402    HA   CYS  54           HA       CYS  54 -10.125   4.432   1.155
  403   1HB   CYS  54           HB1      CYS  54 -10.175   6.298  -0.356
  404   2HB   CYS  54           HB2      CYS  54  -8.409   6.435  -0.386
  405    HA   PRO  55           HA       PRO  55  -6.280   2.020   1.468
  406   1HB   PRO  55           HB1      PRO  55  -8.082  -0.307   1.921
  407   2HB   PRO  55           HB2      PRO  55  -6.792   0.311   2.934
  408   1HG   PRO  55           HG1      PRO  55  -9.396   0.606   3.639
  409   2HG   PRO  55           HG2      PRO  55  -8.238   1.890   3.956
  410   1HD   PRO  55           HD1      PRO  55 -10.088   1.668   1.544
  411   2HD   PRO  55           HD2      PRO  55  -9.921   3.018   2.677
  412    H    ALA  56           HN       ALA  56  -8.170   2.507  -1.144
  413    HA   ALA  56           HA       ALA  56  -7.718   0.004  -2.518
  414   1HB   ALA  56           HB1      ALA  56  -9.211   0.963  -4.279
  415   2HB   ALA  56           HB2      ALA  56  -9.996   1.021  -2.661
  416   3HB   ALA  56           HB3      ALA  56  -9.308   2.488  -3.317
  417    H    CYS  57           HN       CYS  57  -7.093   3.542  -2.671
  418    HA   CYS  57           HA       CYS  57  -5.371   3.564  -4.784
  419   1HB   CYS  57           HB1      CYS  57  -5.824   5.356  -2.394
  420   2HB   CYS  57           HB2      CYS  57  -4.570   5.754  -3.576
  421    H    ARG  58           HN       ARG  58  -4.838   2.933  -1.428
  422    HA   ARG  58           HA       ARG  58  -2.118   2.880  -1.280
  423   1HB   ARG  58           HB1      ARG  58  -4.211   1.103   0.114
  424   2HB   ARG  58           HB2      ARG  58  -2.480   1.029   0.574
  425   1HG   ARG  58           HG1      ARG  58  -3.809   3.713   0.568
  426   2HG   ARG  58           HG2      ARG  58  -4.323   2.576   1.832
  427   1HD   ARG  58           HD1      ARG  58  -1.382   3.412   1.356
  428   2HD   ARG  58           HD2      ARG  58  -2.471   4.117   2.602
  429    HE   ARG  58           HE       ARG  58  -1.409   1.321   2.488
  430   1HH1  ARG  58          HH21      ARG  58  -4.031   2.165   5.404
  431   2HH1  ARG  58          HH22      ARG  58  -3.706   3.396   4.230
  432   1HH2  ARG  58          HH11      ARG  58  -2.845   0.152   5.371
  433   2HH2  ARG  58          HH12      ARG  58  -1.628  -0.130   4.171
  434    H    TYR  59           HN       TYR  59  -4.413   0.367  -2.418
  435    HA   TYR  59           HA       TYR  59  -2.477  -1.711  -2.582
  436   1HB   TYR  59           HB1      TYR  59  -4.897  -2.098  -2.053
  437   2HB   TYR  59           HB2      TYR  59  -5.330  -1.529  -3.689
  438    HD1  TYR  59           HD1      TYR  59  -2.336  -3.807  -3.257
  439    HD2  TYR  59           HD2      TYR  59  -6.562  -3.568  -4.052
  440    HE1  TYR  59           HE1      TYR  59  -2.328  -6.146  -4.025
  441    HE2  TYR  59           HE2      TYR  59  -6.553  -5.920  -4.772
  442    HH   TYR  59           HH       TYR  59  -3.530  -7.857  -4.835
  443    H    ARG  60           HN       ARG  60  -3.886   0.766  -4.672
  444    HA   ARG  60           HA       ARG  60  -2.752  -0.096  -7.074
  445   1HB   ARG  60           HB1      ARG  60  -3.937   2.556  -6.165
  446   2HB   ARG  60           HB2      ARG  60  -3.284   2.391  -7.801
  447   1HG   ARG  60           HG1      ARG  60  -5.312   0.298  -6.895
  448   2HG   ARG  60           HG2      ARG  60  -5.882   1.965  -7.132
  449   1HD   ARG  60           HD1      ARG  60  -6.299   0.639  -9.131
  450   2HD   ARG  60           HD2      ARG  60  -5.140   1.953  -9.532
  451    HE   ARG  60           HE       ARG  60  -4.516  -0.975  -9.182
  452   1HH1  ARG  60          HH21      ARG  60  -1.578   1.544 -10.342
  453   2HH1  ARG  60          HH22      ARG  60  -3.162   2.203 -10.095
  454   1HH2  ARG  60          HH11      ARG  60  -1.200  -0.748 -10.111
  455   2HH2  ARG  60          HH12      ARG  60  -2.498  -1.816  -9.690
  456    H    LYS  61           HN       LYS  61  -1.667   2.149  -4.559
  457    HA   LYS  61           HA       LYS  61   0.409   3.194  -6.021
  458   1HB   LYS  61           HB1      LYS  61  -0.878   4.318  -4.198
  459   2HB   LYS  61           HB2      LYS  61   0.073   3.401  -2.995
  460   1HG   LYS  61           HG1      LYS  61   2.087   4.568  -3.592
  461   2HG   LYS  61           HG2      LYS  61   1.457   4.990  -5.215
  462   1HD   LYS  61           HD1      LYS  61  -0.124   6.626  -4.274
  463   2HD   LYS  61           HD2      LYS  61   0.391   6.238  -2.608
  464   1HE   LYS  61           HE1      LYS  61   2.712   7.091  -3.105
  465   2HE   LYS  61           HE2      LYS  61   2.232   7.412  -4.817
  466   1HZ   LYS  61           HZ1      LYS  61   1.049   8.659  -2.410
  467   2HZ   LYS  61           HZ2      LYS  61   2.158   9.364  -3.486
  468   3HZ   LYS  61           HZ3      LYS  61   0.601   8.950  -4.021
  469    H    CYS  62           HN       CYS  62   0.415   0.630  -3.623
  470    HA   CYS  62           HA       CYS  62   3.153   0.299  -3.474
  471   1HB   CYS  62           HB1      CYS  62   2.687  -2.018  -2.614
  472   2HB   CYS  62           HB2      CYS  62   1.889  -0.705  -1.725
  473    HG1  CYS  62           HG1      CYS  62   0.610  -2.684  -4.054
  474    H    LEU  63           HN       LEU  63   0.828  -1.110  -5.741
  475    HA   LEU  63           HA       LEU  63   2.608  -2.816  -7.031
  476   1HB   LEU  63           HB1      LEU  63  -0.024  -1.528  -7.935
  477   2HB   LEU  63           HB2      LEU  63   0.838  -2.726  -8.946
  478    HG   LEU  63           HG       LEU  63  -0.130  -3.294  -6.082
  479   1HD1  LEU  63          HD11      LEU  63  -2.011  -4.548  -7.093
  480   2HD1  LEU  63          HD12      LEU  63  -2.076  -2.811  -7.557
  481   3HD1  LEU  63          HD13      LEU  63  -1.497  -4.038  -8.745
  482   1HD2  LEU  63          HD21      LEU  63   0.177  -5.713  -6.781
  483   2HD2  LEU  63          HD22      LEU  63   0.944  -5.145  -8.306
  484   3HD2  LEU  63          HD23      LEU  63   1.716  -4.786  -6.717
  485    H    GLN  64           HN       GLN  64   1.780   0.599  -7.576
  486    HA   GLN  64           HA       GLN  64   3.162   0.904  -9.940
  487   1HB   GLN  64           HB1      GLN  64   2.203   2.872 -10.026
  488   2HB   GLN  64           HB2      GLN  64   1.399   2.429  -8.497
  489   1HG   GLN  64           HG1      GLN  64   3.212   3.673  -7.210
  490   2HG   GLN  64           HG2      GLN  64   3.991   4.096  -8.767
  491   1HE2  GLN  64          HE21      GLN  64   3.546   6.188  -9.321
  492   2HE2  GLN  64          HE22      GLN  64   2.042   7.018  -9.100
  493    H    ALA  65           HN       ALA  65   4.177   0.914  -6.648
  494    HA   ALA  65           HA       ALA  65   6.623   2.158  -6.861
  495   1HB   ALA  65           HB1      ALA  65   6.933   1.623  -4.591
  496   2HB   ALA  65           HB2      ALA  65   5.144   1.659  -4.757
  497   3HB   ALA  65           HB3      ALA  65   6.001   0.078  -4.712
  498    H    GLY  66           HN       GLY  66   5.590  -1.154  -7.225
  499   1HA   GLY  66           HA1      GLY  66   6.780  -2.392  -8.896
  500   2HA   GLY  66           HA2      GLY  66   8.314  -1.985  -8.040
  501    H    MET  67           HN       MET  67   5.597  -2.518  -5.946
  502    HA   MET  67           HA       MET  67   6.880  -4.654  -4.748
  503   1HB   MET  67           HB1      MET  67   4.083  -3.598  -4.244
  504   2HB   MET  67           HB2      MET  67   4.784  -4.986  -3.355
  505   1HG   MET  67           HG1      MET  67   6.766  -3.608  -2.693
  506   2HG   MET  67           HG2      MET  67   6.025  -2.179  -3.497
  507   1HE   MET  67           HE1      MET  67   4.728  -5.152  -1.149
  508   2HE   MET  67           HE2      MET  67   4.204  -4.255   0.335
  509   3HE   MET  67           HE3      MET  67   5.945  -4.420  -0.051
  510    H    ASN  68           HN       ASN  68   6.262  -6.881  -4.463
  511    HA   ASN  68           HA       ASN  68   4.225  -8.065  -6.005
  512   1HB   ASN  68           HB1      ASN  68   6.356  -7.651  -7.693
  513   2HB   ASN  68           HB2      ASN  68   7.028  -9.048  -6.869
  514   1HD2  ASN  68          HD21      ASN  68   3.663 -10.720  -8.266
  515   2HD2  ASN  68          HD22      ASN  68   3.788  -9.862  -6.764
  516    H    LEU  69           HN       LEU  69   3.644  -9.594  -4.713
  517    HA   LEU  69           HA       LEU  69   5.257 -10.288  -2.429
  518   1HB   LEU  69           HB1      LEU  69   3.168  -9.652  -1.791
  519   2HB   LEU  69           HB2      LEU  69   2.374 -10.451  -3.198
  520    HG   LEU  69           HG       LEU  69   3.016 -12.735  -2.034
  521   1HD1  LEU  69          HD11      LEU  69   3.143 -12.619   0.460
  522   2HD1  LEU  69          HD12      LEU  69   4.580 -11.919  -0.357
  523   3HD1  LEU  69          HD13      LEU  69   3.330 -10.824   0.357
  524   1HD2  LEU  69          HD21      LEU  69   0.914 -12.511  -0.551
  525   2HD2  LEU  69          HD22      LEU  69   0.829 -10.808  -1.156
  526   3HD2  LEU  69          HD23      LEU  69   0.769 -12.163  -2.315
  527    H    GLU  70           HN       GLU  70   6.824 -11.363  -3.165
  528    HA   GLU  70           HA       GLU  70   7.938 -13.298  -3.354
  529   1HB   GLU  70           HB1      GLU  70   5.951 -14.296  -5.454
  530   2HB   GLU  70           HB2      GLU  70   7.530 -15.045  -5.046
  531   1HG   GLU  70           HG1      GLU  70   6.749 -15.516  -2.711
  532   2HG   GLU  70           HG2      GLU  70   5.176 -14.732  -3.044
  533    H    ALA  71           HN       ALA  71   9.054 -11.396  -3.825
  534    HA   ALA  71           HA       ALA  71   9.413 -10.730  -6.676
  535   1HB   ALA  71           HB1      ALA  71  10.156  -8.440  -5.882
  536   2HB   ALA  71           HB2      ALA  71   8.455  -8.776  -5.546
  537   3HB   ALA  71           HB3      ALA  71   9.659  -8.906  -4.206
  538    H    ARG  72           HN       ARG  72  11.662  -9.155  -4.828
  539    HA   ARG  72           HA       ARG  72  13.719 -11.228  -5.164
  540   1HB   ARG  72           HB1      ARG  72  13.736  -9.306  -6.827
  541   2HB   ARG  72           HB2      ARG  72  13.924  -8.171  -5.468
  542   1HG   ARG  72           HG1      ARG  72  16.140  -9.329  -4.897
  543   2HG   ARG  72           HG2      ARG  72  15.907 -10.378  -6.335
  544   1HD   ARG  72           HD1      ARG  72  15.846  -8.296  -7.807
  545   2HD   ARG  72           HD2      ARG  72  16.170  -7.284  -6.336
  546    HE   ARG  72           HE       ARG  72  18.269  -8.722  -6.072
  547   1HH1  ARG  72          HH21      ARG  72  18.632  -6.676  -9.517
  548   2HH1  ARG  72          HH22      ARG  72  17.048  -7.194  -9.044
  549   1HH2  ARG  72          HH11      ARG  72  20.332  -8.273  -6.849
  550   2HH2  ARG  72          HH12      ARG  72  20.504  -7.291  -8.266
   
  No H/Q in entry =         550
  Start of MODEL   20
    1   1H    LEU   1           HT1      LEU   1  12.079   6.132   2.931
    2   2H    LEU   1           HT2      LEU   1  12.220   6.836   4.469
    3   3H    LEU   1           HT3      LEU   1  11.978   5.161   4.321
    4    HA   LEU   1           HA       LEU   1  10.020   6.245   4.980
    5   1HB   LEU   1           HB1      LEU   1   8.817   7.849   3.606
    6   2HB   LEU   1           HB2      LEU   1  10.424   8.481   3.991
    7    HG   LEU   1           HG       LEU   1   9.773   7.138   1.290
    8   1HD1  LEU   1          HD11      LEU   1   9.379   9.377   0.335
    9   2HD1  LEU   1          HD12      LEU   1   8.171   8.975   1.602
   10   3HD1  LEU   1          HD13      LEU   1   9.510  10.122   1.970
   11   1HD2  LEU   1          HD21      LEU   1  12.032   9.055   2.143
   12   2HD2  LEU   1          HD22      LEU   1  12.197   7.325   1.670
   13   3HD2  LEU   1          HD23      LEU   1  11.695   8.537   0.454
   14    H    CYS   2           HN       CYS   2   7.912   5.462   4.378
   15    HA   CYS   2           HA       CYS   2   7.706   3.137   2.898
   16   1HB   CYS   2           HB1      CYS   2   6.301   3.586   4.906
   17   2HB   CYS   2           HB2      CYS   2   5.563   5.021   4.043
   18    H    LEU   3           HN       LEU   3   7.116   2.912   0.684
   19    HA   LEU   3           HA       LEU   3   7.037   5.479  -0.650
   20   1HB   LEU   3           HB1      LEU   3   7.782   2.676  -1.475
   21   2HB   LEU   3           HB2      LEU   3   7.711   3.989  -2.704
   22    HG   LEU   3           HG       LEU   3   9.460   4.099  -0.193
   23   1HD1  LEU   3          HD11      LEU   3  11.434   3.652  -1.699
   24   2HD1  LEU   3          HD12      LEU   3  10.313   2.260  -1.580
   25   3HD1  LEU   3          HD13      LEU   3  10.300   3.298  -3.055
   26   1HD2  LEU   3          HD21      LEU   3  10.661   5.964  -1.356
   27   2HD2  LEU   3          HD22      LEU   3   9.482   5.873  -2.717
   28   3HD2  LEU   3          HD23      LEU   3   8.933   6.354  -1.067
   29    H    VAL   4           HN       VAL   4   4.870   3.898   0.595
   30    HA   VAL   4           HA       VAL   4   3.000   3.706  -1.664
   31    HB   VAL   4           HB       VAL   4   2.792   2.128   0.921
   32   1HG1  VAL   4          HG21      VAL   4   1.283   1.896  -1.715
   33   2HG1  VAL   4          HG22      VAL   4   1.130   0.772  -0.294
   34   3HG1  VAL   4          HG23      VAL   4   0.660   2.508  -0.141
   35   1HG2  VAL   4          HG11      VAL   4   4.023   1.243  -1.723
   36   2HG2  VAL   4          HG12      VAL   4   4.845   1.457  -0.140
   37   3HG2  VAL   4          HG13      VAL   4   3.617   0.161  -0.321
   38    H    CYS   5           HN       CYS   5   3.044   4.195   1.882
   39    HA   CYS   5           HA       CYS   5   0.840   6.143   1.462
   40   1HB   CYS   5           HB1      CYS   5  -0.079   5.862   3.594
   41   2HB   CYS   5           HB2      CYS   5  -0.005   4.285   2.802
   42    H    SER   6           HN       SER   6   3.869   6.213   1.331
   43    HA   SER   6           HA       SER   6   5.515   7.642   1.896
   44   1HB   SER   6           HB1      SER   6   3.415   9.724   1.600
   45   2HB   SER   6           HB2      SER   6   5.133   9.803   1.036
   46    HG   SER   6           HG1      SER   6   3.085   8.003   0.186
   47    H    ASP   7           HN       ASP   7   5.262   6.646   4.167
   48    HA   ASP   7           HA       ASP   7   5.103   8.783   6.217
   49   1HB   ASP   7           HB1      ASP   7   3.174   7.061   6.068
   50   2HB   ASP   7           HB2      ASP   7   4.347   5.768   6.270
   51    H    GLU   8           HN       GLU   8   6.480   7.792   8.242
   52    HA   GLU   8           HA       GLU   8   9.062   7.297   7.354
   53   1HB   GLU   8           HB1      GLU   8   8.561   6.600  10.207
   54   2HB   GLU   8           HB2      GLU   8   9.807   7.630   9.477
   55   1HG   GLU   8           HG1      GLU   8   6.832   8.389   9.998
   56   2HG   GLU   8           HG2      GLU   8   8.213   8.801  11.054
   57    H    ALA   9           HN       ALA   9   9.932   5.358   6.581
   58    HA   ALA   9           HA       ALA   9   8.439   2.943   7.071
   59   1HB   ALA   9           HB1      ALA   9  10.333   1.918   5.509
   60   2HB   ALA   9           HB2      ALA   9   9.024   2.895   4.820
   61   3HB   ALA   9           HB3      ALA   9  10.664   3.631   5.140
   62    H    SER  10           HN       SER  10   9.302   0.996   7.775
   63    HA   SER  10           HA       SER  10  11.827   0.677   8.882
   64   1HB   SER  10           HB1      SER  10  11.135   0.409  11.343
   65   2HB   SER  10           HB2      SER  10  11.173   2.100  10.771
   66    HG   SER  10           HG1      SER  10   8.855   0.480  10.897
   67    H    GLY  11           HN       GLY  11  10.334  -0.602   6.921
   68   1HA   GLY  11           HA1      GLY  11  10.380  -3.225   7.809
   69   2HA   GLY  11           HA2      GLY  11   8.665  -2.622   7.804
   70    H    CYS  12           HN       CYS  12  11.641  -2.451   5.765
   71    HA   CYS  12           HA       CYS  12  10.136  -2.353   3.319
   72   1HB   CYS  12           HB1      CYS  12  12.428  -2.372   2.243
   73   2HB   CYS  12           HB2      CYS  12  12.110  -1.030   3.372
   74    HG1  CYS  12           HG1      CYS  12  13.334  -2.083   5.446
   75    H    HIS  13           HN       HIS  13   9.591  -4.197   1.970
   76    HA   HIS  13           HA       HIS  13  10.992  -6.596   2.173
   77   1HB   HIS  13           HB1      HIS  13   9.888  -6.682   4.525
   78   2HB   HIS  13           HB2      HIS  13   8.305  -6.601   3.727
   79    HD2  HIS  13           HD2      HIS  13   7.500  -9.109   4.542
   80    HE1  HIS  13           HE1      HIS  13  10.832 -11.271   3.099
   81    HE2  HIS  13           HE2      HIS  13   8.529 -11.432   4.193
   82    H    TYR  14           HN       TYR  14   9.894  -8.200   0.835
   83    HA   TYR  14           HA       TYR  14   8.697  -8.922  -0.809
   84   1HB   TYR  14           HB1      TYR  14   6.869  -6.450  -0.849
   85   2HB   TYR  14           HB2      TYR  14   6.543  -7.916  -1.666
   86    HD1  TYR  14           HD1      TYR  14   7.209 -10.182   0.201
   87    HD2  TYR  14           HD2      TYR  14   5.181  -6.488   0.882
   88    HE1  TYR  14           HE1      TYR  14   6.373 -11.066   2.296
   89    HE2  TYR  14           HE2      TYR  14   4.355  -7.349   3.003
   90    HH   TYR  14           HH       TYR  14   5.152 -10.678   4.136
   91    H    GLY  15           HN       GLY  15   8.093  -6.062  -2.544
   92   1HA   GLY  15           HA1      GLY  15  10.748  -6.336  -3.798
   93   2HA   GLY  15           HA2      GLY  15   9.241  -5.661  -4.474
   94    H    VAL  16           HN       VAL  16   9.027  -3.945  -1.693
   95    HA   VAL  16           HA       VAL  16  11.002  -1.932  -2.583
   96    HB   VAL  16           HB       VAL  16   8.007  -1.446  -2.302
   97   1HG1  VAL  16          HG21      VAL  16  10.180   0.416  -3.370
   98   2HG1  VAL  16          HG22      VAL  16   8.423   0.609  -3.710
   99   3HG1  VAL  16          HG23      VAL  16   8.988   0.681  -2.019
  100   1HG2  VAL  16          HG11      VAL  16   9.554  -1.683  -4.970
  101   2HG2  VAL  16          HG12      VAL  16   8.367  -2.864  -4.326
  102   3HG2  VAL  16          HG13      VAL  16   7.820  -1.221  -4.768
  103    H    LEU  17           HN       LEU  17  10.957  -0.046  -1.208
  104    HA   LEU  17           HA       LEU  17  11.066  -0.611   1.529
  105   1HB   LEU  17           HB1      LEU  17  12.078   1.435  -0.149
  106   2HB   LEU  17           HB2      LEU  17  10.914   2.309   0.861
  107    HG   LEU  17           HG       LEU  17  12.087   1.086   2.890
  108   1HD1  LEU  17          HD11      LEU  17  14.442   0.452   2.573
  109   2HD1  LEU  17          HD12      LEU  17  13.441  -0.511   1.425
  110   3HD1  LEU  17          HD13      LEU  17  14.382   0.896   0.828
  111   1HD2  LEU  17          HD21      LEU  17  13.841   2.861   3.060
  112   2HD2  LEU  17          HD22      LEU  17  13.500   3.348   1.355
  113   3HD2  LEU  17          HD23      LEU  17  12.223   3.493   2.623
  114    H    THR  18           HN       THR  18   9.499  -0.340   3.155
  115    HA   THR  18           HA       THR  18   7.136   1.237   2.610
  116    HB   THR  18           HB       THR  18   5.860  -1.102   3.573
  117    HG1  THR  18           HG1      THR  18   6.657  -2.843   2.474
  118   1HG2  THR  18          HG21      THR  18   5.023  -1.646   1.415
  119   2HG2  THR  18          HG22      THR  18   5.069   0.144   1.609
  120   3HG2  THR  18          HG23      THR  18   6.314  -0.676   0.583
  121    H    CYS  19           HN       CYS  19   5.619   0.960   4.553
  122    HA   CYS  19           HA       CYS  19   7.281   1.408   6.835
  123   1HB   CYS  19           HB1      CYS  19   5.425   2.171   8.091
  124   2HB   CYS  19           HB2      CYS  19   5.610   3.050   6.646
  125    H    GLY  20           HN       GLY  20   5.626   0.466   8.926
  126   1HA   GLY  20           HA1      GLY  20   6.267  -2.334   8.979
  127   2HA   GLY  20           HA2      GLY  20   5.397  -1.340  10.207
  128    H    SER  21           HN       SER  21   3.304  -0.360   8.799
  129    HA   SER  21           HA       SER  21   1.498  -2.481   8.828
  130   1HB   SER  21           HB1      SER  21   1.101  -0.027   9.495
  131   2HB   SER  21           HB2      SER  21   0.927   0.342   7.748
  132    HG   SER  21           HG1      SER  21  -0.575  -1.528   9.283
  133    H    CYS  22           HN       CYS  22   2.969  -0.773   5.965
  134    HA   CYS  22           HA       CYS  22   1.072  -1.733   4.183
  135   1HB   CYS  22           HB1      CYS  22   3.718  -0.456   3.570
  136   2HB   CYS  22           HB2      CYS  22   2.596  -1.062   2.301
  137    H    LYS  23           HN       LYS  23   3.794  -3.235   5.500
  138    HA   LYS  23           HA       LYS  23   4.231  -5.231   3.677
  139   1HB   LYS  23           HB1      LYS  23   5.756  -4.586   5.577
  140   2HB   LYS  23           HB2      LYS  23   4.592  -5.284   6.727
  141   1HG   LYS  23           HG1      LYS  23   4.949  -7.559   5.524
  142   2HG   LYS  23           HG2      LYS  23   6.284  -6.777   4.624
  143   1HD   LYS  23           HD1      LYS  23   6.032  -7.141   7.682
  144   2HD   LYS  23           HD2      LYS  23   7.104  -8.062   6.586
  145   1HE   LYS  23           HE1      LYS  23   8.399  -5.930   6.078
  146   2HE   LYS  23           HE2      LYS  23   7.327  -5.026   7.213
  147   1HZ   LYS  23           HZ1      LYS  23   8.041  -6.454   8.963
  148   2HZ   LYS  23           HZ2      LYS  23   9.040  -7.330   7.909
  149   3HZ   LYS  23           HZ3      LYS  23   9.364  -5.692   8.221
  150    H    VAL  24           HN       VAL  24   2.417  -5.229   6.687
  151    HA   VAL  24           HA       VAL  24   1.210  -7.699   6.426
  152    HB   VAL  24           HB       VAL  24   0.248  -5.283   8.099
  153   1HG1  VAL  24          HG21      VAL  24  -0.124  -8.289   8.684
  154   2HG1  VAL  24          HG22      VAL  24  -0.552  -6.925   9.794
  155   3HG1  VAL  24          HG23      VAL  24  -1.407  -7.107   8.226
  156   1HG2  VAL  24          HG11      VAL  24   2.442  -7.294   8.868
  157   2HG2  VAL  24          HG12      VAL  24   2.630  -5.526   8.547
  158   3HG2  VAL  24          HG13      VAL  24   1.696  -6.072   9.968
  159    H    PHE  25           HN       PHE  25   0.152  -4.570   5.504
  160    HA   PHE  25           HA       PHE  25  -2.510  -4.905   4.938
  161   1HB   PHE  25           HB1      PHE  25  -1.325  -2.712   5.054
  162   2HB   PHE  25           HB2      PHE  25  -0.271  -3.189   3.716
  163    HD1  PHE  25           HD1      PHE  25  -4.100  -3.248   4.016
  164    HD2  PHE  25           HD2      PHE  25  -0.578  -1.823   1.984
  165    HE1  PHE  25           HE1      PHE  25  -5.511  -2.224   2.258
  166    HE2  PHE  25           HE2      PHE  25  -1.959  -0.823   0.260
  167    HZ   PHE  25           HZ       PHE  25  -4.454  -1.018   0.364
  168    H    PHE  26           HN       PHE  26   0.261  -4.882   2.800
  169    HA   PHE  26           HA       PHE  26  -0.962  -5.709   0.485
  170   1HB   PHE  26           HB1      PHE  26   1.156  -4.340   0.609
  171   2HB   PHE  26           HB2      PHE  26   2.007  -5.758   1.282
  172    HD1  PHE  26           HD2      PHE  26  -0.212  -5.003  -1.737
  173    HD2  PHE  26           HD1      PHE  26   3.374  -6.801  -0.218
  174    HE1  PHE  26           HE2      PHE  26   0.455  -5.614  -4.030
  175    HE2  PHE  26           HE1      PHE  26   4.076  -7.354  -2.496
  176    HZ   PHE  26           HZ       PHE  26   2.597  -6.860  -4.413
  177    H    LYS  27           HN       LYS  27   0.730  -7.567   2.889
  178    HA   LYS  27           HA       LYS  27   0.891 -10.020   1.537
  179   1HB   LYS  27           HB1      LYS  27   2.422  -9.583   3.253
  180   2HB   LYS  27           HB2      LYS  27   1.133  -9.176   4.440
  181   1HG   LYS  27           HG1      LYS  27   2.120 -11.174   5.157
  182   2HG   LYS  27           HG2      LYS  27   0.519 -11.639   4.552
  183   1HD   LYS  27           HD1      LYS  27   3.131 -12.002   2.952
  184   2HD   LYS  27           HD2      LYS  27   2.505 -13.190   4.123
  185   1HE   LYS  27           HE1      LYS  27   0.321 -13.336   2.782
  186   2HE   LYS  27           HE2      LYS  27   1.129 -12.366   1.485
  187   1HZ   LYS  27           HZ1      LYS  27   2.828 -14.058   1.402
  188   2HZ   LYS  27           HZ2      LYS  27   2.015 -14.966   2.586
  189   3HZ   LYS  27           HZ3      LYS  27   1.280 -14.676   1.082
  190    H    ARG  28           HN       ARG  28  -1.687  -8.629   3.572
  191    HA   ARG  28           HA       ARG  28  -3.301 -11.035   3.394
  192   1HB   ARG  28           HB1      ARG  28  -3.496  -8.333   4.770
  193   2HB   ARG  28           HB2      ARG  28  -5.023  -9.176   4.428
  194   1HG   ARG  28           HG1      ARG  28  -4.310  -9.578   6.693
  195   2HG   ARG  28           HG2      ARG  28  -4.467 -11.085   5.762
  196   1HD   ARG  28           HD1      ARG  28  -1.707  -9.736   6.172
  197   2HD   ARG  28           HD2      ARG  28  -2.419 -10.780   7.447
  198    HE   ARG  28           HE       ARG  28  -1.681 -11.624   4.661
  199   1HH1  ARG  28          HH21      ARG  28  -3.312 -14.316   7.181
  200   2HH1  ARG  28          HH22      ARG  28  -3.099 -12.692   7.746
  201   1HH2  ARG  28          HH11      ARG  28  -2.551 -14.933   5.051
  202   2HH2  ARG  28          HH12      ARG  28  -1.771 -13.773   4.027
  203    H    ALA  29           HN       ALA  29  -3.090  -7.859   1.957
  204    HA   ALA  29           HA       ALA  29  -5.507  -7.913   0.591
  205   1HB   ALA  29           HB1      ALA  29  -4.703  -5.903  -0.618
  206   2HB   ALA  29           HB2      ALA  29  -4.402  -5.810   1.137
  207   3HB   ALA  29           HB3      ALA  29  -3.033  -6.219   0.046
  208    H    VAL  30           HN       VAL  30  -2.435  -9.295  -0.235
  209    HA   VAL  30           HA       VAL  30  -3.071  -9.657  -3.030
  210    HB   VAL  30           HB       VAL  30  -0.630 -10.310  -1.322
  211   1HG1  VAL  30          HG21      VAL  30  -0.971 -10.707  -4.348
  212   2HG1  VAL  30          HG22      VAL  30   0.575 -10.901  -3.419
  213   3HG1  VAL  30          HG23      VAL  30  -0.805 -12.021  -3.110
  214   1HG2  VAL  30          HG11      VAL  30  -0.687  -8.335  -3.680
  215   2HG2  VAL  30          HG12      VAL  30  -1.073  -7.817  -2.011
  216   3HG2  VAL  30          HG13      VAL  30   0.531  -8.529  -2.357
  217    H    GLU  31           HN       GLU  31  -2.114 -11.637  -0.260
  218    HA   GLU  31           HA       GLU  31  -3.425 -13.987  -1.447
  219   1HB   GLU  31           HB1      GLU  31  -1.304 -13.824   0.732
  220   2HB   GLU  31           HB2      GLU  31  -2.276 -15.295   0.398
  221   1HG   GLU  31           HG1      GLU  31  -1.508 -15.084  -2.091
  222   2HG   GLU  31           HG2      GLU  31  -0.305 -13.887  -1.515
  223    H    GLY  32           HN       GLY  32  -5.248 -12.574  -1.035
  224   1HA   GLY  32           HA1      GLY  32  -6.831 -13.814   0.970
  225   2HA   GLY  32           HA2      GLY  32  -6.569 -12.041   1.264
  226    H    GLN  33           HN       GLN  33  -8.733 -11.411   0.725
  227    HA   GLN  33           HA       GLN  33  -9.254 -11.325  -2.118
  228   1HB   GLN  33           HB1      GLN  33 -11.741 -11.947  -1.598
  229   2HB   GLN  33           HB2      GLN  33 -10.515 -13.206  -1.825
  230   1HG   GLN  33           HG1      GLN  33 -11.886 -13.962  -0.056
  231   2HG   GLN  33           HG2      GLN  33 -10.305 -13.569   0.657
  232   1HE2  GLN  33          HE21      GLN  33 -10.233 -11.972   2.316
  233   2HE2  GLN  33          HE22      GLN  33 -11.630 -11.153   2.931
  234    H    HIS  34           HN       HIS  34  -8.185  -9.261  -1.171
  235    HA   HIS  34           HA       HIS  34 -10.087  -7.509   0.140
  236   1HB   HIS  34           HB1      HIS  34  -7.181  -7.121  -0.695
  237   2HB   HIS  34           HB2      HIS  34  -8.201  -5.814  -0.025
  238    HD2  HIS  34           HD2      HIS  34  -7.493  -9.558   1.177
  239    HE1  HIS  34           HE1      HIS  34  -7.181  -6.921   4.471
  240    HE2  HIS  34           HE2      HIS  34  -7.078  -9.361   3.725
  241    H    ASN  35           HN       ASN  35 -11.510  -6.350  -1.102
  242    HA   ASN  35           HA       ASN  35 -10.851  -5.835  -3.937
  243   1HB   ASN  35           HB1      ASN  35 -13.596  -6.439  -2.660
  244   2HB   ASN  35           HB2      ASN  35 -13.324  -5.968  -4.372
  245   1HD2  ASN  35          HD21      ASN  35 -13.069  -9.876  -3.318
  246   2HD2  ASN  35          HD22      ASN  35 -13.704  -8.638  -2.287
  247    H    TYR  36           HN       TYR  36  -9.960  -3.812  -3.565
  248    HA   TYR  36           HA       TYR  36 -11.909  -1.746  -3.226
  249   1HB   TYR  36           HB1      TYR  36  -9.383  -0.939  -1.850
  250   2HB   TYR  36           HB2      TYR  36 -11.071  -0.528  -1.488
  251    HD1  TYR  36           HD2      TYR  36 -12.396  -2.058  -0.035
  252    HD2  TYR  36           HD1      TYR  36  -8.179  -2.696  -0.706
  253    HE1  TYR  36           HE2      TYR  36 -12.261  -3.383   2.035
  254    HE2  TYR  36           HE1      TYR  36  -8.045  -3.952   1.390
  255    HH   TYR  36           HH       TYR  36  -9.149  -4.749   3.193
  256    H    LEU  37           HN       LEU  37 -11.722  -0.705  -5.109
  257    HA   LEU  37           HA       LEU  37  -9.064  -0.277  -6.249
  258   1HB   LEU  37           HB1      LEU  37 -11.619  -0.994  -7.820
  259   2HB   LEU  37           HB2      LEU  37 -10.045  -0.566  -8.564
  260    HG   LEU  37           HG       LEU  37 -10.543  -3.046  -6.804
  261   1HD1  LEU  37          HD11      LEU  37 -10.540  -4.358  -8.899
  262   2HD1  LEU  37          HD12      LEU  37 -11.879  -3.155  -8.883
  263   3HD1  LEU  37          HD13      LEU  37 -10.406  -2.844  -9.875
  264   1HD2  LEU  37          HD21      LEU  37  -8.365  -3.864  -7.690
  265   2HD2  LEU  37          HD22      LEU  37  -8.120  -2.315  -8.577
  266   3HD2  LEU  37          HD23      LEU  37  -8.150  -2.333  -6.778
  267    H    CYS  38           HN       CYS  38 -10.942   1.086  -4.516
  268    HA   CYS  38           HA       CYS  38 -11.357   3.036  -3.919
  269   1HB   CYS  38           HB1      CYS  38  -9.378   3.810  -5.225
  270   2HB   CYS  38           HB2      CYS  38 -10.482   4.289  -6.566
  271    H    ALA  39           HN       ALA  39 -13.248   3.612  -3.423
  272    HA   ALA  39           HA       ALA  39 -15.501   2.953  -4.983
  273   1HB   ALA  39           HB1      ALA  39 -16.764   3.698  -2.937
  274   2HB   ALA  39           HB2      ALA  39 -15.419   2.586  -2.509
  275   3HB   ALA  39           HB3      ALA  39 -15.217   4.358  -2.264
  276    H    GLY  40           HN       GLY  40 -13.459   5.565  -4.755
  277   1HA   GLY  40           HA1      GLY  40 -15.397   7.700  -5.319
  278   2HA   GLY  40           HA2      GLY  40 -13.604   7.816  -5.112
  279    H    ARG  41           HN       ARG  41 -12.296   7.772  -6.893
  280    HA   ARG  41           HA       ARG  41 -13.437   6.923  -9.478
  281   1HB   ARG  41           HB1      ARG  41 -11.645   9.332  -8.841
  282   2HB   ARG  41           HB2      ARG  41 -11.823   8.670 -10.491
  283   1HG   ARG  41           HG1      ARG  41 -14.137   9.838  -8.815
  284   2HG   ARG  41           HG2      ARG  41 -13.150  10.717 -10.017
  285   1HD   ARG  41           HD1      ARG  41 -13.906   8.811 -11.732
  286   2HD   ARG  41           HD2      ARG  41 -15.161   8.429 -10.495
  287    HE   ARG  41           HE       ARG  41 -16.062  10.667 -10.754
  288   1HH1  ARG  41          HH21      ARG  41 -13.400  11.982 -13.480
  289   2HH1  ARG  41          HH22      ARG  41 -13.189  10.387 -12.838
  290   1HH2  ARG  41          HH11      ARG  41 -15.258  13.264 -12.881
  291   2HH2  ARG  41          HH12      ARG  41 -16.447  12.635 -11.789
  292    H    ASN  42           HN       ASN  42 -10.527   7.958  -7.961
  293    HA   ASN  42           HA       ASN  42  -8.762   6.473  -7.322
  294   1HB   ASN  42           HB1      ASN  42  -9.086   4.567  -8.929
  295   2HB   ASN  42           HB2      ASN  42  -8.770   5.657 -10.305
  296   1HD2  ASN  42          HD21      ASN  42  -5.574   4.672  -7.790
  297   2HD2  ASN  42          HD22      ASN  42  -7.194   4.843  -7.171
  298    H    ASP  43           HN       ASP  43  -8.994   8.826  -6.985
  299    HA   ASP  43           HA       ASP  43  -7.473  10.461  -8.877
  300   1HB   ASP  43           HB1      ASP  43  -8.704  12.398  -7.464
  301   2HB   ASP  43           HB2      ASP  43  -9.427  11.648  -8.922
  302    H    CYS  44           HN       CYS  44  -8.465   9.907  -5.492
  303    HA   CYS  44           HA       CYS  44  -6.955  11.749  -4.424
  304   1HB   CYS  44           HB1      CYS  44  -7.288  10.069  -2.218
  305   2HB   CYS  44           HB2      CYS  44  -8.466  11.180  -2.915
  306    H    ILE  45           HN       ILE  45  -5.106  11.889  -3.158
  307    HA   ILE  45           HA       ILE  45  -2.952  10.055  -3.818
  308    HB   ILE  45           HB       ILE  45  -2.987  12.726  -2.311
  309   1HG1  ILE  45          HG11      ILE  45  -3.573  13.116  -4.635
  310   2HG1  ILE  45          HG12      ILE  45  -1.950  13.752  -4.273
  311   1HG2  ILE  45          HG21      ILE  45  -0.480  12.756  -2.615
  312   2HG2  ILE  45          HG22      ILE  45  -1.031  11.446  -1.520
  313   3HG2  ILE  45          HG23      ILE  45  -0.549  11.056  -3.209
  314   1HD1  ILE  45           HD1      ILE  45  -1.952  12.697  -6.499
  315   2HD1  ILE  45           HD2      ILE  45  -0.918  11.715  -5.403
  316   3HD1  ILE  45           HD3      ILE  45  -2.578  11.150  -5.827
  317    H    ILE  46           HN       ILE  46  -1.885   8.893  -2.247
  318    HA   ILE  46           HA       ILE  46  -3.188   8.642   0.373
  319    HB   ILE  46           HB       ILE  46  -2.724   6.750  -1.819
  320   1HG1  ILE  46          HG11      ILE  46  -4.277   5.322  -0.718
  321   2HG1  ILE  46          HG12      ILE  46  -4.075   6.151   0.863
  322   1HG2  ILE  46          HG21      ILE  46  -1.975   4.779  -0.632
  323   2HG2  ILE  46          HG22      ILE  46  -0.671   6.006  -0.737
  324   3HG2  ILE  46          HG23      ILE  46  -1.526   5.741   0.833
  325   1HD1  ILE  46           HD1      ILE  46  -6.196   6.648  -0.326
  326   2HD1  ILE  46           HD2      ILE  46  -5.246   8.141  -0.013
  327   3HD1  ILE  46           HD3      ILE  46  -5.264   7.408  -1.680
  328    H    ASP  47           HN       ASP  47  -1.977   9.324   1.922
  329    HA   ASP  47           HA       ASP  47   0.791   8.731   1.941
  330   1HB   ASP  47           HB1      ASP  47   1.738  10.879   2.364
  331   2HB   ASP  47           HB2      ASP  47   1.058  10.772   0.734
  332    H    LYS  48           HN       LYS  48   1.423  10.094   4.275
  333    HA   LYS  48           HA       LYS  48   0.246   8.455   6.130
  334   1HB   LYS  48           HB1      LYS  48   1.580   9.741   7.842
  335   2HB   LYS  48           HB2      LYS  48   2.454   9.000   6.479
  336   1HG   LYS  48           HG1      LYS  48   2.842  11.063   5.373
  337   2HG   LYS  48           HG2      LYS  48   1.692  11.966   6.417
  338   1HD   LYS  48           HD1      LYS  48   3.129  11.678   8.383
  339   2HD   LYS  48           HD2      LYS  48   4.243  10.595   7.501
  340   1HE   LYS  48           HE1      LYS  48   3.781  13.577   6.775
  341   2HE   LYS  48           HE2      LYS  48   5.129  12.959   7.803
  342   1HZ   LYS  48           HZ1      LYS  48   5.770  13.288   5.540
  343   2HZ   LYS  48           HZ2      LYS  48   5.887  11.651   5.982
  344   3HZ   LYS  48           HZ3      LYS  48   4.604  12.176   5.000
  345    H    ILE  49           HN       ILE  49  -1.258  11.092   4.955
  346    HA   ILE  49           HA       ILE  49  -2.854  11.536   7.388
  347    HB   ILE  49           HB       ILE  49  -1.927  13.434   5.186
  348   1HG1  ILE  49          HG11      ILE  49  -0.374  13.305   7.058
  349   2HG1  ILE  49          HG12      ILE  49  -1.133  14.913   6.947
  350   1HG2  ILE  49          HG21      ILE  49  -3.418  15.244   6.090
  351   2HG2  ILE  49          HG22      ILE  49  -4.288  13.876   5.304
  352   3HG2  ILE  49          HG23      ILE  49  -4.258  13.997   7.103
  353   1HD1  ILE  49           HD1      ILE  49  -0.946  14.248   9.309
  354   2HD1  ILE  49           HD2      ILE  49  -2.689  14.299   8.864
  355   3HD1  ILE  49           HD3      ILE  49  -1.838  12.715   9.011
  356    H    ARG  50           HN       ARG  50  -2.738  11.491   3.887
  357    HA   ARG  50           HA       ARG  50  -5.568  11.523   3.582
  358   1HB   ARG  50           HB1      ARG  50  -3.466  11.068   1.414
  359   2HB   ARG  50           HB2      ARG  50  -5.175  11.584   1.197
  360   1HG   ARG  50           HG1      ARG  50  -4.604  13.700   2.548
  361   2HG   ARG  50           HG2      ARG  50  -2.900  13.173   2.535
  362   1HD   ARG  50           HD1      ARG  50  -3.099  14.757   0.713
  363   2HD   ARG  50           HD2      ARG  50  -2.996  13.124  -0.043
  364    HE   ARG  50           HE       ARG  50  -5.379  13.178  -0.460
  365   1HH1  ARG  50          HH21      ARG  50  -6.119  16.767   1.219
  366   2HH1  ARG  50          HH22      ARG  50  -4.499  16.155   1.281
  367   1HH2  ARG  50          HH11      ARG  50  -7.785  15.591   0.075
  368   2HH2  ARG  50          HH12      ARG  50  -7.419  14.096  -0.721
  369    H    ARG  51           HN       ARG  51  -3.681   8.991   4.418
  370    HA   ARG  51           HA       ARG  51  -4.675   6.992   2.701
  371   1HB   ARG  51           HB1      ARG  51  -3.654   5.298   3.913
  372   2HB   ARG  51           HB2      ARG  51  -2.536   6.657   3.871
  373   1HG   ARG  51           HG1      ARG  51  -4.274   5.762   6.274
  374   2HG   ARG  51           HG2      ARG  51  -2.545   5.417   6.011
  375   1HD   ARG  51           HD1      ARG  51  -2.037   7.904   6.160
  376   2HD   ARG  51           HD2      ARG  51  -3.781   8.216   6.509
  377    HE   ARG  51           HE       ARG  51  -3.584   6.958   8.554
  378   1HH1  ARG  51          HH21      ARG  51   0.296   5.931   8.201
  379   2HH1  ARG  51          HH22      ARG  51  -0.401   6.896   6.944
  380   1HH2  ARG  51          HH11      ARG  51  -0.954   5.372  10.098
  381   2HH2  ARG  51          HH12      ARG  51  -2.590   5.917  10.262
  382    H    LYS  52           HN       LYS  52  -6.380   8.654   5.038
  383    HA   LYS  52           HA       LYS  52  -8.147   6.481   5.735
  384   1HB   LYS  52           HB1      LYS  52  -7.745   9.277   6.890
  385   2HB   LYS  52           HB2      LYS  52  -8.977   8.128   7.501
  386   1HG   LYS  52           HG1      LYS  52  -5.988   7.370   7.501
  387   2HG   LYS  52           HG2      LYS  52  -6.676   8.431   8.751
  388   1HD   LYS  52           HD1      LYS  52  -6.579   6.137   9.557
  389   2HD   LYS  52           HD2      LYS  52  -8.269   6.720   9.480
  390   1HE   LYS  52           HE1      LYS  52  -8.704   5.361   7.438
  391   2HE   LYS  52           HE2      LYS  52  -6.967   4.855   7.369
  392   1HZ   LYS  52           HZ1      LYS  52  -8.383   3.215   8.344
  393   2HZ   LYS  52           HZ2      LYS  52  -7.258   3.792   9.480
  394   3HZ   LYS  52           HZ3      LYS  52  -8.880   4.293   9.558
  395    H    ASN  53           HN       ASN  53  -8.042   7.563   3.124
  396    HA   ASN  53           HA       ASN  53 -10.614   8.903   2.820
  397   1HB   ASN  53           HB1      ASN  53  -8.246   8.643   0.842
  398   2HB   ASN  53           HB2      ASN  53  -9.857   9.300   0.399
  399   1HD2  ASN  53          HD21      ASN  53  -7.696  12.236   0.939
  400   2HD2  ASN  53          HD22      ASN  53  -7.841  10.915  -0.169
  401    H    CYS  54           HN       CYS  54  -8.417   6.223   1.944
  402    HA   CYS  54           HA       CYS  54 -10.525   4.389   1.613
  403   1HB   CYS  54           HB1      CYS  54  -9.892   3.767  -0.840
  404   2HB   CYS  54           HB2      CYS  54 -10.919   5.207  -0.617
  405    HA   PRO  55           HA       PRO  55  -6.578   2.078   1.970
  406   1HB   PRO  55           HB1      PRO  55  -7.529  -0.356   2.614
  407   2HB   PRO  55           HB2      PRO  55  -7.845   1.001   3.672
  408   1HG   PRO  55           HG1      PRO  55  -9.720  -0.169   1.608
  409   2HG   PRO  55           HG2      PRO  55 -10.070   0.231   3.284
  410   1HD   PRO  55           HD1      PRO  55 -10.549   1.934   1.097
  411   2HD   PRO  55           HD2      PRO  55 -10.358   2.497   2.761
  412    H    ALA  56           HN       ALA  56  -7.863   2.675  -0.768
  413    HA   ALA  56           HA       ALA  56  -7.678   0.136  -2.133
  414   1HB   ALA  56           HB1      ALA  56  -9.176   1.064  -3.760
  415   2HB   ALA  56           HB2      ALA  56  -9.927   1.288  -2.133
  416   3HB   ALA  56           HB3      ALA  56  -9.168   2.692  -2.957
  417    H    CYS  57           HN       CYS  57  -7.108   3.695  -2.682
  418    HA   CYS  57           HA       CYS  57  -5.475   3.444  -4.835
  419   1HB   CYS  57           HB1      CYS  57  -5.660   5.491  -2.596
  420   2HB   CYS  57           HB2      CYS  57  -4.541   5.708  -3.932
  421    H    ARG  58           HN       ARG  58  -4.737   3.108  -1.467
  422    HA   ARG  58           HA       ARG  58  -2.021   3.110  -1.538
  423   1HB   ARG  58           HB1      ARG  58  -3.423   1.095   0.322
  424   2HB   ARG  58           HB2      ARG  58  -1.887   1.986   0.573
  425   1HG   ARG  58           HG1      ARG  58  -3.442   4.084   0.642
  426   2HG   ARG  58           HG2      ARG  58  -4.792   2.926   0.774
  427   1HD   ARG  58           HD1      ARG  58  -2.519   3.601   2.739
  428   2HD   ARG  58           HD2      ARG  58  -4.310   3.518   3.026
  429    HE   ARG  58           HE       ARG  58  -2.608   1.076   2.536
  430   1HH1  ARG  58          HH21      ARG  58  -3.764   2.001   6.277
  431   2HH1  ARG  58          HH22      ARG  58  -4.296   3.031   4.991
  432   1HH2  ARG  58          HH11      ARG  58  -2.531   0.072   5.818
  433   2HH2  ARG  58          HH12      ARG  58  -2.137  -0.350   4.185
  434    H    TYR  59           HN       TYR  59  -4.298   0.418  -2.169
  435    HA   TYR  59           HA       TYR  59  -2.378  -1.662  -2.199
  436   1HB   TYR  59           HB1      TYR  59  -4.792  -2.034  -1.672
  437   2HB   TYR  59           HB2      TYR  59  -5.235  -1.551  -3.325
  438    HD1  TYR  59           HD2      TYR  59  -2.755  -4.083  -1.803
  439    HD2  TYR  59           HD1      TYR  59  -5.856  -3.285  -4.685
  440    HE1  TYR  59           HE2      TYR  59  -2.657  -6.453  -2.594
  441    HE2  TYR  59           HE1      TYR  59  -5.730  -5.618  -5.460
  442    HH   TYR  59           HH       TYR  59  -4.709  -7.596  -5.286
  443    H    ARG  60           HN       ARG  60  -3.820   0.548  -4.547
  444    HA   ARG  60           HA       ARG  60  -2.605  -0.616  -6.796
  445   1HB   ARG  60           HB1      ARG  60  -3.880   2.137  -6.524
  446   2HB   ARG  60           HB2      ARG  60  -3.396   1.332  -8.055
  447   1HG   ARG  60           HG1      ARG  60  -4.992  -0.574  -7.542
  448   2HG   ARG  60           HG2      ARG  60  -5.444   0.235  -6.025
  449   1HD   ARG  60           HD1      ARG  60  -7.231   0.851  -7.331
  450   2HD   ARG  60           HD2      ARG  60  -6.174   2.284  -7.585
  451    HE   ARG  60           HE       ARG  60  -6.629  -0.031  -9.460
  452   1HH1  ARG  60          HH21      ARG  60  -4.132   2.898 -10.647
  453   2HH1  ARG  60          HH22      ARG  60  -4.831   3.022  -9.067
  454   1HH2  ARG  60          HH11      ARG  60  -4.731   1.146 -12.074
  455   2HH2  ARG  60          HH12      ARG  60  -5.879  -0.047 -11.564
  456    H    LYS  61           HN       LYS  61  -1.637   1.927  -4.540
  457    HA   LYS  61           HA       LYS  61   0.379   2.962  -6.076
  458   1HB   LYS  61           HB1      LYS  61  -0.908   4.143  -4.327
  459   2HB   LYS  61           HB2      LYS  61   0.020   3.290  -3.065
  460   1HG   LYS  61           HG1      LYS  61   2.056   4.412  -3.694
  461   2HG   LYS  61           HG2      LYS  61   1.421   4.848  -5.310
  462   1HD   LYS  61           HD1      LYS  61   0.368   6.062  -2.681
  463   2HD   LYS  61           HD2      LYS  61   1.649   6.790  -3.700
  464   1HE   LYS  61           HE1      LYS  61   0.010   6.920  -5.640
  465   2HE   LYS  61           HE2      LYS  61  -1.289   6.280  -4.562
  466   1HZ   LYS  61           HZ1      LYS  61  -0.959   8.163  -3.136
  467   2HZ   LYS  61           HZ2      LYS  61   0.268   8.759  -4.149
  468   3HZ   LYS  61           HZ3      LYS  61  -1.324   8.638  -4.726
  469    H    CYS  62           HN       CYS  62   0.500   0.521  -3.540
  470    HA   CYS  62           HA       CYS  62   3.254   0.264  -3.413
  471   1HB   CYS  62           HB1      CYS  62   2.823  -2.097  -2.505
  472   2HB   CYS  62           HB2      CYS  62   2.191  -0.720  -1.577
  473    HG1  CYS  62           HG1      CYS  62   0.620  -2.718  -1.360
  474    H    LEU  63           HN       LEU  63   0.908  -1.353  -5.535
  475    HA   LEU  63           HA       LEU  63   2.721  -3.048  -6.791
  476   1HB   LEU  63           HB1      LEU  63   0.021  -1.902  -7.700
  477   2HB   LEU  63           HB2      LEU  63   0.894  -3.156  -8.633
  478    HG   LEU  63           HG       LEU  63   0.026  -3.518  -5.702
  479   1HD1  LEU  63          HD11      LEU  63  -1.880  -4.850  -6.518
  480   2HD1  LEU  63          HD12      LEU  63  -1.981  -3.163  -7.137
  481   3HD1  LEU  63          HD13      LEU  63  -1.442  -4.491  -8.231
  482   1HD2  LEU  63          HD21      LEU  63   0.347  -5.974  -6.226
  483   2HD2  LEU  63          HD22      LEU  63   1.026  -5.521  -7.829
  484   3HD2  LEU  63          HD23      LEU  63   1.873  -5.026  -6.316
  485    H    GLN  64           HN       GLN  64   1.696   0.275  -7.472
  486    HA   GLN  64           HA       GLN  64   2.933   0.629  -9.890
  487   1HB   GLN  64           HB1      GLN  64   1.132   2.019  -8.547
  488   2HB   GLN  64           HB2      GLN  64   2.505   2.916  -7.888
  489   1HG   GLN  64           HG1      GLN  64   1.863   2.552 -10.906
  490   2HG   GLN  64           HG2      GLN  64   1.279   3.924  -9.917
  491   1HE2  GLN  64          HE21      GLN  64   3.203   5.082  -8.611
  492   2HE2  GLN  64          HE22      GLN  64   4.590   5.474  -9.573
  493    H    ALA  65           HN       ALA  65   4.042   0.913  -6.611
  494    HA   ALA  65           HA       ALA  65   6.453   2.208  -6.969
  495   1HB   ALA  65           HB1      ALA  65   6.950   1.701  -4.676
  496   2HB   ALA  65           HB2      ALA  65   5.174   1.918  -4.761
  497   3HB   ALA  65           HB3      ALA  65   5.862   0.264  -4.670
  498    H    GLY  66           HN       GLY  66   5.555  -1.165  -6.991
  499   1HA   GLY  66           HA1      GLY  66   6.659  -2.476  -8.668
  500   2HA   GLY  66           HA2      GLY  66   8.237  -1.934  -7.987
  501    H    MET  67           HN       MET  67   5.667  -2.517  -5.687
  502    HA   MET  67           HA       MET  67   7.173  -4.454  -4.386
  503   1HB   MET  67           HB1      MET  67   4.299  -3.588  -3.916
  504   2HB   MET  67           HB2      MET  67   5.079  -4.886  -2.959
  505   1HG   MET  67           HG1      MET  67   6.958  -3.334  -2.345
  506   2HG   MET  67           HG2      MET  67   6.092  -2.004  -3.196
  507   1HE   MET  67           HE1      MET  67   5.152  -5.053  -0.717
  508   2HE   MET  67           HE2      MET  67   4.325  -4.162   0.641
  509   3HE   MET  67           HE3      MET  67   6.103  -4.077   0.466
  510    H    ASN  68           HN       ASN  68   6.651  -6.750  -3.895
  511    HA   ASN  68           HA       ASN  68   4.594  -7.980  -5.387
  512   1HB   ASN  68           HB1      ASN  68   6.555  -7.713  -7.165
  513   2HB   ASN  68           HB2      ASN  68   7.413  -8.930  -6.253
  514   1HD2  ASN  68          HD21      ASN  68   3.842 -10.447  -7.756
  515   2HD2  ASN  68          HD22      ASN  68   3.827  -8.984  -6.823
  516    H    LEU  69           HN       LEU  69   3.931  -9.429  -4.127
  517    HA   LEU  69           HA       LEU  69   5.427 -10.209  -1.792
  518   1HB   LEU  69           HB1      LEU  69   3.330  -9.389  -1.309
  519   2HB   LEU  69           HB2      LEU  69   2.522 -10.287  -2.640
  520    HG   LEU  69           HG       LEU  69   1.898 -11.030  -0.382
  521   1HD1  LEU  69          HD11      LEU  69   1.820 -13.337  -0.688
  522   2HD1  LEU  69          HD12      LEU  69   1.911 -12.686  -2.357
  523   3HD1  LEU  69          HD13      LEU  69   3.370 -13.424  -1.580
  524   1HD2  LEU  69          HD21      LEU  69   3.610 -12.435   0.968
  525   2HD2  LEU  69          HD22      LEU  69   4.879 -11.682  -0.036
  526   3HD2  LEU  69          HD23      LEU  69   3.786 -10.642   0.969
  527    H    GLU  70           HN       GLU  70   6.976 -11.356  -2.563
  528    HA   GLU  70           HA       GLU  70   8.044 -13.255  -2.875
  529   1HB   GLU  70           HB1      GLU  70   5.887 -14.282  -4.777
  530   2HB   GLU  70           HB2      GLU  70   7.467 -15.062  -4.438
  531   1HG   GLU  70           HG1      GLU  70   6.854 -15.423  -2.053
  532   2HG   GLU  70           HG2      GLU  70   5.310 -14.546  -2.270
  533    H    ALA  71           HN       ALA  71   8.958 -11.226  -3.486
  534    HA   ALA  71           HA       ALA  71   9.113 -10.570  -6.341
  535   1HB   ALA  71           HB1      ALA  71  10.340  -8.475  -5.494
  536   2HB   ALA  71           HB2      ALA  71   8.692  -8.569  -4.874
  537   3HB   ALA  71           HB3      ALA  71  10.035  -9.066  -3.817
  538    H    ARG  72           HN       ARG  72  11.430  -9.716  -6.900
  539    HA   ARG  72           HA       ARG  72  13.365 -11.822  -6.297
  540   1HB   ARG  72           HB1      ARG  72  12.718 -11.385  -8.683
  541   2HB   ARG  72           HB2      ARG  72  13.277  -9.699  -8.506
  542   1HG   ARG  72           HG1      ARG  72  15.633 -10.518  -8.129
  543   2HG   ARG  72           HG2      ARG  72  15.046 -12.204  -8.143
  544   1HD   ARG  72           HD1      ARG  72  16.087 -11.824 -10.261
  545   2HD   ARG  72           HD2      ARG  72  14.321 -11.873 -10.609
  546    HE   ARG  72           HE       ARG  72  16.095  -9.438 -10.474
  547   1HH1  ARG  72          HH21      ARG  72  12.209  -8.967 -11.453
  548   2HH1  ARG  72          HH22      ARG  72  12.780 -10.574 -11.153
  549   1HH2  ARG  72          HH11      ARG  72  15.366  -7.402 -11.050
  550   2HH2  ARG  72          HH12      ARG  72  13.686  -7.153 -11.393
   
  No H/Q in entry =         550
  Start of MODEL   21
    1   1H    LEU   1           HT1      LEU   1   8.677   7.002   5.198
    2   2H    LEU   1           HT2      LEU   1   9.857   8.201   4.950
    3   3H    LEU   1           HT3      LEU   1   8.841   7.728   3.670
    4    HA   LEU   1           HA       LEU   1  10.964   6.877   3.428
    5   1HB   LEU   1           HB1      LEU   1  11.392   6.883   5.935
    6   2HB   LEU   1           HB2      LEU   1  10.586   5.318   6.042
    7    HG   LEU   1           HG       LEU   1  13.154   5.492   6.030
    8   1HD1  LEU   1          HD11      LEU   1  11.809   3.447   4.194
    9   2HD1  LEU   1          HD12      LEU   1  13.491   3.334   4.835
   10   3HD1  LEU   1          HD13      LEU   1  12.095   3.330   5.965
   11   1HD2  LEU   1          HD21      LEU   1  13.473   7.014   4.119
   12   2HD2  LEU   1          HD22      LEU   1  14.353   5.465   3.874
   13   3HD2  LEU   1          HD23      LEU   1  12.823   5.779   2.981
   14    H    CYS   2           HN       CYS   2   7.852   5.452   4.365
   15    HA   CYS   2           HA       CYS   2   7.766   3.139   2.819
   16   1HB   CYS   2           HB1      CYS   2   6.190   3.554   4.702
   17   2HB   CYS   2           HB2      CYS   2   5.548   5.015   3.813
   18    H    LEU   3           HN       LEU   3   7.055   2.977   0.551
   19    HA   LEU   3           HA       LEU   3   7.176   5.582  -0.707
   20   1HB   LEU   3           HB1      LEU   3   7.898   2.814  -1.665
   21   2HB   LEU   3           HB2      LEU   3   7.944   4.228  -2.783
   22    HG   LEU   3           HG       LEU   3   9.552   4.017  -0.192
   23   1HD1  LEU   3          HD11      LEU   3  11.577   3.647  -1.641
   24   2HD1  LEU   3          HD12      LEU   3  10.371   2.333  -1.850
   25   3HD1  LEU   3          HD13      LEU   3  10.525   3.613  -3.105
   26   1HD2  LEU   3          HD21      LEU   3  10.877   5.959  -1.093
   27   2HD2  LEU   3          HD22      LEU   3   9.713   6.092  -2.463
   28   3HD2  LEU   3          HD23      LEU   3   9.163   6.373  -0.769
   29    H    VAL   4           HN       VAL   4   4.947   4.124   0.369
   30    HA   VAL   4           HA       VAL   4   3.170   3.959  -1.980
   31    HB   VAL   4           HB       VAL   4   2.819   2.494   0.669
   32   1HG1  VAL   4          HG21      VAL   4   1.248   2.127  -1.905
   33   2HG1  VAL   4          HG22      VAL   4   1.068   1.198  -0.371
   34   3HG1  VAL   4          HG23      VAL   4   0.699   2.961  -0.403
   35   1HG2  VAL   4          HG11      VAL   4   4.049   1.500  -1.929
   36   2HG2  VAL   4          HG12      VAL   4   4.790   1.630  -0.303
   37   3HG2  VAL   4          HG13      VAL   4   3.482   0.418  -0.580
   38    H    CYS   5           HN       CYS   5   3.086   4.425   1.537
   39    HA   CYS   5           HA       CYS   5   1.040   6.524   1.105
   40   1HB   CYS   5           HB1      CYS   5   0.030   6.136   3.199
   41   2HB   CYS   5           HB2      CYS   5   0.035   4.651   2.251
   42    H    SER   6           HN       SER   6   4.055   6.425   1.119
   43    HA   SER   6           HA       SER   6   5.781   7.633   1.911
   44   1HB   SER   6           HB1      SER   6   3.952   9.955   1.495
   45   2HB   SER   6           HB2      SER   6   5.705   9.830   1.058
   46    HG   SER   6           HG1      SER   6   4.946   8.206  -0.447
   47    H    ASP   7           HN       ASP   7   5.078   6.619   4.081
   48    HA   ASP   7           HA       ASP   7   4.973   8.676   6.219
   49   1HB   ASP   7           HB1      ASP   7   2.885   7.189   5.821
   50   2HB   ASP   7           HB2      ASP   7   3.881   5.773   6.031
   51    H    GLU   8           HN       GLU   8   6.327   7.979   8.159
   52    HA   GLU   8           HA       GLU   8   8.754   6.966   7.398
   53   1HB   GLU   8           HB1      GLU   8   8.248   6.743  10.323
   54   2HB   GLU   8           HB2      GLU   8   9.600   7.461   9.400
   55   1HG   GLU   8           HG1      GLU   8   8.044   9.456   8.867
   56   2HG   GLU   8           HG2      GLU   8   6.782   8.685   9.891
   57    H    ALA   9           HN       ALA   9   9.233   5.027   6.712
   58    HA   ALA   9           HA       ALA   9   7.716   2.734   7.426
   59   1HB   ALA   9           HB1      ALA   9   9.501   1.642   5.719
   60   2HB   ALA   9           HB2      ALA   9   8.260   2.735   5.067
   61   3HB   ALA   9           HB3      ALA   9   9.921   3.328   5.384
   62    H    SER  10           HN       SER  10   8.871   0.632   7.752
   63    HA   SER  10           HA       SER  10  10.664   0.912  10.014
   64   1HB   SER  10           HB1      SER  10  10.073  -1.523  10.431
   65   2HB   SER  10           HB2      SER  10   8.699  -0.376  10.515
   66    HG   SER  10           HG1      SER  10   8.200  -0.938   8.367
   67    H    GLY  11           HN       GLY  11  10.485  -0.338   6.680
   68   1HA   GLY  11           HA1      GLY  11  13.182  -0.310   6.258
   69   2HA   GLY  11           HA2      GLY  11  12.724  -1.998   6.772
   70    H    CYS  12           HN       CYS  12  12.588  -3.189   4.954
   71    HA   CYS  12           HA       CYS  12  10.724  -2.364   2.866
   72   1HB   CYS  12           HB1      CYS  12  12.250  -3.465   1.142
   73   2HB   CYS  12           HB2      CYS  12  12.846  -1.913   1.757
   74    HG1  CYS  12           HG1      CYS  12  14.859  -3.512   1.340
   75    H    HIS  13           HN       HIS  13   9.610  -4.248   1.919
   76    HA   HIS  13           HA       HIS  13  10.333  -6.815   2.857
   77   1HB   HIS  13           HB1      HIS  13   9.018  -5.652   4.915
   78   2HB   HIS  13           HB2      HIS  13   7.583  -5.989   3.932
   79    HD2  HIS  13           HD2      HIS  13   7.083  -8.819   3.538
   80    HE1  HIS  13           HE1      HIS  13  10.040 -10.079   6.286
   81    HE2  HIS  13           HE2      HIS  13   8.056 -10.810   4.850
   82    H    TYR  14           HN       TYR  14   9.768  -8.119   1.226
   83    HA   TYR  14           HA       TYR  14   8.665  -9.051  -0.355
   84   1HB   TYR  14           HB1      TYR  14   6.617  -6.792  -0.689
   85   2HB   TYR  14           HB2      TYR  14   6.571  -8.297  -1.501
   86    HD1  TYR  14           HD1      TYR  14   7.179 -10.486   0.299
   87    HD2  TYR  14           HD2      TYR  14   4.724  -7.044   0.886
   88    HE1  TYR  14           HE1      TYR  14   6.156 -11.589   2.207
   89    HE2  TYR  14           HE2      TYR  14   3.653  -8.178   2.797
   90    HH   TYR  14           HH       TYR  14   3.567  -9.973   4.113
   91    H    GLY  15           HN       GLY  15   8.059  -6.209  -2.197
   92   1HA   GLY  15           HA1      GLY  15  10.755  -6.525  -3.343
   93   2HA   GLY  15           HA2      GLY  15   9.277  -5.867  -4.102
   94    H    VAL  16           HN       VAL  16   8.942  -4.054  -1.496
   95    HA   VAL  16           HA       VAL  16  11.002  -2.096  -2.307
   96    HB   VAL  16           HB       VAL  16   8.023  -1.522  -2.025
   97   1HG1  VAL  16          HG21      VAL  16  10.281   0.257  -3.051
   98   2HG1  VAL  16          HG22      VAL  16   8.546   0.516  -3.446
   99   3HG1  VAL  16          HG23      VAL  16   9.060   0.575  -1.738
  100   1HG2  VAL  16          HG11      VAL  16   9.553  -1.804  -4.690
  101   2HG2  VAL  16          HG12      VAL  16   8.374  -2.983  -4.020
  102   3HG2  VAL  16          HG13      VAL  16   7.817  -1.343  -4.455
  103    H    LEU  17           HN       LEU  17  11.103  -0.313  -1.028
  104    HA   LEU  17           HA       LEU  17  11.200  -0.596   1.744
  105   1HB   LEU  17           HB1      LEU  17  12.693   0.773   0.115
  106   2HB   LEU  17           HB2      LEU  17  11.381   1.964   0.058
  107    HG   LEU  17           HG       LEU  17  11.613   2.092   2.661
  108   1HD1  LEU  17          HD11      LEU  17  13.774   1.442   3.641
  109   2HD1  LEU  17          HD12      LEU  17  13.057  -0.013   2.870
  110   3HD1  LEU  17          HD13      LEU  17  14.385   0.863   2.048
  111   1HD2  LEU  17          HD21      LEU  17  13.554   3.710   2.447
  112   2HD2  LEU  17          HD22      LEU  17  13.885   3.075   0.801
  113   3HD2  LEU  17          HD23      LEU  17  12.333   3.919   1.135
  114    H    THR  18           HN       THR  18   9.132  -1.013   2.595
  115    HA   THR  18           HA       THR  18   7.088   1.106   2.303
  116    HB   THR  18           HB       THR  18   5.592  -1.153   3.027
  117    HG1  THR  18           HG1      THR  18   7.478  -2.399   3.203
  118   1HG2  THR  18          HG21      THR  18   5.087  -1.762   0.726
  119   2HG2  THR  18          HG22      THR  18   5.109   0.022   1.014
  120   3HG2  THR  18          HG23      THR  18   6.488  -0.772   0.131
  121    H    CYS  19           HN       CYS  19   5.484   0.933   4.125
  122    HA   CYS  19           HA       CYS  19   7.010   1.164   6.502
  123   1HB   CYS  19           HB1      CYS  19   5.119   1.950   7.738
  124   2HB   CYS  19           HB2      CYS  19   5.439   2.873   6.338
  125    H    GLY  20           HN       GLY  20   5.158   0.259   8.510
  126   1HA   GLY  20           HA1      GLY  20   5.771  -2.551   8.587
  127   2HA   GLY  20           HA2      GLY  20   4.882  -1.540   9.789
  128    H    SER  21           HN       SER  21   2.866  -0.500   8.346
  129    HA   SER  21           HA       SER  21   1.012  -2.597   8.219
  130   1HB   SER  21           HB1      SER  21   0.674   0.330   7.323
  131   2HB   SER  21           HB2      SER  21  -0.661  -0.834   7.658
  132    HG   SER  21           HG1      SER  21  -0.202   0.525   9.389
  133    H    CYS  22           HN       CYS  22   2.682  -0.824   5.530
  134    HA   CYS  22           HA       CYS  22   0.914  -1.659   3.563
  135   1HB   CYS  22           HB1      CYS  22   3.641  -0.424   3.333
  136   2HB   CYS  22           HB2      CYS  22   2.765  -1.007   1.886
  137    H    LYS  23           HN       LYS  23   3.469  -3.285   5.062
  138    HA   LYS  23           HA       LYS  23   4.007  -5.260   3.217
  139   1HB   LYS  23           HB1      LYS  23   5.454  -4.806   5.175
  140   2HB   LYS  23           HB2      LYS  23   4.138  -5.282   6.273
  141   1HG   LYS  23           HG1      LYS  23   4.288  -7.670   5.285
  142   2HG   LYS  23           HG2      LYS  23   5.699  -7.112   4.345
  143   1HD   LYS  23           HD1      LYS  23   6.460  -8.289   6.338
  144   2HD   LYS  23           HD2      LYS  23   6.884  -6.556   6.518
  145   1HE   LYS  23           HE1      LYS  23   4.931  -6.233   8.082
  146   2HE   LYS  23           HE2      LYS  23   4.429  -7.950   7.819
  147   1HZ   LYS  23           HZ1      LYS  23   6.520  -8.638   8.739
  148   2HZ   LYS  23           HZ2      LYS  23   6.979  -7.023   8.996
  149   3HZ   LYS  23           HZ3      LYS  23   5.643  -7.668   9.822
  150    H    VAL  24           HN       VAL  24   2.089  -5.417   6.142
  151    HA   VAL  24           HA       VAL  24   0.805  -7.801   5.744
  152    HB   VAL  24           HB       VAL  24  -0.189  -5.413   7.435
  153   1HG1  VAL  24          HG21      VAL  24  -0.523  -8.429   7.989
  154   2HG1  VAL  24          HG22      VAL  24  -1.067  -7.063   9.048
  155   3HG1  VAL  24          HG23      VAL  24  -1.807  -7.296   7.424
  156   1HG2  VAL  24          HG11      VAL  24   2.003  -7.417   8.229
  157   2HG2  VAL  24          HG12      VAL  24   2.174  -5.638   7.957
  158   3HG2  VAL  24          HG13      VAL  24   1.205  -6.233   9.333
  159    H    PHE  25           HN       PHE  25  -0.161  -4.622   4.877
  160    HA   PHE  25           HA       PHE  25  -2.803  -4.852   4.188
  161   1HB   PHE  25           HB1      PHE  25  -1.600  -2.700   4.387
  162   2HB   PHE  25           HB2      PHE  25  -0.435  -3.190   3.150
  163    HD1  PHE  25           HD1      PHE  25  -4.281  -3.008   3.232
  164    HD2  PHE  25           HD2      PHE  25  -0.571  -2.033   1.269
  165    HE1  PHE  25           HE1      PHE  25  -5.525  -2.104   1.292
  166    HE2  PHE  25           HE2      PHE  25  -1.791  -1.176  -0.638
  167    HZ   PHE  25           HZ       PHE  25  -4.287  -1.196  -0.663
  168    H    PHE  26           HN       PHE  26   0.069  -4.946   2.203
  169    HA   PHE  26           HA       PHE  26  -1.024  -5.671  -0.207
  170   1HB   PHE  26           HB1      PHE  26   1.120  -4.478   0.026
  171   2HB   PHE  26           HB2      PHE  26   1.856  -5.899   0.823
  172    HD1  PHE  26           HD1      PHE  26   0.095  -4.972  -2.422
  173    HD2  PHE  26           HD2      PHE  26   3.081  -7.360  -0.476
  174    HE1  PHE  26           HE1      PHE  26   0.949  -5.703  -4.626
  175    HE2  PHE  26           HE2      PHE  26   3.948  -8.066  -2.654
  176    HZ   PHE  26           HZ       PHE  26   2.877  -7.295  -4.737
  177    H    LYS  27           HN       LYS  27   0.447  -7.660   2.252
  178    HA   LYS  27           HA       LYS  27   0.336 -10.112   0.900
  179   1HB   LYS  27           HB1      LYS  27   1.935  -9.975   2.586
  180   2HB   LYS  27           HB2      LYS  27   0.760  -9.394   3.810
  181   1HG   LYS  27           HG1      LYS  27   1.471 -11.677   4.334
  182   2HG   LYS  27           HG2      LYS  27  -0.259 -11.642   3.954
  183   1HD   LYS  27           HD1      LYS  27   0.206 -13.506   2.747
  184   2HD   LYS  27           HD2      LYS  27   0.627 -12.341   1.472
  185   1HE   LYS  27           HE1      LYS  27   2.393 -14.021   1.578
  186   2HE   LYS  27           HE2      LYS  27   3.089 -12.499   2.266
  187   1HZ   LYS  27           HZ1      LYS  27   1.991 -14.777   3.801
  188   2HZ   LYS  27           HZ2      LYS  27   3.632 -14.435   3.535
  189   3HZ   LYS  27           HZ3      LYS  27   2.678 -13.364   4.444
  190    H    ARG  28           HN       ARG  28  -2.159  -8.382   2.694
  191    HA   ARG  28           HA       ARG  28  -3.956 -10.641   2.647
  192   1HB   ARG  28           HB1      ARG  28  -3.794  -8.245   4.189
  193   2HB   ARG  28           HB2      ARG  28  -5.238  -8.012   3.201
  194   1HG   ARG  28           HG1      ARG  28  -6.104  -9.069   5.107
  195   2HG   ARG  28           HG2      ARG  28  -5.956 -10.417   3.953
  196   1HD   ARG  28           HD1      ARG  28  -5.086 -11.286   6.047
  197   2HD   ARG  28           HD2      ARG  28  -3.629 -10.939   5.046
  198    HE   ARG  28           HE       ARG  28  -3.252  -8.915   6.322
  199   1HH1  ARG  28          HH21      ARG  28  -6.468  -9.214   8.732
  200   2HH1  ARG  28          HH22      ARG  28  -6.238 -10.437   7.526
  201   1HH2  ARG  28          HH11      ARG  28  -4.880  -7.527   9.026
  202   2HH2  ARG  28          HH12      ARG  28  -3.454  -7.481   8.044
  203    H    ALA  29           HN       ALA  29  -3.464  -7.597   1.036
  204    HA   ALA  29           HA       ALA  29  -5.707  -7.512  -0.588
  205   1HB   ALA  29           HB1      ALA  29  -4.455  -5.630  -1.744
  206   2HB   ALA  29           HB2      ALA  29  -4.368  -5.507   0.042
  207   3HB   ALA  29           HB3      ALA  29  -2.962  -6.163  -0.866
  208    H    VAL  30           HN       VAL  30  -2.897  -9.392  -0.954
  209    HA   VAL  30           HA       VAL  30  -3.223  -9.685  -3.860
  210    HB   VAL  30           HB       VAL  30  -0.855 -10.298  -2.042
  211   1HG1  VAL  30          HG21      VAL  30  -1.037 -10.585  -5.101
  212   2HG1  VAL  30          HG22      VAL  30   0.410 -10.922  -4.058
  213   3HG1  VAL  30          HG23      VAL  30  -1.065 -11.959  -3.932
  214   1HG2  VAL  30          HG11      VAL  30  -0.830  -8.274  -4.353
  215   2HG2  VAL  30          HG12      VAL  30  -1.245  -7.793  -2.679
  216   3HG2  VAL  30          HG13      VAL  30   0.355  -8.522  -3.011
  217    H    GLU  31           HN       GLU  31  -1.974 -11.720  -1.272
  218    HA   GLU  31           HA       GLU  31  -3.452 -14.018  -2.327
  219   1HB   GLU  31           HB1      GLU  31  -1.115 -13.955  -0.350
  220   2HB   GLU  31           HB2      GLU  31  -1.943 -15.425  -0.974
  221   1HG   GLU  31           HG1      GLU  31  -1.286 -14.648  -3.359
  222   2HG   GLU  31           HG2      GLU  31  -0.245 -13.408  -2.582
  223    H    GLY  32           HN       GLY  32  -5.223 -12.498  -1.269
  224   1HA   GLY  32           HA1      GLY  32  -6.268 -14.117   0.832
  225   2HA   GLY  32           HA2      GLY  32  -5.704 -12.496   1.431
  226    H    GLN  33           HN       GLN  33  -7.719 -11.709   1.958
  227    HA   GLN  33           HA       GLN  33  -9.637 -11.304  -0.226
  228   1HB   GLN  33           HB1      GLN  33 -11.323 -10.828   1.466
  229   2HB   GLN  33           HB2      GLN  33 -10.633 -12.443   1.676
  230   1HG   GLN  33           HG1      GLN  33 -10.392 -12.018   3.857
  231   2HG   GLN  33           HG2      GLN  33  -9.007 -10.969   3.461
  232   1HE2  GLN  33          HE21      GLN  33  -9.376  -8.608   3.414
  233   2HE2  GLN  33          HE22      GLN  33 -10.764  -7.898   4.170
  234    H    HIS  34           HN       HIS  34 -10.021  -9.206  -0.872
  235    HA   HIS  34           HA       HIS  34  -8.201  -7.192   0.255
  236   1HB   HIS  34           HB1      HIS  34  -9.197  -6.664  -2.496
  237   2HB   HIS  34           HB2      HIS  34  -7.578  -6.540  -1.774
  238    HD2  HIS  34           HD2      HIS  34  -6.926  -9.823  -1.274
  239    HE1  HIS  34           HE1      HIS  34  -7.868 -10.051  -5.382
  240    HE2  HIS  34           HE2      HIS  34  -6.745 -11.211  -3.402
  241    H    ASN  35           HN       ASN  35 -10.573  -5.971  -1.899
  242    HA   ASN  35           HA       ASN  35 -12.408  -4.931  -1.792
  243   1HB   ASN  35           HB1      ASN  35 -13.327  -6.729  -0.226
  244   2HB   ASN  35           HB2      ASN  35 -12.949  -5.664   1.153
  245   1HD2  ASN  35          HD21      ASN  35 -15.867  -3.656   0.731
  246   2HD2  ASN  35          HD22      ASN  35 -14.478  -4.062   1.682
  247    H    TYR  36           HN       TYR  36 -11.681  -2.872  -2.187
  248    HA   TYR  36           HA       TYR  36 -11.427  -1.094   0.080
  249   1HB   TYR  36           HB1      TYR  36  -9.380  -0.091  -1.429
  250   2HB   TYR  36           HB2      TYR  36  -9.163  -1.176  -0.060
  251    HD1  TYR  36           HD2      TYR  36  -9.872  -1.671  -3.769
  252    HD2  TYR  36           HD1      TYR  36  -7.626  -2.834  -0.283
  253    HE1  TYR  36           HE2      TYR  36  -8.714  -3.404  -5.084
  254    HE2  TYR  36           HE1      TYR  36  -6.446  -4.528  -1.606
  255    HH   TYR  36           HH       TYR  36  -7.227  -5.091  -5.071
  256    H    LEU  37           HN       LEU  37 -11.385   1.295  -1.056
  257    HA   LEU  37           HA       LEU  37 -13.529   1.125  -3.071
  258   1HB   LEU  37           HB1      LEU  37 -13.232   3.263  -0.926
  259   2HB   LEU  37           HB2      LEU  37 -14.528   3.080  -2.151
  260    HG   LEU  37           HG       LEU  37 -14.844   0.677  -1.001
  261   1HD1  LEU  37          HD11      LEU  37 -14.522   0.759   1.476
  262   2HD1  LEU  37          HD12      LEU  37 -12.939   0.850   0.639
  263   3HD1  LEU  37          HD13      LEU  37 -13.671   2.340   1.330
  264   1HD2  LEU  37          HD21      LEU  37 -16.601   1.670   0.463
  265   2HD2  LEU  37          HD22      LEU  37 -15.887   3.308   0.221
  266   3HD2  LEU  37          HD23      LEU  37 -16.590   2.411  -1.177
  267    H    CYS  38           HN       CYS  38 -11.943   1.255  -4.751
  268    HA   CYS  38           HA       CYS  38 -12.213   3.513  -6.162
  269   1HB   CYS  38           HB1      CYS  38  -9.260   3.348  -5.232
  270   2HB   CYS  38           HB2      CYS  38  -9.725   3.905  -6.844
  271    H    ALA  39           HN       ALA  39 -13.139   1.800  -7.172
  272    HA   ALA  39           HA       ALA  39 -11.524  -0.394  -8.088
  273   1HB   ALA  39           HB1      ALA  39 -13.708  -1.393  -8.815
  274   2HB   ALA  39           HB2      ALA  39 -13.734  -0.934  -7.083
  275   3HB   ALA  39           HB3      ALA  39 -14.548   0.121  -8.292
  276    H    GLY  40           HN       GLY  40 -12.797   2.630  -9.098
  277   1HA   GLY  40           HA1      GLY  40 -11.505   2.618 -11.564
  278   2HA   GLY  40           HA2      GLY  40 -13.274   2.254 -11.788
  279    H    ARG  41           HN       ARG  41 -11.478   4.371  -9.409
  280    HA   ARG  41           HA       ARG  41 -12.921   6.689 -10.455
  281   1HB   ARG  41           HB1      ARG  41 -12.286   5.879  -7.559
  282   2HB   ARG  41           HB2      ARG  41 -12.733   7.549  -8.043
  283   1HG   ARG  41           HG1      ARG  41 -14.616   5.187  -8.639
  284   2HG   ARG  41           HG2      ARG  41 -14.495   5.882  -7.003
  285   1HD   ARG  41           HD1      ARG  41 -16.380   6.950  -8.131
  286   2HD   ARG  41           HD2      ARG  41 -15.065   8.175  -7.899
  287    HE   ARG  41           HE       ARG  41 -14.397   7.604 -10.292
  288   1HH1  ARG  41          HH21      ARG  41 -18.074   9.219 -10.468
  289   2HH1  ARG  41          HH22      ARG  41 -17.716   8.182  -9.127
  290   1HH2  ARG  41          HH11      ARG  41 -16.502   9.541 -12.174
  291   2HH2  ARG  41          HH12      ARG  41 -14.966   8.742 -12.108
  292    H    ASN  42           HN       ASN  42 -10.534   6.117  -8.020
  293    HA   ASN  42           HA       ASN  42  -8.461   6.545  -7.662
  294   1HB   ASN  42           HB1      ASN  42  -7.930   5.199  -9.705
  295   2HB   ASN  42           HB2      ASN  42  -7.987   6.668 -10.700
  296   1HD2  ASN  42          HD21      ASN  42  -4.642   5.717  -8.488
  297   2HD2  ASN  42          HD22      ASN  42  -6.116   4.797  -8.419
  298    H    ASP  43           HN       ASP  43  -9.476   8.339  -6.672
  299    HA   ASP  43           HA       ASP  43  -9.045  10.951  -8.002
  300   1HB   ASP  43           HB1      ASP  43 -10.537  11.845  -6.044
  301   2HB   ASP  43           HB2      ASP  43 -11.290  11.094  -7.498
  302    H    CYS  44           HN       CYS  44  -9.168   9.503  -4.679
  303    HA   CYS  44           HA       CYS  44  -7.964  11.499  -3.544
  304   1HB   CYS  44           HB1      CYS  44  -7.496   9.272  -1.767
  305   2HB   CYS  44           HB2      CYS  44  -8.873  10.381  -1.817
  306    H    ILE  45           HN       ILE  45  -5.873  11.667  -2.368
  307    HA   ILE  45           HA       ILE  45  -3.600  10.405  -3.736
  308    HB   ILE  45           HB       ILE  45  -3.740  12.729  -1.719
  309   1HG1  ILE  45          HG11      ILE  45  -4.749  13.454  -3.797
  310   2HG1  ILE  45          HG12      ILE  45  -3.183  14.259  -3.546
  311   1HG2  ILE  45          HG21      ILE  45  -1.341  13.210  -2.331
  312   2HG2  ILE  45          HG22      ILE  45  -1.544  11.652  -1.468
  313   3HG2  ILE  45          HG23      ILE  45  -1.285  11.660  -3.250
  314   1HD1  ILE  45           HD1      ILE  45  -3.469  13.632  -5.928
  315   2HD1  ILE  45           HD2      ILE  45  -2.105  12.692  -5.221
  316   3HD1  ILE  45           HD3      ILE  45  -3.707  11.904  -5.488
  317    H    ILE  46           HN       ILE  46  -2.087   9.207  -2.379
  318    HA   ILE  46           HA       ILE  46  -3.109   8.520   0.293
  319    HB   ILE  46           HB       ILE  46  -2.799   6.801  -2.036
  320   1HG1  ILE  46          HG11      ILE  46  -4.059   5.190  -0.770
  321   2HG1  ILE  46          HG12      ILE  46  -3.720   6.008   0.790
  322   1HG2  ILE  46          HG21      ILE  46  -1.742   4.864  -1.122
  323   2HG2  ILE  46          HG22      ILE  46  -0.532   6.178  -1.233
  324   3HG2  ILE  46          HG23      ILE  46  -1.214   5.706   0.379
  325   1HD1  ILE  46           HD1      ILE  46  -6.033   6.278  -0.338
  326   2HD1  ILE  46           HD2      ILE  46  -5.240   7.772   0.312
  327   3HD1  ILE  46           HD3      ILE  46  -5.227   7.406  -1.480
  328    H    ASP  47           HN       ASP  47  -1.874   9.313   1.689
  329    HA   ASP  47           HA       ASP  47   0.919   8.913   1.550
  330   1HB   ASP  47           HB1      ASP  47   1.749  11.078   1.968
  331   2HB   ASP  47           HB2      ASP  47   0.947  11.059   0.386
  332    H    LYS  48           HN       LYS  48   1.524  10.275   3.889
  333    HA   LYS  48           HA       LYS  48   0.520   8.525   5.742
  334   1HB   LYS  48           HB1      LYS  48   1.827   9.996   7.429
  335   2HB   LYS  48           HB2      LYS  48   2.698   9.219   6.087
  336   1HG   LYS  48           HG1      LYS  48   2.852  11.218   4.797
  337   2HG   LYS  48           HG2      LYS  48   1.797  12.134   5.931
  338   1HD   LYS  48           HD1      LYS  48   3.498  11.869   7.740
  339   2HD   LYS  48           HD2      LYS  48   4.545  10.909   6.656
  340   1HE   LYS  48           HE1      LYS  48   3.747  13.870   6.168
  341   2HE   LYS  48           HE2      LYS  48   5.298  13.314   6.903
  342   1HZ   LYS  48           HZ1      LYS  48   5.529  13.797   4.606
  343   2HZ   LYS  48           HZ2      LYS  48   5.784  12.141   4.887
  344   3HZ   LYS  48           HZ3      LYS  48   4.331  12.669   4.183
  345    H    ILE  49           HN       ILE  49  -0.997  11.347   4.746
  346    HA   ILE  49           HA       ILE  49  -2.427  11.758   7.268
  347    HB   ILE  49           HB       ILE  49  -2.156  13.421   4.722
  348   1HG1  ILE  49          HG11      ILE  49  -0.109  13.533   6.010
  349   2HG1  ILE  49          HG12      ILE  49  -0.974  15.088   6.078
  350   1HG2  ILE  49          HG21      ILE  49  -3.445  15.228   5.858
  351   2HG2  ILE  49          HG22      ILE  49  -4.398  13.720   5.582
  352   3HG2  ILE  49          HG23      ILE  49  -3.796  14.102   7.237
  353   1HD1  ILE  49           HD1      ILE  49  -0.012  14.565   8.290
  354   2HD1  ILE  49           HD2      ILE  49  -1.807  14.507   8.412
  355   3HD1  ILE  49           HD3      ILE  49  -0.853  12.978   8.343
  356    H    ARG  50           HN       ARG  50  -2.931  11.429   3.817
  357    HA   ARG  50           HA       ARG  50  -5.732  11.180   3.879
  358   1HB   ARG  50           HB1      ARG  50  -3.651  10.546   1.729
  359   2HB   ARG  50           HB2      ARG  50  -5.422  10.396   1.449
  360   1HG   ARG  50           HG1      ARG  50  -4.023  13.024   2.212
  361   2HG   ARG  50           HG2      ARG  50  -4.373  12.483   0.562
  362   1HD   ARG  50           HD1      ARG  50  -6.330  13.737   0.819
  363   2HD   ARG  50           HD2      ARG  50  -6.873  12.141   1.438
  364    HE   ARG  50           HE       ARG  50  -7.608  13.682   3.032
  365   1HH1  ARG  50          HH21      ARG  50  -4.415  15.989   3.577
  366   2HH1  ARG  50          HH22      ARG  50  -4.320  14.754   2.364
  367   1HH2  ARG  50          HH11      ARG  50  -6.249  16.115   5.001
  368   2HH2  ARG  50          HH12      ARG  50  -7.547  14.976   4.871
  369    H    ARG  51           HN       ARG  51  -3.274   8.989   4.466
  370    HA   ARG  51           HA       ARG  51  -4.406   6.525   3.761
  371   1HB   ARG  51           HB1      ARG  51  -2.075   6.548   3.987
  372   2HB   ARG  51           HB2      ARG  51  -2.127   7.449   5.524
  373   1HG   ARG  51           HG1      ARG  51  -3.313   4.740   5.848
  374   2HG   ARG  51           HG2      ARG  51  -1.696   4.646   5.115
  375   1HD   ARG  51           HD1      ARG  51  -0.612   5.752   6.984
  376   2HD   ARG  51           HD2      ARG  51  -2.168   6.419   7.589
  377    HE   ARG  51           HE       ARG  51  -2.845   4.263   8.347
  378   1HH1  ARG  51          HH21      ARG  51   0.438   2.203   7.253
  379   2HH1  ARG  51          HH22      ARG  51   0.339   3.871   6.797
  380   1HH2  ARG  51          HH11      ARG  51  -1.219   1.238   8.590
  381   2HH2  ARG  51          HH12      ARG  51  -2.563   2.183   9.138
  382    H    LYS  52           HN       LYS  52  -6.628   6.640   4.496
  383    HA   LYS  52           HA       LYS  52  -7.332   5.412   6.748
  384   1HB   LYS  52           HB1      LYS  52  -8.402   7.178   8.216
  385   2HB   LYS  52           HB2      LYS  52  -6.636   7.233   8.265
  386   1HG   LYS  52           HG1      LYS  52  -6.711   9.150   6.528
  387   2HG   LYS  52           HG2      LYS  52  -8.490   9.134   6.705
  388   1HD   LYS  52           HD1      LYS  52  -8.167   9.552   9.221
  389   2HD   LYS  52           HD2      LYS  52  -6.413   9.705   8.907
  390   1HE   LYS  52           HE1      LYS  52  -7.384  11.959   9.031
  391   2HE   LYS  52           HE2      LYS  52  -6.907  11.659   7.318
  392   1HZ   LYS  52           HZ1      LYS  52  -9.622  11.434   8.470
  393   2HZ   LYS  52           HZ2      LYS  52  -9.028  12.669   7.468
  394   3HZ   LYS  52           HZ3      LYS  52  -9.197  11.091   6.862
  395    H    ASN  53           HN       ASN  53  -7.845   7.638   4.193
  396    HA   ASN  53           HA       ASN  53 -10.708   7.546   4.287
  397   1HB   ASN  53           HB1      ASN  53  -8.882   8.974   2.232
  398   2HB   ASN  53           HB2      ASN  53 -10.648   9.137   2.360
  399   1HD2  ASN  53          HD21      ASN  53  -8.364  11.604   4.571
  400   2HD2  ASN  53          HD22      ASN  53  -7.818  10.695   3.204
  401    H    CYS  54           HN       CYS  54  -8.013   6.007   2.559
  402    HA   CYS  54           HA       CYS  54  -9.891   4.323   1.161
  403   1HB   CYS  54           HB1      CYS  54  -9.930   6.256  -0.292
  404   2HB   CYS  54           HB2      CYS  54  -8.162   6.403  -0.275
  405    HA   PRO  55           HA       PRO  55  -5.934   2.072   1.221
  406   1HB   PRO  55           HB1      PRO  55  -6.839  -0.322   2.073
  407   2HB   PRO  55           HB2      PRO  55  -6.842   1.058   3.138
  408   1HG   PRO  55           HG1      PRO  55  -9.196  -0.105   1.676
  409   2HG   PRO  55           HG2      PRO  55  -9.109   0.512   3.311
  410   1HD   PRO  55           HD1      PRO  55  -9.947   1.963   0.995
  411   2HD   PRO  55           HD2      PRO  55  -9.583   2.658   2.583
  412    H    ALA  56           HN       ALA  56  -7.793   2.596  -1.300
  413    HA   ALA  56           HA       ALA  56  -7.485   0.081  -2.722
  414   1HB   ALA  56           HB1      ALA  56  -8.857   1.155  -4.514
  415   2HB   ALA  56           HB2      ALA  56  -9.744   1.061  -2.971
  416   3HB   ALA  56           HB3      ALA  56  -9.036   2.601  -3.445
  417    H    CYS  57           HN       CYS  57  -6.872   3.639  -2.859
  418    HA   CYS  57           HA       CYS  57  -5.169   3.767  -4.976
  419   1HB   CYS  57           HB1      CYS  57  -5.553   5.426  -2.464
  420   2HB   CYS  57           HB2      CYS  57  -4.391   5.915  -3.700
  421    H    ARG  58           HN       ARG  58  -4.560   3.067  -1.636
  422    HA   ARG  58           HA       ARG  58  -1.830   3.044  -1.578
  423   1HB   ARG  58           HB1      ARG  58  -3.742   1.253   0.026
  424   2HB   ARG  58           HB2      ARG  58  -1.979   1.373   0.327
  425   1HG   ARG  58           HG1      ARG  58  -2.760   4.037   0.358
  426   2HG   ARG  58           HG2      ARG  58  -4.171   3.263   1.089
  427   1HD   ARG  58           HD1      ARG  58  -1.199   3.059   1.952
  428   2HD   ARG  58           HD2      ARG  58  -2.479   4.002   2.816
  429    HE   ARG  58           HE       ARG  58  -2.229   1.045   2.528
  430   1HH1  ARG  58          HH21      ARG  58  -5.417   2.523   4.508
  431   2HH1  ARG  58          HH22      ARG  58  -4.302   3.639   3.791
  432   1HH2  ARG  58          HH11      ARG  58  -4.974   0.222   4.477
  433   2HH2  ARG  58          HH12      ARG  58  -3.530  -0.382   3.734
  434    H    TYR  59           HN       TYR  59  -4.086   0.587  -2.832
  435    HA   TYR  59           HA       TYR  59  -2.155  -1.498  -2.968
  436   1HB   TYR  59           HB1      TYR  59  -4.615  -1.950  -2.703
  437   2HB   TYR  59           HB2      TYR  59  -4.893  -1.294  -4.338
  438    HD1  TYR  59           HD2      TYR  59  -2.667  -3.893  -2.656
  439    HD2  TYR  59           HD1      TYR  59  -4.978  -2.794  -6.118
  440    HE1  TYR  59           HE2      TYR  59  -2.226  -6.120  -3.666
  441    HE2  TYR  59           HE1      TYR  59  -4.551  -5.011  -7.103
  442    HH   TYR  59           HH       TYR  59  -3.568  -7.013  -6.861
  443    H    ARG  60           HN       ARG  60  -3.468   1.053  -5.083
  444    HA   ARG  60           HA       ARG  60  -2.201   0.280  -7.441
  445   1HB   ARG  60           HB1      ARG  60  -3.063   3.103  -6.606
  446   2HB   ARG  60           HB2      ARG  60  -2.674   2.596  -8.268
  447   1HG   ARG  60           HG1      ARG  60  -5.005   1.361  -6.656
  448   2HG   ARG  60           HG2      ARG  60  -5.140   2.870  -7.588
  449   1HD   ARG  60           HD1      ARG  60  -6.000   1.090  -8.990
  450   2HD   ARG  60           HD2      ARG  60  -4.424   1.641  -9.693
  451    HE   ARG  60           HE       ARG  60  -4.642  -0.759  -7.878
  452   1HH1  ARG  60          HH21      ARG  60  -4.307  -1.281 -11.857
  453   2HH1  ARG  60          HH22      ARG  60  -4.414   0.338 -11.251
  454   1HH2  ARG  60          HH11      ARG  60  -4.201  -3.094 -10.374
  455   2HH2  ARG  60          HH12      ARG  60  -4.228  -2.827  -8.661
  456    H    LYS  61           HN       LYS  61  -1.269   2.398  -4.815
  457    HA   LYS  61           HA       LYS  61   1.020   3.450  -5.971
  458   1HB   LYS  61           HB1      LYS  61  -0.308   3.607  -3.300
  459   2HB   LYS  61           HB2      LYS  61   1.454   3.751  -3.201
  460   1HG   LYS  61           HG1      LYS  61   0.944   5.910  -3.352
  461   2HG   LYS  61           HG2      LYS  61   1.317   5.558  -5.058
  462   1HD   LYS  61           HD1      LYS  61  -1.543   5.637  -3.866
  463   2HD   LYS  61           HD2      LYS  61  -0.713   7.075  -4.517
  464   1HE   LYS  61           HE1      LYS  61  -0.596   6.094  -6.792
  465   2HE   LYS  61           HE2      LYS  61  -1.342   4.561  -6.213
  466   1HZ   LYS  61           HZ1      LYS  61  -3.285   5.772  -5.600
  467   2HZ   LYS  61           HZ2      LYS  61  -2.589   7.233  -6.114
  468   3HZ   LYS  61           HZ3      LYS  61  -2.912   6.004  -7.241
  469    H    CYS  62           HN       CYS  62   0.668   0.772  -3.734
  470    HA   CYS  62           HA       CYS  62   3.379   0.306  -3.411
  471   1HB   CYS  62           HB1      CYS  62   2.869  -1.787  -2.318
  472   2HB   CYS  62           HB2      CYS  62   1.829  -0.478  -1.742
  473    HG1  CYS  62           HG1      CYS  62   0.539  -2.720  -1.726
  474    H    LEU  63           HN       LEU  63   1.110  -1.023  -5.779
  475    HA   LEU  63           HA       LEU  63   2.890  -2.767  -7.008
  476   1HB   LEU  63           HB1      LEU  63   0.369  -1.363  -8.043
  477   2HB   LEU  63           HB2      LEU  63   1.250  -2.581  -9.015
  478    HG   LEU  63           HG       LEU  63   0.078  -3.154  -6.231
  479   1HD1  LEU  63          HD11      LEU  63  -1.765  -4.330  -7.429
  480   2HD1  LEU  63          HD12      LEU  63  -1.751  -2.568  -7.805
  481   3HD1  LEU  63          HD13      LEU  63  -1.125  -3.755  -9.010
  482   1HD2  LEU  63          HD21      LEU  63   0.335  -5.556  -6.901
  483   2HD2  LEU  63          HD22      LEU  63   1.172  -5.042  -8.411
  484   3HD2  LEU  63          HD23      LEU  63   1.914  -4.704  -6.802
  485    H    GLN  64           HN       GLN  64   2.136   0.695  -7.593
  486    HA   GLN  64           HA       GLN  64   3.669   1.023  -9.870
  487   1HB   GLN  64           HB1      GLN  64   2.610   2.965  -7.781
  488   2HB   GLN  64           HB2      GLN  64   3.621   3.545  -9.140
  489   1HG   GLN  64           HG1      GLN  64   2.031   2.760 -10.822
  490   2HG   GLN  64           HG2      GLN  64   1.027   1.934  -9.602
  491   1HE2  GLN  64          HE21      GLN  64   2.317   5.218 -10.500
  492   2HE2  GLN  64          HE22      GLN  64   0.941   6.114  -9.947
  493    H    ALA  65           HN       ALA  65   4.420   1.158  -6.492
  494    HA   ALA  65           HA       ALA  65   6.965   2.246  -6.595
  495   1HB   ALA  65           HB1      ALA  65   7.178   1.736  -4.285
  496   2HB   ALA  65           HB2      ALA  65   5.435   2.019  -4.529
  497   3HB   ALA  65           HB3      ALA  65   6.039   0.334  -4.390
  498    H    GLY  66           HN       GLY  66   5.772  -1.006  -6.900
  499   1HA   GLY  66           HA1      GLY  66   6.820  -2.432  -8.417
  500   2HA   GLY  66           HA2      GLY  66   8.429  -1.971  -7.757
  501    H    MET  67           HN       MET  67   5.695  -2.505  -5.589
  502    HA   MET  67           HA       MET  67   7.049  -4.417  -4.092
  503   1HB   MET  67           HB1      MET  67   4.165  -3.490  -4.076
  504   2HB   MET  67           HB2      MET  67   4.667  -4.827  -3.021
  505   1HG   MET  67           HG1      MET  67   6.159  -2.140  -2.992
  506   2HG   MET  67           HG2      MET  67   4.691  -2.391  -2.040
  507   1HE   MET  67           HE1      MET  67   4.227  -3.948  -0.177
  508   2HE   MET  67           HE2      MET  67   5.437  -4.854   0.772
  509   3HE   MET  67           HE3      MET  67   4.865  -5.543  -0.788
  510    H    ASN  68           HN       ASN  68   6.708  -6.749  -3.789
  511    HA   ASN  68           HA       ASN  68   4.859  -8.072  -5.470
  512   1HB   ASN  68           HB1      ASN  68   7.010  -7.427  -7.041
  513   2HB   ASN  68           HB2      ASN  68   7.773  -8.777  -6.220
  514   1HD2  ASN  68          HD21      ASN  68   4.478 -10.373  -8.077
  515   2HD2  ASN  68          HD22      ASN  68   4.321  -9.361  -6.681
  516    H    LEU  69           HN       LEU  69   4.452  -9.930  -4.516
  517    HA   LEU  69           HA       LEU  69   5.907 -10.522  -2.099
  518   1HB   LEU  69           HB1      LEU  69   3.734 -10.047  -1.608
  519   2HB   LEU  69           HB2      LEU  69   3.108 -10.793  -3.115
  520    HG   LEU  69           HG       LEU  69   3.375 -13.064  -2.139
  521   1HD1  LEU  69          HD11      LEU  69   3.975 -13.448   0.184
  522   2HD1  LEU  69          HD12      LEU  69   5.295 -12.443  -0.499
  523   3HD1  LEU  69          HD13      LEU  69   4.026 -11.675   0.519
  524   1HD2  LEU  69          HD21      LEU  69   1.492 -12.884  -0.525
  525   2HD2  LEU  69          HD22      LEU  69   1.745 -11.103  -0.423
  526   3HD2  LEU  69          HD23      LEU  69   1.232 -11.851  -1.976
  527    H    GLU  70           HN       GLU  70   6.941 -11.061  -4.664
  528    HA   GLU  70           HA       GLU  70   8.249 -13.444  -4.250
  529   1HB   GLU  70           HB1      GLU  70   6.545 -13.384  -6.816
  530   2HB   GLU  70           HB2      GLU  70   7.897 -14.517  -6.456
  531   1HG   GLU  70           HG1      GLU  70   6.501 -15.409  -4.483
  532   2HG   GLU  70           HG2      GLU  70   5.124 -14.408  -5.072
  533    H    ALA  71           HN       ALA  71   9.219 -11.251  -3.978
  534    HA   ALA  71           HA       ALA  71  10.035  -9.899  -6.452
  535   1HB   ALA  71           HB1      ALA  71  10.798  -8.060  -4.841
  536   2HB   ALA  71           HB2      ALA  71   9.064  -8.362  -4.809
  537   3HB   ALA  71           HB3      ALA  71  10.076  -9.045  -3.504
  538    H    ARG  72           HN       ARG  72  12.367  -8.722  -5.507
  539    HA   ARG  72           HA       ARG  72  14.278 -10.802  -5.898
  540   1HB   ARG  72           HB1      ARG  72  14.264  -8.507  -7.021
  541   2HB   ARG  72           HB2      ARG  72  14.641  -7.780  -5.445
  542   1HG   ARG  72           HG1      ARG  72  16.677  -7.908  -6.699
  543   2HG   ARG  72           HG2      ARG  72  16.818  -9.136  -5.407
  544   1HD   ARG  72           HD1      ARG  72  16.292 -10.964  -7.046
  545   2HD   ARG  72           HD2      ARG  72  16.009  -9.730  -8.348
  546    HE   ARG  72           HE       ARG  72  18.412  -9.006  -7.908
  547   1HH1  ARG  72          HH21      ARG  72  18.567 -12.791  -9.263
  548   2HH1  ARG  72          HH22      ARG  72  17.240 -12.350  -8.239
  549   1HH2  ARG  72          HH11      ARG  72  20.231  -9.667  -9.023
  550   2HH2  ARG  72          HH12      ARG  72  20.278 -11.256  -9.712
   
  No H/Q in entry =         550
  Start of MODEL   22
    1   1H    LEU   1           HT1      LEU   1  12.273   6.119   5.053
    2   2H    LEU   1           HT2      LEU   1  11.691   4.531   4.898
    3   3H    LEU   1           HT3      LEU   1  12.196   5.389   3.522
    4    HA   LEU   1           HA       LEU   1   9.917   6.015   5.247
    5   1HB   LEU   1           HB1      LEU   1  10.911   7.344   2.635
    6   2HB   LEU   1           HB2      LEU   1   9.304   7.648   3.346
    7    HG   LEU   1           HG       LEU   1  10.697   9.485   3.810
    8   1HD1  LEU   1          HD11      LEU   1   9.067   8.824   5.593
    9   2HD1  LEU   1          HD12      LEU   1  10.394   7.958   6.462
   10   3HD1  LEU   1          HD13      LEU   1  10.479   9.739   6.231
   11   1HD2  LEU   1          HD21      LEU   1  12.782   9.519   5.045
   12   2HD2  LEU   1          HD22      LEU   1  12.735   7.747   5.327
   13   3HD2  LEU   1          HD23      LEU   1  12.951   8.391   3.654
   14    H    CYS   2           HN       CYS   2   7.915   5.244   4.561
   15    HA   CYS   2           HA       CYS   2   7.614   3.083   2.883
   16   1HB   CYS   2           HB1      CYS   2   6.193   3.479   4.896
   17   2HB   CYS   2           HB2      CYS   2   5.550   4.998   4.115
   18    H    LEU   3           HN       LEU   3   7.070   3.050   0.662
   19    HA   LEU   3           HA       LEU   3   7.125   5.695  -0.489
   20   1HB   LEU   3           HB1      LEU   3   7.772   2.939  -1.512
   21   2HB   LEU   3           HB2      LEU   3   7.770   4.345  -2.640
   22    HG   LEU   3           HG       LEU   3   9.488   4.179  -0.111
   23   1HD1  LEU   3          HD11      LEU   3  11.458   3.789  -1.630
   24   2HD1  LEU   3          HD12      LEU   3  10.271   2.448  -1.687
   25   3HD1  LEU   3          HD13      LEU   3  10.336   3.645  -3.034
   26   1HD2  LEU   3          HD21      LEU   3  10.764   6.103  -1.096
   27   2HD2  LEU   3          HD22      LEU   3   9.583   6.181  -2.456
   28   3HD2  LEU   3          HD23      LEU   3   9.052   6.522  -0.767
   29    H    VAL   4           HN       VAL   4   4.889   4.258   0.616
   30    HA   VAL   4           HA       VAL   4   3.004   4.235  -1.646
   31    HB   VAL   4           HB       VAL   4   2.607   2.753   0.988
   32   1HG1  VAL   4          HG21      VAL   4   1.142   2.502  -1.665
   33   2HG1  VAL   4          HG22      VAL   4   0.840   1.546  -0.149
   34   3HG1  VAL   4          HG23      VAL   4   0.562   3.326  -0.168
   35   1HG2  VAL   4          HG11      VAL   4   3.855   1.610  -1.530
   36   2HG2  VAL   4          HG12      VAL   4   4.601   1.844   0.088
   37   3HG2  VAL   4          HG13      VAL   4   3.261   0.663  -0.096
   38    H    CYS   5           HN       CYS   5   3.008   4.558   1.897
   39    HA   CYS   5           HA       CYS   5   1.026   6.733   1.588
   40   1HB   CYS   5           HB1      CYS   5   0.052   6.306   3.686
   41   2HB   CYS   5           HB2      CYS   5   0.019   4.843   2.697
   42    H    SER   6           HN       SER   6   4.034   6.608   1.526
   43    HA   SER   6           HA       SER   6   5.780   7.853   2.204
   44   1HB   SER   6           HB1      SER   6   3.859  10.126   2.142
   45   2HB   SER   6           HB2      SER   6   5.568  10.102   1.539
   46    HG   SER   6           HG1      SER   6   4.705   8.573  -0.017
   47    H    ASP   7           HN       ASP   7   5.265   6.638   4.351
   48    HA   ASP   7           HA       ASP   7   5.156   8.510   6.647
   49   1HB   ASP   7           HB1      ASP   7   3.217   6.888   6.236
   50   2HB   ASP   7           HB2      ASP   7   4.359   5.532   6.223
   51    H    GLU   8           HN       GLU   8   6.526   7.469   8.576
   52    HA   GLU   8           HA       GLU   8   9.071   6.826   7.671
   53   1HB   GLU   8           HB1      GLU   8   8.690   6.045  10.499
   54   2HB   GLU   8           HB2      GLU   8   9.901   7.055   9.699
   55   1HG   GLU   8           HG1      GLU   8   8.804   8.474  11.238
   56   2HG   GLU   8           HG2      GLU   8   8.174   8.972   9.641
   57    H    ALA   9           HN       ALA   9   9.795   4.903   6.813
   58    HA   ALA   9           HA       ALA   9   8.121   2.600   7.087
   59   1HB   ALA   9           HB1      ALA   9  10.106   1.572   5.556
   60   2HB   ALA   9           HB2      ALA   9   8.871   2.640   4.866
   61   3HB   ALA   9           HB3      ALA   9  10.499   3.291   5.352
   62    H    SER  10           HN       SER  10   8.948   0.468   7.504
   63    HA   SER  10           HA       SER  10  10.713   0.367   9.816
   64   1HB   SER  10           HB1      SER  10   8.933  -1.793   8.505
   65   2HB   SER  10           HB2      SER  10   9.897  -1.997  10.015
   66    HG   SER  10           HG1      SER  10   8.671  -0.285  10.889
   67    H    GLY  11           HN       GLY  11  10.198  -0.993   6.508
   68   1HA   GLY  11           HA1      GLY  11  12.709  -0.822   5.587
   69   2HA   GLY  11           HA2      GLY  11  12.631  -2.427   6.439
   70    H    CYS  12           HN       CYS  12  13.064  -2.592   3.771
   71    HA   CYS  12           HA       CYS  12  10.607  -2.829   2.313
   72   1HB   CYS  12           HB1      CYS  12  12.069  -3.832   0.497
   73   2HB   CYS  12           HB2      CYS  12  12.524  -2.190   0.995
   74    HG1  CYS  12           HG1      CYS  12  14.678  -3.530   0.448
   75    H    HIS  13           HN       HIS  13   9.640  -4.943   1.579
   76    HA   HIS  13           HA       HIS  13  10.722  -7.225   3.119
   77   1HB   HIS  13           HB1      HIS  13   9.068  -5.881   4.615
   78   2HB   HIS  13           HB2      HIS  13   7.800  -6.411   3.486
   79    HD2  HIS  13           HD2      HIS  13   6.753  -8.907   4.221
   80    HE1  HIS  13           HE1      HIS  13   9.919 -10.091   6.755
   81    HE2  HIS  13           HE2      HIS  13   7.590 -10.671   5.880
   82    H    TYR  14           HN       TYR  14   9.032  -5.988   0.380
   83    HA   TYR  14           HA       TYR  14   8.753  -8.693  -0.646
   84   1HB   TYR  14           HB1      TYR  14   6.630  -6.467  -0.897
   85   2HB   TYR  14           HB2      TYR  14   6.567  -7.928  -1.806
   86    HD1  TYR  14           HD1      TYR  14   7.273 -10.179  -0.020
   87    HD2  TYR  14           HD2      TYR  14   4.739  -6.813   0.648
   88    HE1  TYR  14           HE1      TYR  14   6.314 -11.327   1.883
   89    HE2  TYR  14           HE2      TYR  14   3.768  -7.965   2.583
   90    HH   TYR  14           HH       TYR  14   4.832 -11.234   3.576
   91    H    GLY  15           HN       GLY  15   7.947  -5.946  -2.574
   92   1HA   GLY  15           HA1      GLY  15  10.643  -6.138  -3.737
   93   2HA   GLY  15           HA2      GLY  15   9.140  -5.496  -4.455
   94    H    VAL  16           HN       VAL  16   8.871  -3.827  -1.709
   95    HA   VAL  16           HA       VAL  16  10.823  -1.749  -2.495
   96    HB   VAL  16           HB       VAL  16   7.841  -1.304  -2.087
   97   1HG1  VAL  16          HG21      VAL  16   9.934   0.660  -3.125
   98   2HG1  VAL  16          HG22      VAL  16   8.147   0.860  -3.272
   99   3HG1  VAL  16          HG23      VAL  16   8.879   0.793  -1.647
  100   1HG2  VAL  16          HG11      VAL  16   9.311  -1.299  -4.803
  101   2HG2  VAL  16          HG12      VAL  16   8.211  -2.587  -4.205
  102   3HG2  VAL  16          HG13      VAL  16   7.562  -0.952  -4.506
  103    H    LEU  17           HN       LEU  17  11.026  -0.115  -1.058
  104    HA   LEU  17           HA       LEU  17  11.092  -0.684   1.696
  105   1HB   LEU  17           HB1      LEU  17  12.770   0.750   0.515
  106   2HB   LEU  17           HB2      LEU  17  11.507   1.954   0.173
  107    HG   LEU  17           HG       LEU  17  11.238   2.347   2.652
  108   1HD1  LEU  17          HD11      LEU  17  12.996   1.533   4.238
  109   2HD1  LEU  17          HD12      LEU  17  11.960   0.218   3.588
  110   3HD1  LEU  17          HD13      LEU  17  13.636   0.438   2.953
  111   1HD2  LEU  17          HD21      LEU  17  13.352   3.631   2.951
  112   2HD2  LEU  17          HD22      LEU  17  14.098   2.745   1.570
  113   3HD2  LEU  17          HD23      LEU  17  12.684   3.828   1.291
  114    H    THR  18           HN       THR  18   9.143  -0.947   2.737
  115    HA   THR  18           HA       THR  18   7.092   1.159   2.412
  116    HB   THR  18           HB       THR  18   5.486  -0.939   3.033
  117    HG1  THR  18           HG1      THR  18   6.314  -2.915   2.395
  118   1HG2  THR  18          HG21      THR  18   5.178  -1.700   0.790
  119   2HG2  THR  18          HG22      THR  18   5.487   0.085   0.836
  120   3HG2  THR  18          HG23      THR  18   6.802  -1.058   0.282
  121    H    CYS  19           HN       CYS  19   5.441   0.804   4.210
  122    HA   CYS  19           HA       CYS  19   6.991   1.102   6.632
  123   1HB   CYS  19           HB1      CYS  19   5.164   1.841   7.915
  124   2HB   CYS  19           HB2      CYS  19   5.435   2.821   6.550
  125    H    GLY  20           HN       GLY  20   5.227   0.108   8.617
  126   1HA   GLY  20           HA1      GLY  20   5.825  -2.703   8.537
  127   2HA   GLY  20           HA2      GLY  20   4.975  -1.748   9.812
  128    H    SER  21           HN       SER  21   2.927  -0.634   8.437
  129    HA   SER  21           HA       SER  21   1.064  -2.729   8.294
  130   1HB   SER  21           HB1      SER  21   0.692   0.239   7.538
  131   2HB   SER  21           HB2      SER  21  -0.624  -0.938   7.900
  132    HG   SER  21           HG1      SER  21  -0.047   0.385   9.644
  133    H    CYS  22           HN       CYS  22   2.572  -0.790   5.609
  134    HA   CYS  22           HA       CYS  22   0.753  -1.596   3.671
  135   1HB   CYS  22           HB1      CYS  22   3.473  -0.342   3.356
  136   2HB   CYS  22           HB2      CYS  22   2.467  -0.817   1.952
  137    H    LYS  23           HN       LYS  23   3.403  -3.204   5.020
  138    HA   LYS  23           HA       LYS  23   4.014  -5.100   3.149
  139   1HB   LYS  23           HB1      LYS  23   5.320  -4.619   5.257
  140   2HB   LYS  23           HB2      LYS  23   3.987  -5.290   6.210
  141   1HG   LYS  23           HG1      LYS  23   4.487  -7.520   4.728
  142   2HG   LYS  23           HG2      LYS  23   6.067  -6.734   4.530
  143   1HD   LYS  23           HD1      LYS  23   4.607  -7.489   7.145
  144   2HD   LYS  23           HD2      LYS  23   6.029  -8.320   6.473
  145   1HE   LYS  23           HE1      LYS  23   7.497  -6.373   6.969
  146   2HE   LYS  23           HE2      LYS  23   6.070  -5.376   7.456
  147   1HZ   LYS  23           HZ1      LYS  23   5.644  -6.880   9.221
  148   2HZ   LYS  23           HZ2      LYS  23   6.952  -7.869   8.778
  149   3HZ   LYS  23           HZ3      LYS  23   7.230  -6.281   9.319
  150    H    VAL  24           HN       VAL  24   2.104  -5.498   6.042
  151    HA   VAL  24           HA       VAL  24   0.916  -7.905   5.571
  152    HB   VAL  24           HB       VAL  24  -0.120  -5.588   7.337
  153   1HG1  VAL  24          HG21      VAL  24  -0.395  -8.621   7.822
  154   2HG1  VAL  24          HG22      VAL  24  -0.903  -7.290   8.944
  155   3HG1  VAL  24          HG23      VAL  24  -1.712  -7.482   7.349
  156   1HG2  VAL  24          HG11      VAL  24   2.139  -7.550   8.037
  157   2HG2  VAL  24          HG12      VAL  24   2.254  -5.762   7.796
  158   3HG2  VAL  24          HG13      VAL  24   1.338  -6.406   9.183
  159    H    PHE  25           HN       PHE  25  -0.192  -4.729   4.878
  160    HA   PHE  25           HA       PHE  25  -2.843  -5.058   4.255
  161   1HB   PHE  25           HB1      PHE  25  -1.723  -2.871   4.614
  162   2HB   PHE  25           HB2      PHE  25  -0.622  -3.171   3.264
  163    HD1  PHE  25           HD1      PHE  25  -4.454  -3.268   3.634
  164    HD2  PHE  25           HD2      PHE  25  -0.977  -1.895   1.491
  165    HE1  PHE  25           HE1      PHE  25  -5.902  -2.315   1.870
  166    HE2  PHE  25           HE2      PHE  25  -2.385  -0.994  -0.240
  167    HZ   PHE  25           HZ       PHE  25  -4.878  -1.183  -0.101
  168    H    PHE  26           HN       PHE  26  -0.007  -4.873   2.210
  169    HA   PHE  26           HA       PHE  26  -1.094  -5.514  -0.230
  170   1HB   PHE  26           HB1      PHE  26   1.019  -4.279   0.018
  171   2HB   PHE  26           HB2      PHE  26   1.793  -5.694   0.784
  172    HD1  PHE  26           HD1      PHE  26   0.114  -4.654  -2.463
  173    HD2  PHE  26           HD2      PHE  26   2.959  -7.202  -0.515
  174    HE1  PHE  26           HE1      PHE  26   0.999  -5.336  -4.653
  175    HE2  PHE  26           HE2      PHE  26   3.879  -7.850  -2.689
  176    HZ   PHE  26           HZ       PHE  26   2.880  -7.004  -4.777
  177    H    LYS  27           HN       LYS  27   0.488  -7.567   2.129
  178    HA   LYS  27           HA       LYS  27   0.551  -9.927   0.710
  179   1HB   LYS  27           HB1      LYS  27   2.116  -9.573   2.417
  180   2HB   LYS  27           HB2      LYS  27   0.853  -9.218   3.647
  181   1HG   LYS  27           HG1      LYS  27   1.892 -11.388   4.095
  182   2HG   LYS  27           HG2      LYS  27   0.187 -11.615   3.649
  183   1HD   LYS  27           HD1      LYS  27   1.537 -11.831   1.166
  184   2HD   LYS  27           HD2      LYS  27   2.687 -12.588   2.296
  185   1HE   LYS  27           HE1      LYS  27  -0.323 -13.285   2.098
  186   2HE   LYS  27           HE2      LYS  27   0.974 -14.188   1.220
  187   1HZ   LYS  27           HZ1      LYS  27   1.940 -14.767   3.306
  188   2HZ   LYS  27           HZ2      LYS  27   0.778 -13.869   4.157
  189   3HZ   LYS  27           HZ3      LYS  27   0.308 -15.238   3.268
  190    H    ARG  28           HN       ARG  28  -2.048  -8.427   2.567
  191    HA   ARG  28           HA       ARG  28  -3.744 -10.758   2.436
  192   1HB   ARG  28           HB1      ARG  28  -3.716  -8.188   3.883
  193   2HB   ARG  28           HB2      ARG  28  -5.301  -8.419   3.129
  194   1HG   ARG  28           HG1      ARG  28  -5.416  -9.300   5.337
  195   2HG   ARG  28           HG2      ARG  28  -5.520 -10.667   4.183
  196   1HD   ARG  28           HD1      ARG  28  -3.147 -11.297   4.636
  197   2HD   ARG  28           HD2      ARG  28  -2.913  -9.853   5.692
  198    HE   ARG  28           HE       ARG  28  -4.687 -12.221   6.243
  199   1HH1  ARG  28          HH21      ARG  28  -4.532  -9.211   8.920
  200   2HH1  ARG  28          HH22      ARG  28  -3.587  -9.063   7.476
  201   1HH2  ARG  28          HH11      ARG  28  -5.751 -11.166   9.343
  202   2HH2  ARG  28          HH12      ARG  28  -5.718 -12.480   8.215
  203    H    ALA  29           HN       ALA  29  -3.369  -7.648   0.914
  204    HA   ALA  29           HA       ALA  29  -5.661  -7.600  -0.649
  205   1HB   ALA  29           HB1      ALA  29  -4.568  -5.648  -1.781
  206   2HB   ALA  29           HB2      ALA  29  -4.377  -5.575  -0.003
  207   3HB   ALA  29           HB3      ALA  29  -2.995  -6.130  -1.003
  208    H    VAL  30           HN       VAL  30  -2.735  -9.322  -1.176
  209    HA   VAL  30           HA       VAL  30  -3.001  -9.425  -4.068
  210    HB   VAL  30           HB       VAL  30  -0.838 -10.310  -2.136
  211   1HG1  VAL  30          HG21      VAL  30  -0.907 -10.683  -5.186
  212   2HG1  VAL  30          HG22      VAL  30   0.561 -10.910  -4.150
  213   3HG1  VAL  30          HG23      VAL  30  -0.876 -11.990  -3.931
  214   1HG2  VAL  30          HG11      VAL  30  -0.518  -8.306  -4.447
  215   2HG2  VAL  30          HG12      VAL  30  -1.062  -7.793  -2.824
  216   3HG2  VAL  30          HG13      VAL  30   0.534  -8.581  -3.003
  217    H    GLU  31           HN       GLU  31  -2.330 -11.847  -1.572
  218    HA   GLU  31           HA       GLU  31  -4.087 -13.754  -2.988
  219   1HB   GLU  31           HB1      GLU  31  -2.568 -15.611  -2.467
  220   2HB   GLU  31           HB2      GLU  31  -1.941 -14.437  -3.654
  221   1HG   GLU  31           HG1      GLU  31  -0.537 -13.343  -1.935
  222   2HG   GLU  31           HG2      GLU  31  -1.135 -14.459  -0.667
  223    H    GLY  32           HN       GLY  32  -5.174 -12.277  -1.259
  224   1HA   GLY  32           HA1      GLY  32  -5.826 -14.163   0.918
  225   2HA   GLY  32           HA2      GLY  32  -5.360 -12.462   1.325
  226    H    GLN  33           HN       GLN  33  -7.280 -11.567   2.001
  227    HA   GLN  33           HA       GLN  33  -9.653 -11.862   0.302
  228   1HB   GLN  33           HB1      GLN  33 -11.009 -11.126   2.128
  229   2HB   GLN  33           HB2      GLN  33  -9.963 -12.452   2.658
  230   1HG   GLN  33           HG1      GLN  33  -9.800 -11.117   4.514
  231   2HG   GLN  33           HG2      GLN  33  -8.354 -10.549   3.632
  232   1HE2  GLN  33          HE21      GLN  33  -8.204  -8.294   3.554
  233   2HE2  GLN  33          HE22      GLN  33  -9.526  -7.178   3.647
  234    H    HIS  34           HN       HIS  34 -10.429 -10.091  -0.815
  235    HA   HIS  34           HA       HIS  34  -8.839  -7.606  -0.628
  236   1HB   HIS  34           HB1      HIS  34 -10.128  -8.615  -3.205
  237   2HB   HIS  34           HB2      HIS  34  -8.792  -7.435  -3.004
  238    HD2  HIS  34           HD2      HIS  34  -6.844  -9.784  -1.184
  239    HE1  HIS  34           HE1      HIS  34  -7.164 -11.799  -4.873
  240    HE2  HIS  34           HE2      HIS  34  -5.926 -11.645  -2.648
  241    H    ASN  35           HN       ASN  35 -10.222  -6.013  -2.223
  242    HA   ASN  35           HA       ASN  35 -11.981  -4.947  -2.768
  243   1HB   ASN  35           HB1      ASN  35 -13.444  -7.063  -2.600
  244   2HB   ASN  35           HB2      ASN  35 -13.904  -6.523  -0.956
  245   1HD2  ASN  35          HD21      ASN  35 -16.656  -5.386  -3.108
  246   2HD2  ASN  35          HD22      ASN  35 -16.021  -6.828  -2.387
  247    H    TYR  36           HN       TYR  36 -11.659  -2.964  -2.060
  248    HA   TYR  36           HA       TYR  36 -12.174  -2.300   0.725
  249   1HB   TYR  36           HB1      TYR  36  -9.806  -0.985  -0.682
  250   2HB   TYR  36           HB2      TYR  36 -10.268  -0.944   1.038
  251    HD1  TYR  36           HD2      TYR  36  -9.960  -2.975   2.429
  252    HD2  TYR  36           HD1      TYR  36  -8.486  -2.857  -1.617
  253    HE1  TYR  36           HE2      TYR  36  -8.490  -4.887   2.910
  254    HE2  TYR  36           HE1      TYR  36  -7.020  -4.773  -1.135
  255    HH   TYR  36           HH       TYR  36  -6.298  -6.254   0.426
  256    H    LEU  37           HN       LEU  37 -11.198  -0.561  -2.279
  257    HA   LEU  37           HA       LEU  37 -13.722   0.626  -2.702
  258   1HB   LEU  37           HB1      LEU  37 -12.632   1.870  -0.549
  259   2HB   LEU  37           HB2      LEU  37 -11.611   2.650  -1.756
  260    HG   LEU  37           HG       LEU  37 -13.817   3.420  -2.917
  261   1HD1  LEU  37          HD11      LEU  37 -15.890   3.445  -1.526
  262   2HD1  LEU  37          HD12      LEU  37 -15.398   1.768  -1.929
  263   3HD1  LEU  37          HD13      LEU  37 -15.081   2.427  -0.282
  264   1HD2  LEU  37          HD21      LEU  37 -14.192   5.287  -1.325
  265   2HD2  LEU  37          HD22      LEU  37 -13.291   4.398  -0.041
  266   3HD2  LEU  37          HD23      LEU  37 -12.440   4.948  -1.530
  267    H    CYS  38           HN       CYS  38 -12.393   2.928  -3.782
  268    HA   CYS  38           HA       CYS  38 -12.068   3.386  -5.999
  269   1HB   CYS  38           HB1      CYS  38  -9.303   3.183  -4.709
  270   2HB   CYS  38           HB2      CYS  38  -9.726   4.203  -6.119
  271    H    ALA  39           HN       ALA  39 -12.736   1.551  -7.059
  272    HA   ALA  39           HA       ALA  39 -10.676   0.159  -8.561
  273   1HB   ALA  39           HB1      ALA  39 -12.363  -1.720  -8.833
  274   2HB   ALA  39           HB2      ALA  39 -11.984  -1.428  -7.100
  275   3HB   ALA  39           HB3      ALA  39 -13.512  -0.781  -7.797
  276    H    GLY  40           HN       GLY  40 -13.217   2.377  -8.436
  277   1HA   GLY  40           HA1      GLY  40 -13.654   2.307 -11.359
  278   2HA   GLY  40           HA2      GLY  40 -14.891   2.687 -10.101
  279    H    ARG  41           HN       ARG  41 -12.093   4.052  -8.875
  280    HA   ARG  41           HA       ARG  41 -12.440   6.566 -10.349
  281   1HB   ARG  41           HB1      ARG  41 -12.234   6.020  -7.349
  282   2HB   ARG  41           HB2      ARG  41 -11.676   7.570  -8.066
  283   1HG   ARG  41           HG1      ARG  41 -13.898   8.057  -8.951
  284   2HG   ARG  41           HG2      ARG  41 -14.552   6.505  -8.340
  285   1HD   ARG  41           HD1      ARG  41 -14.464   7.193  -6.047
  286   2HD   ARG  41           HD2      ARG  41 -13.187   8.425  -6.363
  287    HE   ARG  41           HE       ARG  41 -14.787   9.874  -7.380
  288   1HH1  ARG  41          HH21      ARG  41 -18.017   7.497  -7.067
  289   2HH1  ARG  41          HH22      ARG  41 -16.495   6.874  -6.520
  290   1HH2  ARG  41          HH11      ARG  41 -18.194   9.713  -7.811
  291   2HH2  ARG  41          HH12      ARG  41 -16.801  10.744  -7.818
  292    H    ASN  42           HN       ASN  42 -10.354   5.756  -7.753
  293    HA   ASN  42           HA       ASN  42  -8.243   5.558  -7.392
  294   1HB   ASN  42           HB1      ASN  42  -8.124   3.638  -8.966
  295   2HB   ASN  42           HB2      ASN  42  -7.841   4.753 -10.335
  296   1HD2  ASN  42          HD21      ASN  42  -4.370   4.105  -9.912
  297   2HD2  ASN  42          HD22      ASN  42  -5.769   4.013 -10.929
  298    H    ASP  43           HN       ASP  43  -9.030   7.872  -7.160
  299    HA   ASP  43           HA       ASP  43  -7.540   9.706  -8.928
  300   1HB   ASP  43           HB1      ASP  43  -9.066  11.488  -7.583
  301   2HB   ASP  43           HB2      ASP  43  -9.529  10.682  -9.122
  302    H    CYS  44           HN       CYS  44  -8.578   9.237  -5.463
  303    HA   CYS  44           HA       CYS  44  -7.179  11.258  -4.573
  304   1HB   CYS  44           HB1      CYS  44  -7.399   9.633  -2.263
  305   2HB   CYS  44           HB2      CYS  44  -8.570  10.774  -2.922
  306    H    ILE  45           HN       ILE  45  -5.204  11.621  -3.511
  307    HA   ILE  45           HA       ILE  45  -3.056   9.784  -4.133
  308    HB   ILE  45           HB       ILE  45  -3.008  12.526  -2.760
  309   1HG1  ILE  45          HG11      ILE  45  -3.889  12.837  -4.990
  310   2HG1  ILE  45          HG12      ILE  45  -2.234  13.485  -4.887
  311   1HG2  ILE  45          HG21      ILE  45  -0.562  12.591  -3.370
  312   2HG2  ILE  45          HG22      ILE  45  -0.943  11.305  -2.179
  313   3HG2  ILE  45          HG23      ILE  45  -0.665  10.874  -3.907
  314   1HD1  ILE  45           HD1      ILE  45  -2.594  12.317  -7.050
  315   2HD1  ILE  45           HD2      ILE  45  -1.348  11.446  -6.088
  316   3HD1  ILE  45           HD3      ILE  45  -3.026  10.793  -6.199
  317    H    ILE  46           HN       ILE  46  -1.847   8.713  -2.572
  318    HA   ILE  46           HA       ILE  46  -2.942   8.655   0.159
  319    HB   ILE  46           HB       ILE  46  -2.458   6.571  -1.888
  320   1HG1  ILE  46          HG11      ILE  46  -4.104   5.308  -0.777
  321   2HG1  ILE  46          HG12      ILE  46  -3.877   6.155   0.792
  322   1HG2  ILE  46          HG21      ILE  46  -1.763   4.745  -0.440
  323   2HG2  ILE  46          HG22      ILE  46  -0.453   5.935  -0.646
  324   3HG2  ILE  46          HG23      ILE  46  -1.357   5.879   0.911
  325   1HD1  ILE  46           HD1      ILE  46  -5.988   6.714  -0.299
  326   2HD1  ILE  46           HD2      ILE  46  -4.971   8.179  -0.149
  327   3HD1  ILE  46           HD3      ILE  46  -5.113   7.345  -1.756
  328    H    ASP  47           HN       ASP  47  -1.684   9.469   1.551
  329    HA   ASP  47           HA       ASP  47   1.137   9.086   1.464
  330   1HB   ASP  47           HB1      ASP  47   1.849  11.353   1.690
  331   2HB   ASP  47           HB2      ASP  47   1.105  11.110   0.099
  332    H    LYS  48           HN       LYS  48   1.666  10.760   3.643
  333    HA   LYS  48           HA       LYS  48   0.759   9.185   5.692
  334   1HB   LYS  48           HB1      LYS  48   2.909  10.697   5.352
  335   2HB   LYS  48           HB2      LYS  48   1.977  11.937   6.213
  336   1HG   LYS  48           HG1      LYS  48   1.681  10.226   8.141
  337   2HG   LYS  48           HG2      LYS  48   2.686   9.096   7.189
  338   1HD   LYS  48           HD1      LYS  48   4.097  10.085   8.863
  339   2HD   LYS  48           HD2      LYS  48   4.598  10.777   7.288
  340   1HE   LYS  48           HE1      LYS  48   3.352  12.908   7.816
  341   2HE   LYS  48           HE2      LYS  48   2.752  12.183   9.358
  342   1HZ   LYS  48           HZ1      LYS  48   4.612  13.590   9.703
  343   2HZ   LYS  48           HZ2      LYS  48   5.016  11.985  10.082
  344   3HZ   LYS  48           HZ3      LYS  48   5.579  12.684   8.640
  345    H    ILE  49           HN       ILE  49  -1.043  11.608   4.269
  346    HA   ILE  49           HA       ILE  49  -2.530  12.256   6.720
  347    HB   ILE  49           HB       ILE  49  -1.896  13.849   4.194
  348   1HG1  ILE  49          HG11      ILE  49  -0.100  13.973   5.828
  349   2HG1  ILE  49          HG12      ILE  49  -0.917  15.545   5.654
  350   1HG2  ILE  49          HG21      ILE  49  -3.304  15.734   5.063
  351   2HG2  ILE  49          HG22      ILE  49  -4.239  14.266   4.598
  352   3HG2  ILE  49          HG23      ILE  49  -3.951  14.626   6.343
  353   1HD1  ILE  49           HD1      ILE  49  -1.287  13.571   8.013
  354   2HD1  ILE  49           HD2      ILE  49  -0.377  15.121   8.030
  355   3HD1  ILE  49           HD3      ILE  49  -2.165  15.135   7.824
  356    H    ARG  50           HN       ARG  50  -2.718  11.809   3.247
  357    HA   ARG  50           HA       ARG  50  -5.575  11.563   3.272
  358   1HB   ARG  50           HB1      ARG  50  -3.545  11.316   1.011
  359   2HB   ARG  50           HB2      ARG  50  -5.338  11.327   0.790
  360   1HG   ARG  50           HG1      ARG  50  -5.437  13.605   1.844
  361   2HG   ARG  50           HG2      ARG  50  -3.645  13.627   1.940
  362   1HD   ARG  50           HD1      ARG  50  -3.493  13.391  -0.565
  363   2HD   ARG  50           HD2      ARG  50  -5.294  13.390  -0.688
  364    HE   ARG  50           HE       ARG  50  -3.546  15.653   0.250
  365   1HH1  ARG  50          HH21      ARG  50  -7.543  16.154   0.249
  366   2HH1  ARG  50          HH22      ARG  50  -6.920  14.614  -0.245
  367   1HH2  ARG  50          HH11      ARG  50  -6.091  17.915   0.752
  368   2HH2  ARG  50          HH12      ARG  50  -4.375  17.699   0.636
  369    H    ARG  51           HN       ARG  51  -3.453   9.375   4.208
  370    HA   ARG  51           HA       ARG  51  -4.096   7.055   2.774
  371   1HB   ARG  51           HB1      ARG  51  -2.198   6.532   3.733
  372   2HB   ARG  51           HB2      ARG  51  -2.371   7.792   4.979
  373   1HG   ARG  51           HG1      ARG  51  -3.690   5.039   5.323
  374   2HG   ARG  51           HG2      ARG  51  -1.980   5.350   5.700
  375   1HD   ARG  51           HD1      ARG  51  -2.548   7.087   7.377
  376   2HD   ARG  51           HD2      ARG  51  -4.297   6.968   6.969
  377    HE   ARG  51           HE       ARG  51  -4.373   4.744   7.867
  378   1HH1  ARG  51          HH21      ARG  51  -0.487   4.393   8.851
  379   2HH1  ARG  51          HH22      ARG  51  -0.994   5.852   8.068
  380   1HH2  ARG  51          HH11      ARG  51  -2.052   2.762   9.453
  381   2HH2  ARG  51          HH12      ARG  51  -3.736   2.999   9.121
  382    H    LYS  52           HN       LYS  52  -5.848   8.690   5.294
  383    HA   LYS  52           HA       LYS  52  -7.379   6.430   6.096
  384   1HB   LYS  52           HB1      LYS  52  -8.388   7.996   7.720
  385   2HB   LYS  52           HB2      LYS  52  -6.611   7.884   7.765
  386   1HG   LYS  52           HG1      LYS  52  -6.955  10.152   8.097
  387   2HG   LYS  52           HG2      LYS  52  -6.509  10.057   6.379
  388   1HD   LYS  52           HD1      LYS  52  -8.268  11.693   6.676
  389   2HD   LYS  52           HD2      LYS  52  -8.940  10.333   5.742
  390   1HE   LYS  52           HE1      LYS  52 -10.069   9.461   7.858
  391   2HE   LYS  52           HE2      LYS  52  -9.369  10.852   8.773
  392   1HZ   LYS  52           HZ1      LYS  52 -11.586  11.276   8.133
  393   2HZ   LYS  52           HZ2      LYS  52 -10.556  12.321   7.278
  394   3HZ   LYS  52           HZ3      LYS  52 -11.251  10.983   6.494
  395    H    ASN  53           HN       ASN  53  -7.570   7.912   3.367
  396    HA   ASN  53           HA       ASN  53 -10.382   8.588   3.262
  397   1HB   ASN  53           HB1      ASN  53  -8.105   8.888   1.209
  398   2HB   ASN  53           HB2      ASN  53  -9.804   9.073   0.721
  399   1HD2  ASN  53          HD21      ASN  53  -8.151  11.968   3.248
  400   2HD2  ASN  53          HD22      ASN  53  -7.553  10.342   3.326
  401    H    CYS  54           HN       CYS  54  -8.042   6.080   2.286
  402    HA   CYS  54           HA       CYS  54 -10.096   4.205   1.960
  403   1HB   CYS  54           HB1      CYS  54  -9.562   3.616  -0.510
  404   2HB   CYS  54           HB2      CYS  54 -10.626   5.013  -0.205
  405    HA   PRO  55           HA       PRO  55  -6.165   1.882   1.884
  406   1HB   PRO  55           HB1      PRO  55  -7.030  -0.447   2.949
  407   2HB   PRO  55           HB2      PRO  55  -6.923   0.996   3.923
  408   1HG   PRO  55           HG1      PRO  55  -9.399  -0.192   2.727
  409   2HG   PRO  55           HG2      PRO  55  -9.176   0.496   4.316
  410   1HD   PRO  55           HD1      PRO  55 -10.213   1.875   2.072
  411   2HD   PRO  55           HD2      PRO  55  -9.580   2.656   3.526
  412    H    ALA  56           HN       ALA  56  -7.542   2.479  -0.562
  413    HA   ALA  56           HA       ALA  56  -7.622  -0.064  -1.959
  414   1HB   ALA  56           HB1      ALA  56  -9.152   1.050  -3.583
  415   2HB   ALA  56           HB2      ALA  56  -9.838   1.083  -1.912
  416   3HB   ALA  56           HB3      ALA  56  -9.098   2.561  -2.591
  417    H    CYS  57           HN       CYS  57  -6.993   3.521  -2.365
  418    HA   CYS  57           HA       CYS  57  -5.477   3.301  -4.617
  419   1HB   CYS  57           HB1      CYS  57  -5.706   5.402  -2.452
  420   2HB   CYS  57           HB2      CYS  57  -4.594   5.622  -3.801
  421    H    ARG  58           HN       ARG  58  -4.563   2.993  -1.304
  422    HA   ARG  58           HA       ARG  58  -1.861   3.141  -1.474
  423   1HB   ARG  58           HB1      ARG  58  -3.383   1.101   0.296
  424   2HB   ARG  58           HB2      ARG  58  -1.720   1.714   0.574
  425   1HG   ARG  58           HG1      ARG  58  -3.305   4.029   0.529
  426   2HG   ARG  58           HG2      ARG  58  -4.399   2.871   1.256
  427   1HD   ARG  58           HD1      ARG  58  -1.510   3.487   2.202
  428   2HD   ARG  58           HD2      ARG  58  -2.997   4.166   2.966
  429    HE   ARG  58           HE       ARG  58  -2.117   1.285   2.945
  430   1HH1  ARG  58          HH21      ARG  58  -5.566   2.284   4.776
  431   2HH1  ARG  58          HH22      ARG  58  -4.635   3.554   4.057
  432   1HH2  ARG  58          HH11      ARG  58  -4.769   0.080   4.774
  433   2HH2  ARG  58          HH12      ARG  58  -3.241  -0.295   4.048
  434    H    TYR  59           HN       TYR  59  -4.037   0.490  -2.447
  435    HA   TYR  59           HA       TYR  59  -1.998  -1.508  -2.587
  436   1HB   TYR  59           HB1      TYR  59  -4.415  -2.061  -2.195
  437   2HB   TYR  59           HB2      TYR  59  -4.817  -1.416  -3.808
  438    HD1  TYR  59           HD1      TYR  59  -2.076  -3.839  -2.647
  439    HD2  TYR  59           HD2      TYR  59  -5.461  -3.108  -5.204
  440    HE1  TYR  59           HE1      TYR  59  -1.744  -6.047  -3.746
  441    HE2  TYR  59           HE2      TYR  59  -5.139  -5.306  -6.259
  442    HH   TYR  59           HH       TYR  59  -3.917  -7.171  -6.359
  443    H    ARG  60           HN       ARG  60  -3.641   0.772  -4.759
  444    HA   ARG  60           HA       ARG  60  -2.435   0.013  -7.132
  445   1HB   ARG  60           HB1      ARG  60  -3.490   2.806  -6.457
  446   2HB   ARG  60           HB2      ARG  60  -3.284   2.113  -8.086
  447   1HG   ARG  60           HG1      ARG  60  -5.267   1.001  -5.979
  448   2HG   ARG  60           HG2      ARG  60  -5.650   2.278  -7.142
  449   1HD   ARG  60           HD1      ARG  60  -6.529   0.323  -8.128
  450   2HD   ARG  60           HD2      ARG  60  -5.004   0.638  -9.054
  451    HE   ARG  60           HE       ARG  60  -3.941  -1.050  -7.448
  452   1HH1  ARG  60          HH21      ARG  60  -6.795  -3.013  -9.509
  453   2HH1  ARG  60          HH22      ARG  60  -7.105  -1.371  -9.052
  454   1HH2  ARG  60          HH11      ARG  60  -4.826  -4.079  -8.822
  455   2HH2  ARG  60          HH12      ARG  60  -3.664  -3.234  -7.853
  456    H    LYS  61           HN       LYS  61  -1.546   2.427  -4.701
  457    HA   LYS  61           HA       LYS  61   0.502   3.562  -6.138
  458   1HB   LYS  61           HB1      LYS  61  -0.950   4.599  -4.343
  459   2HB   LYS  61           HB2      LYS  61   0.079   3.810  -3.119
  460   1HG   LYS  61           HG1      LYS  61   2.022   5.104  -3.847
  461   2HG   LYS  61           HG2      LYS  61   1.199   5.583  -5.371
  462   1HD   LYS  61           HD1      LYS  61  -0.463   6.937  -4.088
  463   2HD   LYS  61           HD2      LYS  61   0.350   6.519  -2.560
  464   1HE   LYS  61           HE1      LYS  61   1.663   8.061  -4.915
  465   2HE   LYS  61           HE2      LYS  61   0.965   8.826  -3.442
  466   1HZ   LYS  61           HZ1      LYS  61   3.323   8.591  -3.336
  467   2HZ   LYS  61           HZ2      LYS  61   2.570   7.674  -2.123
  468   3HZ   LYS  61           HZ3      LYS  61   3.214   6.905  -3.493
  469    H    CYS  62           HN       CYS  62   0.580   1.143  -3.581
  470    HA   CYS  62           HA       CYS  62   3.329   0.928  -3.443
  471   1HB   CYS  62           HB1      CYS  62   3.107  -0.915  -2.008
  472   2HB   CYS  62           HB2      CYS  62   1.785   0.193  -1.656
  473    HG1  CYS  62           HG1      CYS  62   1.007  -2.231  -1.270
  474    H    LEU  63           HN       LEU  63   1.011  -0.714  -5.556
  475    HA   LEU  63           HA       LEU  63   2.777  -2.506  -6.739
  476   1HB   LEU  63           HB1      LEU  63   0.095  -1.308  -7.577
  477   2HB   LEU  63           HB2      LEU  63   0.973  -2.371  -8.714
  478    HG   LEU  63           HG       LEU  63   0.200  -3.249  -5.877
  479   1HD1  LEU  63          HD11      LEU  63  -1.681  -4.493  -6.916
  480   2HD1  LEU  63          HD12      LEU  63  -1.859  -2.722  -7.182
  481   3HD1  LEU  63          HD13      LEU  63  -1.293  -3.781  -8.525
  482   1HD2  LEU  63          HD21      LEU  63   0.571  -5.564  -6.844
  483   2HD2  LEU  63          HD22      LEU  63   1.198  -4.807  -8.351
  484   3HD2  LEU  63          HD23      LEU  63   2.069  -4.570  -6.791
  485    H    GLN  64           HN       GLN  64   1.824   0.834  -7.570
  486    HA   GLN  64           HA       GLN  64   3.257   1.053  -9.919
  487   1HB   GLN  64           HB1      GLN  64   2.131   3.070  -7.944
  488   2HB   GLN  64           HB2      GLN  64   3.087   3.652  -9.325
  489   1HG   GLN  64           HG1      GLN  64   0.598   1.837  -9.672
  490   2HG   GLN  64           HG2      GLN  64   0.514   3.625  -9.596
  491   1HE2  GLN  64          HE21      GLN  64   1.260   0.863 -11.636
  492   2HE2  GLN  64          HE22      GLN  64   1.735   1.741 -13.051
  493    H    ALA  65           HN       ALA  65   4.172   1.365  -6.607
  494    HA   ALA  65           HA       ALA  65   6.640   2.605  -6.922
  495   1HB   ALA  65           HB1      ALA  65   7.123   2.126  -4.626
  496   2HB   ALA  65           HB2      ALA  65   5.370   2.486  -4.733
  497   3HB   ALA  65           HB3      ALA  65   5.919   0.784  -4.574
  498    H    GLY  66           HN       GLY  66   5.655  -0.741  -6.940
  499   1HA   GLY  66           HA1      GLY  66   6.769  -2.071  -8.582
  500   2HA   GLY  66           HA2      GLY  66   8.343  -1.562  -7.875
  501    H    MET  67           HN       MET  67   5.584  -2.236  -5.782
  502    HA   MET  67           HA       MET  67   6.980  -4.106  -4.257
  503   1HB   MET  67           HB1      MET  67   4.056  -3.334  -4.390
  504   2HB   MET  67           HB2      MET  67   4.545  -4.687  -3.337
  505   1HG   MET  67           HG1      MET  67   5.779  -1.880  -3.110
  506   2HG   MET  67           HG2      MET  67   4.329  -2.429  -2.224
  507   1HE   MET  67           HE1      MET  67   4.149  -3.773  -0.181
  508   2HE   MET  67           HE2      MET  67   5.458  -4.698   0.609
  509   3HE   MET  67           HE3      MET  67   4.723  -5.336  -0.906
  510    H    ASN  68           HN       ASN  68   6.699  -6.473  -3.938
  511    HA   ASN  68           HA       ASN  68   4.950  -7.829  -5.688
  512   1HB   ASN  68           HB1      ASN  68   7.081  -7.205  -7.213
  513   2HB   ASN  68           HB2      ASN  68   7.910  -8.456  -6.324
  514   1HD2  ASN  68          HD21      ASN  68   4.643  -9.912  -8.457
  515   2HD2  ASN  68          HD22      ASN  68   4.468  -8.499  -7.459
  516    H    LEU  69           HN       LEU  69   4.334  -9.466  -4.623
  517    HA   LEU  69           HA       LEU  69   5.779 -10.400  -2.283
  518   1HB   LEU  69           HB1      LEU  69   3.553  -9.829  -1.785
  519   2HB   LEU  69           HB2      LEU  69   2.929 -10.591  -3.291
  520    HG   LEU  69           HG       LEU  69   3.552 -12.882  -2.268
  521   1HD1  LEU  69          HD11      LEU  69   3.837 -13.050   0.170
  522   2HD1  LEU  69          HD12      LEU  69   5.162 -12.053  -0.527
  523   3HD1  LEU  69          HD13      LEU  69   3.786 -11.255   0.333
  524   1HD2  LEU  69          HD21      LEU  69   1.506 -12.933  -0.823
  525   2HD2  LEU  69          HD22      LEU  69   1.410 -11.131  -0.928
  526   3HD2  LEU  69          HD23      LEU  69   1.253 -12.133  -2.414
  527    H    GLU  70           HN       GLU  70   7.417 -11.333  -3.246
  528    HA   GLU  70           HA       GLU  70   8.484 -13.273  -3.675
  529   1HB   GLU  70           HB1      GLU  70   6.536 -13.846  -5.949
  530   2HB   GLU  70           HB2      GLU  70   8.089 -14.699  -5.659
  531   1HG   GLU  70           HG1      GLU  70   7.278 -15.609  -3.503
  532   2HG   GLU  70           HG2      GLU  70   5.750 -14.691  -3.619
  533    H    ALA  71           HN       ALA  71   9.227 -10.997  -3.792
  534    HA   ALA  71           HA       ALA  71   9.779  -9.927  -6.455
  535   1HB   ALA  71           HB1      ALA  71  10.810  -7.979  -5.095
  536   2HB   ALA  71           HB2      ALA  71   9.070  -8.177  -4.855
  537   3HB   ALA  71           HB3      ALA  71  10.184  -8.812  -3.618
  538    H    ARG  72           HN       ARG  72  11.981  -9.217  -6.948
  539    HA   ARG  72           HA       ARG  72  14.170 -10.521  -5.573
  540   1HB   ARG  72           HB1      ARG  72  13.394 -12.188  -7.277
  541   2HB   ARG  72           HB2      ARG  72  13.575 -10.979  -8.569
  542   1HG   ARG  72           HG1      ARG  72  15.939 -11.863  -6.780
  543   2HG   ARG  72           HG2      ARG  72  15.405 -12.808  -8.202
  544   1HD   ARG  72           HD1      ARG  72  15.797 -10.802  -9.701
  545   2HD   ARG  72           HD2      ARG  72  16.469  -9.900  -8.277
  546    HE   ARG  72           HE       ARG  72  17.574 -12.549  -9.158
  547   1HH1  ARG  72          HH21      ARG  72  19.509  -9.165 -10.151
  548   2HH1  ARG  72          HH22      ARG  72  18.019  -9.019  -9.278
  549   1HH2  ARG  72          HH11      ARG  72  19.622 -12.707 -10.050
  550   2HH2  ARG  72          HH12      ARG  72  20.424 -11.270 -10.592
   
  No H/Q in entry =         550
  Start of MODEL   23
    1   1H    LEU   1           HT1      LEU   1  10.234   8.127   4.839
    2   2H    LEU   1           HT2      LEU   1   9.044   7.810   3.666
    3   3H    LEU   1           HT3      LEU   1   9.080   6.907   5.106
    4    HA   LEU   1           HA       LEU   1  11.110   6.981   3.037
    5   1HB   LEU   1           HB1      LEU   1  11.927   6.688   5.416
    6   2HB   LEU   1           HB2      LEU   1  11.002   5.191   5.512
    7    HG   LEU   1           HG       LEU   1  12.409   4.280   3.578
    8   1HD1  LEU   1          HD11      LEU   1  14.591   5.447   3.081
    9   2HD1  LEU   1          HD12      LEU   1  13.172   6.411   2.550
   10   3HD1  LEU   1          HD13      LEU   1  14.049   6.857   4.058
   11   1HD2  LEU   1          HD21      LEU   1  14.405   3.813   4.982
   12   2HD2  LEU   1          HD22      LEU   1  13.935   5.135   6.113
   13   3HD2  LEU   1          HD23      LEU   1  12.884   3.682   5.935
   14    H    CYS   2           HN       CYS   2   8.140   5.415   4.236
   15    HA   CYS   2           HA       CYS   2   7.874   3.223   2.553
   16   1HB   CYS   2           HB1      CYS   2   6.487   3.468   4.594
   17   2HB   CYS   2           HB2      CYS   2   5.756   4.989   3.884
   18    H    LEU   3           HN       LEU   3   7.217   3.192   0.332
   19    HA   LEU   3           HA       LEU   3   7.154   5.853  -0.759
   20   1HB   LEU   3           HB1      LEU   3   7.705   3.118  -1.919
   21   2HB   LEU   3           HB2      LEU   3   7.643   4.562  -2.993
   22    HG   LEU   3           HG       LEU   3   9.556   4.265  -0.631
   23   1HD1  LEU   3          HD11      LEU   3  11.357   3.868  -2.329
   24   2HD1  LEU   3          HD12      LEU   3  10.078   2.606  -2.457
   25   3HD1  LEU   3          HD13      LEU   3  10.143   3.943  -3.658
   26   1HD2  LEU   3          HD21      LEU   3  10.774   6.214  -1.647
   27   2HD2  LEU   3          HD22      LEU   3   9.455   6.390  -2.861
   28   3HD2  LEU   3          HD23      LEU   3   9.116   6.637  -1.107
   29    H    VAL   4           HN       VAL   4   4.972   4.332   0.416
   30    HA   VAL   4           HA       VAL   4   3.019   4.324  -1.788
   31    HB   VAL   4           HB       VAL   4   2.803   2.711   0.790
   32   1HG1  VAL   4          HG21      VAL   4   1.200   2.460  -1.784
   33   2HG1  VAL   4          HG22      VAL   4   0.994   1.526  -0.244
   34   3HG1  VAL   4          HG23      VAL   4   0.660   3.293  -0.274
   35   1HG2  VAL   4          HG11      VAL   4   3.869   1.767  -1.903
   36   2HG2  VAL   4          HG12      VAL   4   4.768   1.936  -0.351
   37   3HG2  VAL   4          HG13      VAL   4   3.456   0.720  -0.476
   38    H    CYS   5           HN       CYS   5   3.110   4.539   1.760
   39    HA   CYS   5           HA       CYS   5   1.045   6.656   1.548
   40   1HB   CYS   5           HB1      CYS   5   0.115   6.083   3.630
   41   2HB   CYS   5           HB2      CYS   5   0.162   4.659   2.586
   42    H    SER   6           HN       SER   6   4.064   6.605   1.435
   43    HA   SER   6           HA       SER   6   5.788   7.866   2.136
   44   1HB   SER   6           HB1      SER   6   3.818  10.093   2.267
   45   2HB   SER   6           HB2      SER   6   5.506  10.138   1.602
   46    HG   SER   6           HG1      SER   6   3.847  10.102   0.045
   47    H    ASP   7           HN       ASP   7   5.268   6.512   4.246
   48    HA   ASP   7           HA       ASP   7   5.301   8.323   6.610
   49   1HB   ASP   7           HB1      ASP   7   3.265   6.795   6.252
   50   2HB   ASP   7           HB2      ASP   7   4.342   5.389   6.234
   51    H    GLU   8           HN       GLU   8   6.849   7.515   8.356
   52    HA   GLU   8           HA       GLU   8   9.255   6.714   7.310
   53   1HB   GLU   8           HB1      GLU   8   8.791   6.302  10.246
   54   2HB   GLU   8           HB2      GLU   8  10.253   6.853   9.394
   55   1HG   GLU   8           HG1      GLU   8   7.611   8.466   9.787
   56   2HG   GLU   8           HG2      GLU   8   9.075   8.614  10.797
   57    H    ALA   9           HN       ALA   9   9.799   4.884   6.420
   58    HA   ALA   9           HA       ALA   9   8.424   2.472   6.989
   59   1HB   ALA   9           HB1      ALA   9  10.095   1.610   5.064
   60   2HB   ALA   9           HB2      ALA   9   8.786   2.732   4.620
   61   3HB   ALA   9           HB3      ALA   9  10.472   3.322   4.876
   62    H    SER  10           HN       SER  10   9.692   0.381   6.939
   63    HA   SER  10           HA       SER  10  11.970   0.541   8.751
   64   1HB   SER  10           HB1      SER  10  11.088  -1.599   9.837
   65   2HB   SER  10           HB2      SER  10  10.161  -0.107  10.168
   66    HG   SER  10           HG1      SER  10   9.516  -2.016   8.184
   67    H    GLY  11           HN       GLY  11  12.229   0.586   5.971
   68   1HA   GLY  11           HA1      GLY  11  13.849  -0.346   4.720
   69   2HA   GLY  11           HA2      GLY  11  13.643  -1.939   5.538
   70    H    CYS  12           HN       CYS  12  13.563  -2.935   3.383
   71    HA   CYS  12           HA       CYS  12  11.145  -2.402   1.810
   72   1HB   CYS  12           HB1      CYS  12  13.534  -4.282   1.261
   73   2HB   CYS  12           HB2      CYS  12  12.134  -4.038   0.169
   74    HG1  CYS  12           HG1      CYS  12  14.264  -1.729   1.266
   75    H    HIS  13           HN       HIS  13   9.582  -4.211   1.490
   76    HA   HIS  13           HA       HIS  13   9.953  -6.307   3.577
   77   1HB   HIS  13           HB1      HIS  13   7.385  -4.753   2.999
   78   2HB   HIS  13           HB2      HIS  13   7.548  -6.198   4.051
   79    HD2  HIS  13           HD2      HIS  13   8.754  -5.900   6.526
   80    HE1  HIS  13           HE1      HIS  13   9.261  -1.709   6.233
   81    HE2  HIS  13           HE2      HIS  13   9.399  -3.741   7.773
   82    H    TYR  14           HN       TYR  14   9.049  -5.463   0.298
   83    HA   TYR  14           HA       TYR  14   8.894  -8.263  -0.327
   84   1HB   TYR  14           HB1      TYR  14   6.572  -6.306  -0.793
   85   2HB   TYR  14           HB2      TYR  14   6.744  -7.639  -1.835
   86    HD1  TYR  14           HD1      TYR  14   7.518  -9.995  -0.247
   87    HD2  TYR  14           HD2      TYR  14   4.768  -6.873   0.741
   88    HE1  TYR  14           HE1      TYR  14   6.747 -11.311   1.650
   89    HE2  TYR  14           HE2      TYR  14   4.019  -8.178   2.684
   90    HH   TYR  14           HH       TYR  14   5.440 -11.360   3.489
   91    H    GLY  15           HN       GLY  15   7.939  -5.911  -2.658
   92   1HA   GLY  15           HA1      GLY  15  10.639  -6.138  -3.800
   93   2HA   GLY  15           HA2      GLY  15   9.105  -5.648  -4.584
   94    H    VAL  16           HN       VAL  16   8.869  -3.784  -1.921
   95    HA   VAL  16           HA       VAL  16  10.583  -1.638  -3.009
   96    HB   VAL  16           HB       VAL  16   7.641  -1.371  -2.264
   97   1HG1  VAL  16          HG21      VAL  16   9.368   0.652  -3.754
   98   2HG1  VAL  16          HG22      VAL  16   7.578   0.695  -3.515
   99   3HG1  VAL  16          HG23      VAL  16   8.644   0.821  -2.092
  100   1HG2  VAL  16          HG11      VAL  16   8.780  -1.484  -5.135
  101   2HG2  VAL  16          HG12      VAL  16   7.834  -2.775  -4.321
  102   3HG2  VAL  16          HG13      VAL  16   7.059  -1.205  -4.664
  103    H    LEU  17           HN       LEU  17  10.808   0.052  -1.672
  104    HA   LEU  17           HA       LEU  17  11.246  -0.343   1.077
  105   1HB   LEU  17           HB1      LEU  17  12.611   1.088  -0.521
  106   2HB   LEU  17           HB2      LEU  17  11.233   2.196  -0.657
  107    HG   LEU  17           HG       LEU  17  11.458   2.638   1.869
  108   1HD1  LEU  17          HD11      LEU  17  13.615   2.127   2.969
  109   2HD1  LEU  17          HD12      LEU  17  12.788   0.611   2.472
  110   3HD1  LEU  17          HD13      LEU  17  14.179   1.224   1.512
  111   1HD2  LEU  17          HD21      LEU  17  13.403   4.205   1.534
  112   2HD2  LEU  17          HD22      LEU  17  13.803   3.368  -0.004
  113   3HD2  LEU  17          HD23      LEU  17  12.241   4.251   0.161
  114    H    THR  18           HN       THR  18   9.287  -0.800   2.161
  115    HA   THR  18           HA       THR  18   7.154   1.247   2.056
  116    HB   THR  18           HB       THR  18   5.802  -1.108   2.840
  117    HG1  THR  18           HG1      THR  18   6.587  -2.839   1.715
  118   1HG2  THR  18          HG21      THR  18   5.015  -1.588   0.645
  119   2HG2  THR  18          HG22      THR  18   5.099   0.193   0.927
  120   3HG2  THR  18          HG23      THR  18   6.349  -0.619  -0.122
  121    H    CYS  19           HN       CYS  19   5.680   0.953   4.003
  122    HA   CYS  19           HA       CYS  19   7.422   1.023   6.281
  123   1HB   CYS  19           HB1      CYS  19   5.637   1.799   7.686
  124   2HB   CYS  19           HB2      CYS  19   5.897   2.814   6.331
  125    H    GLY  20           HN       GLY  20   5.904   0.068   8.379
  126   1HA   GLY  20           HA1      GLY  20   6.335  -2.730   8.239
  127   2HA   GLY  20           HA2      GLY  20   5.592  -1.764   9.568
  128    H    SER  21           HN       SER  21   3.384  -0.681   8.404
  129    HA   SER  21           HA       SER  21   1.612  -2.878   8.351
  130   1HB   SER  21           HB1      SER  21  -0.233  -1.249   8.153
  131   2HB   SER  21           HB2      SER  21   0.927  -0.828   9.451
  132    HG   SER  21           HG1      SER  21   1.903   0.616   7.960
  133    H    CYS  22           HN       CYS  22   2.990  -0.961   5.643
  134    HA   CYS  22           HA       CYS  22   1.093  -1.702   3.756
  135   1HB   CYS  22           HB1      CYS  22   3.841  -0.513   3.445
  136   2HB   CYS  22           HB2      CYS  22   2.904  -1.043   2.010
  137    H    LYS  23           HN       LYS  23   3.749  -3.384   5.035
  138    HA   LYS  23           HA       LYS  23   4.194  -5.315   3.120
  139   1HB   LYS  23           HB1      LYS  23   5.731  -5.044   5.043
  140   2HB   LYS  23           HB2      LYS  23   4.420  -5.432   6.171
  141   1HG   LYS  23           HG1      LYS  23   4.348  -7.811   5.104
  142   2HG   LYS  23           HG2      LYS  23   5.887  -7.389   4.306
  143   1HD   LYS  23           HD1      LYS  23   6.978  -7.084   6.486
  144   2HD   LYS  23           HD2      LYS  23   5.421  -7.214   7.355
  145   1HE   LYS  23           HE1      LYS  23   6.712  -9.519   5.726
  146   2HE   LYS  23           HE2      LYS  23   6.816  -9.315   7.517
  147   1HZ   LYS  23           HZ1      LYS  23   5.124 -10.838   6.899
  148   2HZ   LYS  23           HZ2      LYS  23   4.438  -9.466   7.626
  149   3HZ   LYS  23           HZ3      LYS  23   4.338  -9.675   5.944
  150    H    VAL  24           HN       VAL  24   2.406  -5.582   6.100
  151    HA   VAL  24           HA       VAL  24   1.166  -7.981   5.698
  152    HB   VAL  24           HB       VAL  24   0.277  -5.677   7.546
  153   1HG1  VAL  24          HG21      VAL  24   0.003  -8.713   8.014
  154   2HG1  VAL  24          HG22      VAL  24  -0.447  -7.386   9.164
  155   3HG1  VAL  24          HG23      VAL  24  -1.334  -7.570   7.611
  156   1HG2  VAL  24          HG11      VAL  24   2.549  -7.689   8.041
  157   2HG2  VAL  24          HG12      VAL  24   2.671  -5.893   7.878
  158   3HG2  VAL  24          HG13      VAL  24   1.834  -6.600   9.289
  159    H    PHE  25           HN       PHE  25   0.055  -4.792   5.048
  160    HA   PHE  25           HA       PHE  25  -2.631  -5.076   4.578
  161   1HB   PHE  25           HB1      PHE  25  -1.449  -2.924   4.860
  162   2HB   PHE  25           HB2      PHE  25  -0.412  -3.244   3.465
  163    HD1  PHE  25           HD1      PHE  25  -4.202  -3.087   4.107
  164    HD2  PHE  25           HD2      PHE  25  -0.821  -2.038   1.652
  165    HE1  PHE  25           HE1      PHE  25  -5.705  -1.952   2.495
  166    HE2  PHE  25           HE2      PHE  25  -2.284  -0.951   0.075
  167    HZ   PHE  25           HZ       PHE  25  -4.768  -0.932   0.434
  168    H    PHE  26           HN       PHE  26   0.043  -4.904   2.348
  169    HA   PHE  26           HA       PHE  26  -1.167  -5.649  -0.005
  170   1HB   PHE  26           HB1      PHE  26   0.964  -4.363   0.113
  171   2HB   PHE  26           HB2      PHE  26   1.771  -5.731   0.920
  172    HD1  PHE  26           HD1      PHE  26   0.121  -4.797  -2.373
  173    HD2  PHE  26           HD2      PHE  26   2.886  -7.339  -0.302
  174    HE1  PHE  26           HE1      PHE  26   1.028  -5.566  -4.527
  175    HE2  PHE  26           HE2      PHE  26   3.801  -8.102  -2.448
  176    HZ   PHE  26           HZ       PHE  26   2.849  -7.295  -4.574
  177    H    LYS  27           HN       LYS  27   0.612  -7.571   2.287
  178    HA   LYS  27           HA       LYS  27   0.679  -9.912   0.789
  179   1HB   LYS  27           HB1      LYS  27   2.407  -9.670   2.246
  180   2HB   LYS  27           HB2      LYS  27   1.363  -9.432   3.675
  181   1HG   LYS  27           HG1      LYS  27   1.402 -12.090   2.094
  182   2HG   LYS  27           HG2      LYS  27   2.704 -11.701   3.240
  183   1HD   LYS  27           HD1      LYS  27  -0.277 -11.945   3.992
  184   2HD   LYS  27           HD2      LYS  27   0.999 -13.164   4.253
  185   1HE   LYS  27           HE1      LYS  27   2.224 -11.564   5.789
  186   2HE   LYS  27           HE2      LYS  27   0.909 -10.349   5.559
  187   1HZ   LYS  27           HZ1      LYS  27   0.634 -11.605   7.538
  188   2HZ   LYS  27           HZ2      LYS  27  -0.637 -11.916   6.455
  189   3HZ   LYS  27           HZ3      LYS  27   0.594 -13.066   6.673
  190    H    ARG  28           HN       ARG  28  -1.834  -8.658   2.872
  191    HA   ARG  28           HA       ARG  28  -3.294 -11.163   2.766
  192   1HB   ARG  28           HB1      ARG  28  -3.148  -9.208   4.712
  193   2HB   ARG  28           HB2      ARG  28  -4.600  -8.658   3.861
  194   1HG   ARG  28           HG1      ARG  28  -5.309 -10.063   5.662
  195   2HG   ARG  28           HG2      ARG  28  -5.554 -11.049   4.187
  196   1HD   ARG  28           HD1      ARG  28  -3.468 -12.339   4.637
  197   2HD   ARG  28           HD2      ARG  28  -3.051 -11.273   6.028
  198    HE   ARG  28           HE       ARG  28  -5.351 -13.204   5.867
  199   1HH1  ARG  28          HH21      ARG  28  -4.899 -10.959   9.182
  200   2HH1  ARG  28          HH22      ARG  28  -3.803 -10.698   7.867
  201   1HH2  ARG  28          HH11      ARG  28  -6.492 -12.672   9.074
  202   2HH2  ARG  28          HH12      ARG  28  -6.587 -13.693   7.678
  203    H    ALA  29           HN       ALA  29  -3.245  -7.985   1.336
  204    HA   ALA  29           HA       ALA  29  -5.701  -8.054   0.020
  205   1HB   ALA  29           HB1      ALA  29  -4.851  -6.080  -1.272
  206   2HB   ALA  29           HB2      ALA  29  -4.454  -5.936   0.457
  207   3HB   ALA  29           HB3      ALA  29  -3.170  -6.449  -0.675
  208    H    VAL  30           HN       VAL  30  -2.544  -9.308  -0.876
  209    HA   VAL  30           HA       VAL  30  -3.210  -9.803  -3.631
  210    HB   VAL  30           HB       VAL  30  -0.718 -10.307  -1.945
  211   1HG1  VAL  30          HG21      VAL  30  -1.059 -10.660  -4.986
  212   2HG1  VAL  30          HG22      VAL  30   0.507 -10.750  -4.088
  213   3HG1  VAL  30          HG23      VAL  30  -0.779 -11.978  -3.774
  214   1HG2  VAL  30          HG11      VAL  30  -0.892  -8.274  -4.234
  215   2HG2  VAL  30          HG12      VAL  30  -1.329  -7.831  -2.555
  216   3HG2  VAL  30          HG13      VAL  30   0.319  -8.435  -2.901
  217    H    GLU  31           HN       GLU  31  -2.078 -11.664  -0.852
  218    HA   GLU  31           HA       GLU  31  -3.193 -14.137  -1.958
  219   1HB   GLU  31           HB1      GLU  31  -1.223 -13.671   0.305
  220   2HB   GLU  31           HB2      GLU  31  -2.085 -15.231   0.108
  221   1HG   GLU  31           HG1      GLU  31  -1.220 -15.452  -2.241
  222   2HG   GLU  31           HG2      GLU  31  -0.286 -13.941  -2.043
  223    H    GLY  32           HN       GLY  32  -5.116 -12.757  -1.704
  224   1HA   GLY  32           HA1      GLY  32  -6.903 -14.050  -0.006
  225   2HA   GLY  32           HA2      GLY  32  -6.638 -12.311   0.493
  226    H    GLN  33           HN       GLN  33  -8.121 -10.981  -0.558
  227    HA   GLN  33           HA       GLN  33  -8.088 -10.886  -3.352
  228   1HB   GLN  33           HB1      GLN  33 -10.421 -11.164  -3.881
  229   2HB   GLN  33           HB2      GLN  33  -9.732 -12.678  -3.256
  230   1HG   GLN  33           HG1      GLN  33 -11.661 -10.806  -1.713
  231   2HG   GLN  33           HG2      GLN  33 -12.075 -12.319  -2.542
  232   1HE2  GLN  33          HE21      GLN  33 -11.141 -10.994   0.473
  233   2HE2  GLN  33          HE22      GLN  33 -10.747 -12.464   1.301
  234    H    HIS  34           HN       HIS  34 -10.021 -10.104  -0.562
  235    HA   HIS  34           HA       HIS  34 -10.673  -8.367   0.468
  236   1HB   HIS  34           HB1      HIS  34  -8.181  -6.998  -0.590
  237   2HB   HIS  34           HB2      HIS  34  -9.358  -6.167   0.478
  238    HD2  HIS  34           HD2      HIS  34  -7.596  -9.772   0.715
  239    HE1  HIS  34           HE1      HIS  34  -7.709  -7.927   4.522
  240    HE2  HIS  34           HE2      HIS  34  -6.990 -10.000   3.213
  241    H    ASN  35           HN       ASN  35  -9.561  -6.086  -1.957
  242    HA   ASN  35           HA       ASN  35 -10.437  -4.929  -3.498
  243   1HB   ASN  35           HB1      ASN  35 -11.794  -6.993  -4.269
  244   2HB   ASN  35           HB2      ASN  35 -13.189  -6.303  -3.397
  245   1HD2  ASN  35          HD21      ASN  35 -11.933  -4.793  -7.058
  246   2HD2  ASN  35          HD22      ASN  35 -11.053  -6.029  -6.224
  247    H    TYR  36           HN       TYR  36 -10.262  -3.052  -2.468
  248    HA   TYR  36           HA       TYR  36 -12.078  -2.301  -0.375
  249   1HB   TYR  36           HB1      TYR  36  -9.712  -0.648  -1.309
  250   2HB   TYR  36           HB2      TYR  36 -10.570  -0.582   0.262
  251    HD1  TYR  36           HD1      TYR  36 -10.191  -2.321   1.912
  252    HD2  TYR  36           HD2      TYR  36  -7.977  -2.434  -1.793
  253    HE1  TYR  36           HE1      TYR  36  -8.551  -3.843   2.925
  254    HE2  TYR  36           HE2      TYR  36  -6.352  -3.939  -0.771
  255    HH   TYR  36           HH       TYR  36  -5.702  -5.030   1.095
  256    H    LEU  37           HN       LEU  37 -10.897   0.337  -2.299
  257    HA   LEU  37           HA       LEU  37 -13.537   0.801  -3.533
  258   1HB   LEU  37           HB1      LEU  37 -11.691   3.001  -2.446
  259   2HB   LEU  37           HB2      LEU  37 -13.296   3.165  -3.215
  260    HG   LEU  37           HG       LEU  37 -14.212   1.792  -1.182
  261   1HD1  LEU  37          HD11      LEU  37 -12.902   2.288   0.967
  262   2HD1  LEU  37          HD12      LEU  37 -12.129   1.062  -0.081
  263   3HD1  LEU  37          HD13      LEU  37 -11.497   2.746  -0.068
  264   1HD2  LEU  37          HD21      LEU  37 -14.511   3.911   0.107
  265   2HD2  LEU  37          HD22      LEU  37 -13.211   4.693  -0.867
  266   3HD2  LEU  37          HD23      LEU  37 -14.742   4.166  -1.658
  267    H    CYS  38           HN       CYS  38 -12.275   3.143  -4.634
  268    HA   CYS  38           HA       CYS  38 -11.849   3.572  -6.820
  269   1HB   CYS  38           HB1      CYS  38  -9.208   3.376  -5.274
  270   2HB   CYS  38           HB2      CYS  38  -9.326   4.166  -6.889
  271    H    ALA  39           HN       ALA  39 -12.555   1.316  -7.321
  272    HA   ALA  39           HA       ALA  39 -10.643  -0.338  -8.640
  273   1HB   ALA  39           HB1      ALA  39 -12.597  -1.849  -9.081
  274   2HB   ALA  39           HB2      ALA  39 -12.528  -1.362  -7.355
  275   3HB   ALA  39           HB3      ALA  39 -13.702  -0.559  -8.458
  276    H    GLY  40           HN       GLY  40 -12.634   2.321  -9.418
  277   1HA   GLY  40           HA1      GLY  40 -11.903   2.155 -12.214
  278   2HA   GLY  40           HA2      GLY  40 -13.667   2.059 -11.812
  279    H    ARG  41           HN       ARG  41 -11.428   3.993  -9.743
  280    HA   ARG  41           HA       ARG  41 -12.381   6.431 -11.057
  281   1HB   ARG  41           HB1      ARG  41 -12.008   5.998  -8.041
  282   2HB   ARG  41           HB2      ARG  41 -12.298   7.554  -8.886
  283   1HG   ARG  41           HG1      ARG  41 -14.432   5.850  -9.730
  284   2HG   ARG  41           HG2      ARG  41 -14.196   5.459  -8.004
  285   1HD   ARG  41           HD1      ARG  41 -14.616   8.316  -9.151
  286   2HD   ARG  41           HD2      ARG  41 -15.911   7.282  -8.417
  287    HE   ARG  41           HE       ARG  41 -13.435   8.069  -6.895
  288   1HH1  ARG  41          HH21      ARG  41 -16.880  10.038  -6.227
  289   2HH1  ARG  41          HH22      ARG  41 -16.879   8.791  -7.430
  290   1HH2  ARG  41          HH11      ARG  41 -14.974  10.448  -4.945
  291   2HH2  ARG  41          HH12      ARG  41 -13.534   9.513  -5.181
  292    H    ASN  42           HN       ASN  42 -10.255   5.826  -8.395
  293    HA   ASN  42           HA       ASN  42  -8.160   5.998  -7.956
  294   1HB   ASN  42           HB1      ASN  42  -7.658   4.353  -9.757
  295   2HB   ASN  42           HB2      ASN  42  -7.520   5.671 -10.943
  296   1HD2  ASN  42          HD21      ASN  42  -4.516   5.137  -8.092
  297   2HD2  ASN  42          HD22      ASN  42  -6.166   4.666  -7.781
  298    H    ASP  43           HN       ASP  43  -9.080   7.987  -7.298
  299    HA   ASP  43           HA       ASP  43  -8.189  10.366  -8.827
  300   1HB   ASP  43           HB1      ASP  43  -9.651  11.650  -7.065
  301   2HB   ASP  43           HB2      ASP  43 -10.406  10.875  -8.493
  302    H    CYS  44           HN       CYS  44  -8.659   9.306  -5.365
  303    HA   CYS  44           HA       CYS  44  -7.261  11.289  -4.422
  304   1HB   CYS  44           HB1      CYS  44  -7.141   9.292  -2.350
  305   2HB   CYS  44           HB2      CYS  44  -8.328  10.572  -2.642
  306    H    ILE  45           HN       ILE  45  -5.197  11.509  -3.340
  307    HA   ILE  45           HA       ILE  45  -3.063   9.736  -4.308
  308    HB   ILE  45           HB       ILE  45  -2.979  12.510  -2.980
  309   1HG1  ILE  45          HG11      ILE  45  -3.818  12.720  -5.247
  310   2HG1  ILE  45          HG12      ILE  45  -2.176  13.400  -5.121
  311   1HG2  ILE  45          HG21      ILE  45  -0.523  12.557  -3.527
  312   2HG2  ILE  45          HG22      ILE  45  -0.931  11.309  -2.306
  313   3HG2  ILE  45          HG23      ILE  45  -0.606  10.822  -4.008
  314   1HD1  ILE  45           HD1      ILE  45  -2.443  12.159  -7.251
  315   2HD1  ILE  45           HD2      ILE  45  -1.232  11.318  -6.219
  316   3HD1  ILE  45           HD3      ILE  45  -2.905  10.660  -6.371
  317    H    ILE  46           HN       ILE  46  -1.860   8.603  -2.769
  318    HA   ILE  46           HA       ILE  46  -2.903   8.654  -0.016
  319    HB   ILE  46           HB       ILE  46  -2.501   6.495  -1.975
  320   1HG1  ILE  46          HG11      ILE  46  -4.153   5.335  -0.780
  321   2HG1  ILE  46          HG12      ILE  46  -3.876   6.242   0.748
  322   1HG2  ILE  46          HG21      ILE  46  -1.842   4.734  -0.337
  323   2HG2  ILE  46          HG22      ILE  46  -0.508   5.795  -0.865
  324   3HG2  ILE  46          HG23      ILE  46  -1.215   6.001   0.785
  325   1HD1  ILE  46           HD1      ILE  46  -6.009   6.751  -0.510
  326   2HD1  ILE  46           HD2      ILE  46  -5.001   8.201  -0.155
  327   3HD1  ILE  46           HD3      ILE  46  -5.014   7.474  -1.827
  328    H    ASP  47           HN       ASP  47  -1.662   9.389   1.384
  329    HA   ASP  47           HA       ASP  47   1.149   9.003   1.326
  330   1HB   ASP  47           HB1      ASP  47   1.860  11.295   1.585
  331   2HB   ASP  47           HB2      ASP  47   1.174  10.985  -0.019
  332    H    LYS  48           HN       LYS  48   1.628  10.654   3.535
  333    HA   LYS  48           HA       LYS  48   0.822   8.955   5.518
  334   1HB   LYS  48           HB1      LYS  48   2.865  10.551   5.142
  335   2HB   LYS  48           HB2      LYS  48   1.960  11.745   6.068
  336   1HG   LYS  48           HG1      LYS  48   2.637   8.888   7.071
  337   2HG   LYS  48           HG2      LYS  48   3.755  10.267   7.233
  338   1HD   LYS  48           HD1      LYS  48   1.061   9.891   8.656
  339   2HD   LYS  48           HD2      LYS  48   2.695   9.932   9.348
  340   1HE   LYS  48           HE1      LYS  48   2.929  12.374   8.721
  341   2HE   LYS  48           HE2      LYS  48   1.250  12.354   8.055
  342   1HZ   LYS  48           HZ1      LYS  48   1.330  13.195  10.260
  343   2HZ   LYS  48           HZ2      LYS  48   0.453  11.741  10.212
  344   3HZ   LYS  48           HZ3      LYS  48   2.031  11.761  10.842
  345    H    ILE  49           HN       ILE  49  -0.887  11.681   4.383
  346    HA   ILE  49           HA       ILE  49  -2.479  11.920   6.846
  347    HB   ILE  49           HB       ILE  49  -1.829  13.833   4.562
  348   1HG1  ILE  49          HG11      ILE  49  -0.007  13.711   6.163
  349   2HG1  ILE  49          HG12      ILE  49  -0.810  15.298   6.235
  350   1HG2  ILE  49          HG21      ILE  49  -3.205  15.588   5.683
  351   2HG2  ILE  49          HG22      ILE  49  -4.146  14.176   5.067
  352   3HG2  ILE  49          HG23      ILE  49  -3.834  14.338   6.838
  353   1HD1  ILE  49           HD1      ILE  49  -2.018  14.596   8.348
  354   2HD1  ILE  49           HD2      ILE  49  -1.171  13.004   8.287
  355   3HD1  ILE  49           HD3      ILE  49  -0.227  14.518   8.513
  356    H    ARG  50           HN       ARG  50  -2.592  11.853   3.363
  357    HA   ARG  50           HA       ARG  50  -5.400  11.703   3.088
  358   1HB   ARG  50           HB1      ARG  50  -3.201  11.003   1.082
  359   2HB   ARG  50           HB2      ARG  50  -4.932  11.281   0.680
  360   1HG   ARG  50           HG1      ARG  50  -3.255  13.521   1.971
  361   2HG   ARG  50           HG2      ARG  50  -3.108  13.107   0.250
  362   1HD   ARG  50           HD1      ARG  50  -4.684  14.850   0.187
  363   2HD   ARG  50           HD2      ARG  50  -5.673  13.359   0.029
  364    HE   ARG  50           HE       ARG  50  -6.375  13.602   2.331
  365   1HH1  ARG  50          HH21      ARG  50  -4.273  16.933   3.175
  366   2HH1  ARG  50          HH22      ARG  50  -4.006  16.160   1.648
  367   1HH2  ARG  50          HH11      ARG  50  -5.934  16.146   4.626
  368   2HH2  ARG  50          HH12      ARG  50  -6.911  14.784   4.185
  369    H    ARG  51           HN       ARG  51  -3.313   9.402   4.145
  370    HA   ARG  51           HA       ARG  51  -3.981   7.013   2.922
  371   1HB   ARG  51           HB1      ARG  51  -2.016   6.908   4.139
  372   2HB   ARG  51           HB2      ARG  51  -2.661   7.907   5.474
  373   1HG   ARG  51           HG1      ARG  51  -3.876   5.928   6.379
  374   2HG   ARG  51           HG2      ARG  51  -3.260   4.914   5.037
  375   1HD   ARG  51           HD1      ARG  51  -0.922   5.235   5.807
  376   2HD   ARG  51           HD2      ARG  51  -1.449   6.391   7.086
  377    HE   ARG  51           HE       ARG  51  -2.061   3.447   6.960
  378   1HH1  ARG  51          HH21      ARG  51  -3.604   5.658   9.955
  379   2HH1  ARG  51          HH22      ARG  51  -2.665   6.467   8.745
  380   1HH2  ARG  51          HH11      ARG  51  -3.832   3.328   9.913
  381   2HH2  ARG  51          HH12      ARG  51  -3.064   2.393   8.673
  382    H    LYS  52           HN       LYS  52  -5.543   8.755   5.613
  383    HA   LYS  52           HA       LYS  52  -7.255   6.586   6.259
  384   1HB   LYS  52           HB1      LYS  52  -5.981   8.543   7.702
  385   2HB   LYS  52           HB2      LYS  52  -7.591   9.266   7.610
  386   1HG   LYS  52           HG1      LYS  52  -6.862   6.460   8.712
  387   2HG   LYS  52           HG2      LYS  52  -7.154   7.937   9.666
  388   1HD   LYS  52           HD1      LYS  52  -9.170   6.872   9.949
  389   2HD   LYS  52           HD2      LYS  52  -9.558   7.951   8.582
  390   1HE   LYS  52           HE1      LYS  52  -9.185   5.913   7.000
  391   2HE   LYS  52           HE2      LYS  52  -8.912   4.911   8.469
  392   1HZ   LYS  52           HZ1      LYS  52 -11.352   6.437   7.791
  393   2HZ   LYS  52           HZ2      LYS  52 -11.130   4.757   7.695
  394   3HZ   LYS  52           HZ3      LYS  52 -11.110   5.531   9.206
  395    H    ASN  53           HN       ASN  53  -7.403   8.247   3.628
  396    HA   ASN  53           HA       ASN  53 -10.152   9.183   3.785
  397   1HB   ASN  53           HB1      ASN  53  -8.080   9.551   1.515
  398   2HB   ASN  53           HB2      ASN  53  -9.761  10.139   1.482
  399   1HD2  ASN  53          HD21      ASN  53  -7.858  13.126   2.261
  400   2HD2  ASN  53          HD22      ASN  53  -8.230  12.059   0.946
  401    H    CYS  54           HN       CYS  54  -7.857   6.876   2.309
  402    HA   CYS  54           HA       CYS  54 -10.041   5.234   1.364
  403   1HB   CYS  54           HB1      CYS  54  -9.915   6.887  -0.410
  404   2HB   CYS  54           HB2      CYS  54  -8.148   6.831  -0.447
  405    HA   PRO  55           HA       PRO  55  -6.359   2.571   1.946
  406   1HB   PRO  55           HB1      PRO  55  -7.562   0.399   2.998
  407   2HB   PRO  55           HB2      PRO  55  -7.506   1.894   3.894
  408   1HG   PRO  55           HG1      PRO  55  -9.810   0.886   2.211
  409   2HG   PRO  55           HG2      PRO  55  -9.858   1.451   3.876
  410   1HD   PRO  55           HD1      PRO  55 -10.409   3.093   1.714
  411   2HD   PRO  55           HD2      PRO  55  -9.726   3.706   3.220
  412    H    ALA  56           HN       ALA  56  -7.955   2.951  -0.734
  413    HA   ALA  56           HA       ALA  56  -7.823   0.265  -1.805
  414   1HB   ALA  56           HB1      ALA  56  -9.222   1.007  -3.582
  415   2HB   ALA  56           HB2      ALA  56  -9.947   1.711  -2.067
  416   3HB   ALA  56           HB3      ALA  56  -9.027   2.737  -3.179
  417    H    CYS  57           HN       CYS  57  -7.073   3.692  -2.568
  418    HA   CYS  57           HA       CYS  57  -5.379   3.381  -4.636
  419   1HB   CYS  57           HB1      CYS  57  -5.689   5.447  -2.440
  420   2HB   CYS  57           HB2      CYS  57  -4.500   5.694  -3.721
  421    H    ARG  58           HN       ARG  58  -4.623   3.073  -1.256
  422    HA   ARG  58           HA       ARG  58  -1.904   3.131  -1.347
  423   1HB   ARG  58           HB1      ARG  58  -3.514   1.164   0.425
  424   2HB   ARG  58           HB2      ARG  58  -1.843   1.742   0.727
  425   1HG   ARG  58           HG1      ARG  58  -3.469   4.067   0.571
  426   2HG   ARG  58           HG2      ARG  58  -4.477   2.902   1.406
  427   1HD   ARG  58           HD1      ARG  58  -1.607   3.722   2.210
  428   2HD   ARG  58           HD2      ARG  58  -3.110   4.324   2.995
  429    HE   ARG  58           HE       ARG  58  -2.019   1.514   3.077
  430   1HH1  ARG  58          HH21      ARG  58  -5.509   2.294   4.925
  431   2HH1  ARG  58          HH22      ARG  58  -4.748   3.585   4.057
  432   1HH2  ARG  58          HH11      ARG  58  -4.447   0.217   5.135
  433   2HH2  ARG  58          HH12      ARG  58  -2.892  -0.046   4.419
  434    H    TYR  59           HN       TYR  59  -4.151   0.471  -2.122
  435    HA   TYR  59           HA       TYR  59  -2.133  -1.549  -2.204
  436   1HB   TYR  59           HB1      TYR  59  -4.536  -2.018  -1.652
  437   2HB   TYR  59           HB2      TYR  59  -5.001  -1.523  -3.301
  438    HD1  TYR  59           HD2      TYR  59  -1.916  -3.665  -2.828
  439    HD2  TYR  59           HD1      TYR  59  -6.149  -3.601  -3.623
  440    HE1  TYR  59           HE2      TYR  59  -1.794  -5.977  -3.696
  441    HE2  TYR  59           HE1      TYR  59  -6.022  -5.921  -4.442
  442    HH   TYR  59           HH       TYR  59  -4.701  -7.654  -4.943
  443    H    ARG  60           HN       ARG  60  -3.822   0.577  -4.491
  444    HA   ARG  60           HA       ARG  60  -2.692  -0.383  -6.832
  445   1HB   ARG  60           HB1      ARG  60  -3.865   2.393  -6.293
  446   2HB   ARG  60           HB2      ARG  60  -3.618   1.648  -7.904
  447   1HG   ARG  60           HG1      ARG  60  -5.253  -0.169  -7.322
  448   2HG   ARG  60           HG2      ARG  60  -5.450   0.512  -5.692
  449   1HD   ARG  60           HD1      ARG  60  -7.367   1.249  -6.887
  450   2HD   ARG  60           HD2      ARG  60  -6.307   2.696  -6.743
  451    HE   ARG  60           HE       ARG  60  -5.658   2.437  -9.062
  452   1HH1  ARG  60          HH21      ARG  60  -7.780  -0.898  -9.842
  453   2HH1  ARG  60          HH22      ARG  60  -7.814  -0.268  -8.228
  454   1HH2  ARG  60          HH11      ARG  60  -6.647   0.253 -11.537
  455   2HH2  ARG  60          HH12      ARG  60  -5.832   1.742 -11.194
  456    H    LYS  61           HN       LYS  61  -1.661   2.103  -4.552
  457    HA   LYS  61           HA       LYS  61   0.297   3.249  -6.119
  458   1HB   LYS  61           HB1      LYS  61  -0.949   4.394  -4.277
  459   2HB   LYS  61           HB2      LYS  61  -0.273   3.244  -3.110
  460   1HG   LYS  61           HG1      LYS  61   1.025   5.024  -2.687
  461   2HG   LYS  61           HG2      LYS  61   2.080   4.279  -3.913
  462   1HD   LYS  61           HD1      LYS  61   0.169   6.691  -4.229
  463   2HD   LYS  61           HD2      LYS  61   1.951   6.706  -4.199
  464   1HE   LYS  61           HE1      LYS  61   1.469   6.992  -6.494
  465   2HE   LYS  61           HE2      LYS  61   1.836   5.231  -6.399
  466   1HZ   LYS  61           HZ1      LYS  61  -0.847   6.493  -6.397
  467   2HZ   LYS  61           HZ2      LYS  61  -0.095   5.701  -7.698
  468   3HZ   LYS  61           HZ3      LYS  61  -0.529   4.828  -6.307
  469    H    CYS  62           HN       CYS  62   0.491   0.901  -3.508
  470    HA   CYS  62           HA       CYS  62   3.233   0.596  -3.584
  471   1HB   CYS  62           HB1      CYS  62   3.050  -1.101  -1.978
  472   2HB   CYS  62           HB2      CYS  62   1.790   0.080  -1.654
  473    HG1  CYS  62           HG1      CYS  62   0.931  -2.255  -1.007
  474    H    LEU  63           HN       LEU  63   0.694  -1.061  -5.410
  475    HA   LEU  63           HA       LEU  63   2.287  -2.977  -6.646
  476   1HB   LEU  63           HB1      LEU  63  -0.401  -1.678  -7.319
  477   2HB   LEU  63           HB2      LEU  63   0.329  -2.806  -8.494
  478    HG   LEU  63           HG       LEU  63  -0.226  -3.605  -5.589
  479   1HD1  LEU  63          HD11      LEU  63  -2.290  -4.726  -6.423
  480   2HD1  LEU  63          HD12      LEU  63  -2.377  -2.947  -6.683
  481   3HD1  LEU  63          HD13      LEU  63  -2.019  -4.041  -8.066
  482   1HD2  LEU  63          HD21      LEU  63  -0.075  -5.933  -6.515
  483   2HD2  LEU  63          HD22      LEU  63   0.321  -5.266  -8.140
  484   3HD2  LEU  63          HD23      LEU  63   1.460  -5.026  -6.766
  485    H    GLN  64           HN       GLN  64   1.404   0.388  -7.582
  486    HA   GLN  64           HA       GLN  64   2.565   0.423 -10.049
  487   1HB   GLN  64           HB1      GLN  64   0.826   1.938  -9.141
  488   2HB   GLN  64           HB2      GLN  64   1.997   2.699  -8.054
  489   1HG   GLN  64           HG1      GLN  64   2.388   2.654 -11.118
  490   2HG   GLN  64           HG2      GLN  64   1.255   3.810 -10.347
  491   1HE2  GLN  64          HE21      GLN  64   4.352   3.670 -11.543
  492   2HE2  GLN  64          HE22      GLN  64   5.120   4.875 -10.564
  493    H    ALA  65           HN       ALA  65   3.802   0.935  -6.858
  494    HA   ALA  65           HA       ALA  65   6.276   2.011  -7.471
  495   1HB   ALA  65           HB1      ALA  65   6.914   1.726  -5.180
  496   2HB   ALA  65           HB2      ALA  65   5.191   2.212  -5.226
  497   3HB   ALA  65           HB3      ALA  65   5.611   0.498  -4.908
  498    H    GLY  66           HN       GLY  66   5.232  -1.309  -7.144
  499   1HA   GLY  66           HA1      GLY  66   6.237  -2.796  -8.701
  500   2HA   GLY  66           HA2      GLY  66   7.859  -2.208  -8.197
  501    H    MET  67           HN       MET  67   5.259  -2.758  -5.870
  502    HA   MET  67           HA       MET  67   6.788  -4.445  -4.262
  503   1HB   MET  67           HB1      MET  67   3.802  -3.884  -4.350
  504   2HB   MET  67           HB2      MET  67   4.460  -5.054  -3.174
  505   1HG   MET  67           HG1      MET  67   5.446  -2.145  -3.332
  506   2HG   MET  67           HG2      MET  67   4.075  -2.712  -2.337
  507   1HE   MET  67           HE1      MET  67   4.098  -3.756  -0.129
  508   2HE   MET  67           HE2      MET  67   5.464  -4.674   0.599
  509   3HE   MET  67           HE3      MET  67   4.625  -5.331  -0.847
  510    H    ASN  68           HN       ASN  68   6.586  -6.819  -3.757
  511    HA   ASN  68           HA       ASN  68   4.840  -8.350  -5.404
  512   1HB   ASN  68           HB1      ASN  68   7.059  -7.779  -6.896
  513   2HB   ASN  68           HB2      ASN  68   7.783  -9.083  -5.951
  514   1HD2  ASN  68          HD21      ASN  68   4.653  -9.913  -8.577
  515   2HD2  ASN  68          HD22      ASN  68   4.781  -8.367  -7.778
  516    H    LEU  69           HN       LEU  69   4.263 -10.026  -4.263
  517    HA   LEU  69           HA       LEU  69   5.632 -10.548  -1.795
  518   1HB   LEU  69           HB1      LEU  69   3.444 -10.016  -1.463
  519   2HB   LEU  69           HB2      LEU  69   2.891 -10.899  -2.926
  520    HG   LEU  69           HG       LEU  69   3.203 -13.089  -1.649
  521   1HD1  LEU  69          HD11      LEU  69   3.323 -13.017   0.826
  522   2HD1  LEU  69          HD12      LEU  69   4.807 -12.293   0.115
  523   3HD1  LEU  69          HD13      LEU  69   3.518 -11.225   0.788
  524   1HD2  LEU  69          HD21      LEU  69   1.093 -12.681  -0.251
  525   2HD2  LEU  69          HD22      LEU  69   1.207 -10.959  -0.780
  526   3HD2  LEU  69          HD23      LEU  69   1.026 -12.246  -2.001
  527    H    GLU  70           HN       GLU  70   6.775 -11.300  -4.285
  528    HA   GLU  70           HA       GLU  70   7.937 -13.730  -3.592
  529   1HB   GLU  70           HB1      GLU  70   6.490 -13.605  -6.310
  530   2HB   GLU  70           HB2      GLU  70   7.676 -14.865  -5.809
  531   1HG   GLU  70           HG1      GLU  70   6.040 -15.561  -3.957
  532   2HG   GLU  70           HG2      GLU  70   4.831 -14.424  -4.653
  533    H    ALA  71           HN       ALA  71   8.690 -11.235  -3.457
  534    HA   ALA  71           HA       ALA  71  10.076 -10.333  -5.849
  535   1HB   ALA  71           HB1      ALA  71  10.695  -8.330  -4.350
  536   2HB   ALA  71           HB2      ALA  71   8.958  -8.555  -4.545
  537   3HB   ALA  71           HB3      ALA  71   9.733  -9.128  -3.043
  538    H    ARG  72           HN       ARG  72  12.355  -9.198  -4.826
  539    HA   ARG  72           HA       ARG  72  13.841 -11.103  -3.236
  540   1HB   ARG  72           HB1      ARG  72  15.782 -10.941  -4.974
  541   2HB   ARG  72           HB2      ARG  72  14.458 -12.089  -5.257
  542   1HG   ARG  72           HG1      ARG  72  15.113 -10.997  -7.331
  543   2HG   ARG  72           HG2      ARG  72  13.405 -10.661  -6.934
  544   1HD   ARG  72           HD1      ARG  72  13.991  -8.335  -6.206
  545   2HD   ARG  72           HD2      ARG  72  15.754  -8.682  -6.485
  546    HE   ARG  72           HE       ARG  72  13.684  -8.921  -8.659
  547   1HH1  ARG  72          HH21      ARG  72  16.014  -5.644  -8.508
  548   2HH1  ARG  72          HH22      ARG  72  16.200  -6.832  -7.259
  549   1HH2  ARG  72          HH11      ARG  72  13.649  -7.503 -10.391
  550   2HH2  ARG  72          HH12      ARG  72  14.555  -6.028 -10.299
   
  No H/Q in entry =         550
  Start of MODEL   24
    1   1H    LEU   1           HT1      LEU   1  12.086   4.498   3.851
    2   2H    LEU   1           HT2      LEU   1  12.586   5.115   2.351
    3   3H    LEU   1           HT3      LEU   1  12.784   6.043   3.758
    4    HA   LEU   1           HA       LEU   1  10.441   6.154   4.048
    5   1HB   LEU   1           HB1      LEU   1  11.303   6.990   1.202
    6   2HB   LEU   1           HB2      LEU   1   9.881   7.633   2.076
    7    HG   LEU   1           HG       LEU   1  12.823   8.010   2.880
    8   1HD1  LEU   1          HD11      LEU   1  12.506  10.368   2.182
    9   2HD1  LEU   1          HD12      LEU   1  12.208   9.240   0.814
   10   3HD1  LEU   1          HD13      LEU   1  10.817  10.009   1.662
   11   1HD2  LEU   1          HD21      LEU   1  11.460   8.012   4.917
   12   2HD2  LEU   1          HD22      LEU   1  11.950   9.694   4.537
   13   3HD2  LEU   1          HD23      LEU   1  10.266   9.152   4.183
   14    H    CYS   2           HN       CYS   2   8.363   5.402   3.606
   15    HA   CYS   2           HA       CYS   2   7.870   3.133   2.102
   16   1HB   CYS   2           HB1      CYS   2   6.669   3.666   4.234
   17   2HB   CYS   2           HB2      CYS   2   5.954   5.146   3.422
   18    H    LEU   3           HN       LEU   3   7.019   3.015  -0.020
   19    HA   LEU   3           HA       LEU   3   7.008   5.596  -1.326
   20   1HB   LEU   3           HB1      LEU   3   7.604   2.786  -2.246
   21   2HB   LEU   3           HB2      LEU   3   7.508   4.137  -3.437
   22    HG   LEU   3           HG       LEU   3   9.400   4.116  -1.032
   23   1HD1  LEU   3          HD11      LEU   3  11.270   3.645  -2.660
   24   2HD1  LEU   3          HD12      LEU   3  10.112   2.288  -2.506
   25   3HD1  LEU   3          HD13      LEU   3  10.049   3.358  -3.956
   26   1HD2  LEU   3          HD21      LEU   3  10.599   5.968  -2.220
   27   2HD2  LEU   3          HD22      LEU   3   9.343   5.948  -3.514
   28   3HD2  LEU   3          HD23      LEU   3   8.905   6.409  -1.827
   29    H    VAL   4           HN       VAL   4   4.902   4.203   0.054
   30    HA   VAL   4           HA       VAL   4   2.866   3.975  -2.056
   31    HB   VAL   4           HB       VAL   4   2.804   2.572   0.640
   32   1HG1  VAL   4          HG21      VAL   4   1.079   2.056  -1.821
   33   2HG1  VAL   4          HG22      VAL   4   0.992   1.221  -0.221
   34   3HG1  VAL   4          HG23      VAL   4   0.598   2.971  -0.350
   35   1HG2  VAL   4          HG11      VAL   4   3.821   1.473  -2.011
   36   2HG2  VAL   4          HG12      VAL   4   4.719   1.702  -0.478
   37   3HG2  VAL   4          HG13      VAL   4   3.415   0.466  -0.556
   38    H    CYS   5           HN       CYS   5   3.234   4.603   1.427
   39    HA   CYS   5           HA       CYS   5   1.031   6.573   1.193
   40   1HB   CYS   5           HB1      CYS   5   0.245   6.169   3.363
   41   2HB   CYS   5           HB2      CYS   5   0.310   4.655   2.467
   42    H    SER   6           HN       SER   6   4.035   6.445   0.927
   43    HA   SER   6           HA       SER   6   5.814   7.708   1.294
   44   1HB   SER   6           HB1      SER   6   3.953  10.014   0.952
   45   2HB   SER   6           HB2      SER   6   5.622   9.824   0.272
   46    HG   SER   6           HG1      SER   6   4.673   8.145  -0.999
   47    H    ASP   7           HN       ASP   7   5.719   6.908   3.580
   48    HA   ASP   7           HA       ASP   7   5.966   9.160   5.490
   49   1HB   ASP   7           HB1      ASP   7   3.881   7.596   5.691
   50   2HB   ASP   7           HB2      ASP   7   4.978   6.226   5.888
   51    H    GLU   8           HN       GLU   8   7.570   8.254   7.322
   52    HA   GLU   8           HA       GLU   8   9.853   7.236   6.128
   53   1HB   GLU   8           HB1      GLU   8   9.848   6.959   9.088
   54   2HB   GLU   8           HB2      GLU   8  11.033   7.648   7.964
   55   1HG   GLU   8           HG1      GLU   8  10.345   9.473   9.287
   56   2HG   GLU   8           HG2      GLU   8   9.473   9.720   7.747
   57    H    ALA   9           HN       ALA   9  10.379   5.149   5.565
   58    HA   ALA   9           HA       ALA   9   8.640   3.029   6.401
   59   1HB   ALA   9           HB1      ALA   9  10.348   1.631   4.915
   60   2HB   ALA   9           HB2      ALA   9   9.223   2.740   4.100
   61   3HB   ALA   9           HB3      ALA   9  10.942   3.231   4.410
   62    H    SER  10           HN       SER  10   9.379   1.012   7.273
   63    HA   SER  10           HA       SER  10  11.397   1.370   9.341
   64   1HB   SER  10           HB1      SER  10   9.269  -0.819   8.968
   65   2HB   SER  10           HB2      SER  10  10.364  -0.632  10.389
   66    HG   SER  10           HG1      SER  10   9.436   1.457  10.650
   67    H    GLY  11           HN       GLY  11  11.213   0.182   6.167
   68   1HA   GLY  11           HA1      GLY  11  13.693  -0.771   5.968
   69   2HA   GLY  11           HA2      GLY  11  12.703  -2.219   6.458
   70    H    CYS  12           HN       CYS  12  12.891  -3.257   4.470
   71    HA   CYS  12           HA       CYS  12  11.121  -2.243   2.387
   72   1HB   CYS  12           HB1      CYS  12  12.626  -3.348   0.649
   73   2HB   CYS  12           HB2      CYS  12  13.238  -1.823   1.315
   74    HG1  CYS  12           HG1      CYS  12  14.093  -4.857   2.354
   75    H    HIS  13           HN       HIS  13   9.855  -4.000   1.483
   76    HA   HIS  13           HA       HIS  13  10.313  -6.636   2.617
   77   1HB   HIS  13           HB1      HIS  13   7.662  -5.111   3.098
   78   2HB   HIS  13           HB2      HIS  13   8.043  -6.796   3.590
   79    HD2  HIS  13           HD2      HIS  13   8.395  -3.089   4.795
   80    HE1  HIS  13           HE1      HIS  13  10.374  -5.546   7.612
   81    HE2  HIS  13           HE2      HIS  13   9.501  -3.198   7.112
   82    H    TYR  14           HN       TYR  14   9.758  -8.067   1.017
   83    HA   TYR  14           HA       TYR  14   8.888  -8.926  -0.726
   84   1HB   TYR  14           HB1      TYR  14   6.795  -6.694  -0.978
   85   2HB   TYR  14           HB2      TYR  14   6.708  -8.198  -1.780
   86    HD1  TYR  14           HD1      TYR  14   7.506 -10.345   0.110
   87    HD2  TYR  14           HD2      TYR  14   5.007  -6.922   0.659
   88    HE1  TYR  14           HE1      TYR  14   6.762 -11.267   2.236
   89    HE2  TYR  14           HE2      TYR  14   4.213  -7.873   2.770
   90    HH   TYR  14           HH       TYR  14   4.426  -9.467   4.301
   91    H    GLY  15           HN       GLY  15   8.120  -6.235  -2.677
   92   1HA   GLY  15           HA1      GLY  15  10.785  -6.513  -3.901
   93   2HA   GLY  15           HA2      GLY  15   9.256  -5.940  -4.624
   94    H    VAL  16           HN       VAL  16   9.061  -4.084  -1.942
   95    HA   VAL  16           HA       VAL  16  10.899  -2.035  -3.021
   96    HB   VAL  16           HB       VAL  16   7.953  -1.611  -2.395
   97   1HG1  VAL  16          HG21      VAL  16   9.907   0.265  -3.799
   98   2HG1  VAL  16          HG22      VAL  16   8.111   0.408  -3.828
   99   3HG1  VAL  16          HG23      VAL  16   8.956   0.529  -2.267
  100   1HG2  VAL  16          HG11      VAL  16   9.169  -1.918  -5.215
  101   2HG2  VAL  16          HG12      VAL  16   8.100  -3.100  -4.384
  102   3HG2  VAL  16          HG13      VAL  16   7.460  -1.490  -4.818
  103    H    LEU  17           HN       LEU  17  11.109  -0.251  -1.757
  104    HA   LEU  17           HA       LEU  17  11.416  -0.534   1.016
  105   1HB   LEU  17           HB1      LEU  17  12.829   0.845  -0.654
  106   2HB   LEU  17           HB2      LEU  17  11.510   2.031  -0.685
  107    HG   LEU  17           HG       LEU  17  11.842   2.271   1.880
  108   1HD1  LEU  17          HD11      LEU  17  14.021   1.598   2.839
  109   2HD1  LEU  17          HD12      LEU  17  13.132   0.146   2.265
  110   3HD1  LEU  17          HD13      LEU  17  14.492   0.797   1.293
  111   1HD2  LEU  17          HD21      LEU  17  13.795   3.806   1.609
  112   2HD2  LEU  17          HD22      LEU  17  14.182   3.052   0.020
  113   3HD2  LEU  17          HD23      LEU  17  12.648   3.968   0.229
  114    H    THR  18           HN       THR  18   9.418  -0.919   2.032
  115    HA   THR  18           HA       THR  18   7.324   1.165   1.806
  116    HB   THR  18           HB       THR  18   5.908  -1.079   2.708
  117    HG1  THR  18           HG1      THR  18   7.781  -2.333   2.743
  118   1HG2  THR  18          HG21      THR  18   5.186  -1.699   0.472
  119   2HG2  THR  18          HG22      THR  18   5.258   0.088   0.732
  120   3HG2  THR  18          HG23      THR  18   6.537  -0.733  -0.266
  121    H    CYS  19           HN       CYS  19   5.851   1.002   3.791
  122    HA   CYS  19           HA       CYS  19   7.630   1.341   6.000
  123   1HB   CYS  19           HB1      CYS  19   5.896   2.158   7.400
  124   2HB   CYS  19           HB2      CYS  19   6.045   3.036   5.946
  125    H    GLY  20           HN       GLY  20   5.991   0.481   8.203
  126   1HA   GLY  20           HA1      GLY  20   6.589  -2.331   8.279
  127   2HA   GLY  20           HA2      GLY  20   5.834  -1.285   9.543
  128    H    SER  21           HN       SER  21   3.681  -0.263   8.238
  129    HA   SER  21           HA       SER  21   1.824  -2.353   8.397
  130   1HB   SER  21           HB1      SER  21   1.526   0.088   9.107
  131   2HB   SER  21           HB2      SER  21   1.280   0.497   7.379
  132    HG   SER  21           HG1      SER  21  -0.636   0.112   8.571
  133    H    CYS  22           HN       CYS  22   3.172  -0.652   5.493
  134    HA   CYS  22           HA       CYS  22   1.237  -1.561   3.719
  135   1HB   CYS  22           HB1      CYS  22   3.951  -0.351   3.210
  136   2HB   CYS  22           HB2      CYS  22   2.902  -0.925   1.870
  137    H    LYS  23           HN       LYS  23   3.991  -3.069   4.999
  138    HA   LYS  23           HA       LYS  23   4.395  -5.123   3.227
  139   1HB   LYS  23           HB1      LYS  23   5.989  -4.488   4.977
  140   2HB   LYS  23           HB2      LYS  23   4.861  -4.957   6.259
  141   1HG   LYS  23           HG1      LYS  23   5.807  -7.039   4.227
  142   2HG   LYS  23           HG2      LYS  23   6.906  -6.495   5.514
  143   1HD   LYS  23           HD1      LYS  23   4.175  -7.768   6.107
  144   2HD   LYS  23           HD2      LYS  23   5.737  -8.627   6.028
  145   1HE   LYS  23           HE1      LYS  23   6.668  -7.141   7.857
  146   2HE   LYS  23           HE2      LYS  23   5.048  -6.368   8.029
  147   1HZ   LYS  23           HZ1      LYS  23   4.141  -8.521   8.527
  148   2HZ   LYS  23           HZ2      LYS  23   5.670  -9.242   8.352
  149   3HZ   LYS  23           HZ3      LYS  23   5.401  -8.115   9.593
  150    H    VAL  24           HN       VAL  24   2.724  -5.153   6.305
  151    HA   VAL  24           HA       VAL  24   1.496  -7.610   6.094
  152    HB   VAL  24           HB       VAL  24   0.536  -5.179   7.755
  153   1HG1  VAL  24          HG21      VAL  24   0.217  -8.177   8.408
  154   2HG1  VAL  24          HG22      VAL  24  -0.228  -6.788   9.483
  155   3HG1  VAL  24          HG23      VAL  24  -1.093  -7.034   7.928
  156   1HG2  VAL  24          HG11      VAL  24   2.737  -7.168   8.537
  157   2HG2  VAL  24          HG12      VAL  24   2.932  -5.409   8.159
  158   3HG2  VAL  24          HG13      VAL  24   2.017  -5.911   9.610
  159    H    PHE  25           HN       PHE  25   0.343  -4.494   5.222
  160    HA   PHE  25           HA       PHE  25  -2.332  -4.866   4.766
  161   1HB   PHE  25           HB1      PHE  25  -1.195  -2.650   4.835
  162   2HB   PHE  25           HB2      PHE  25  -0.158  -3.099   3.479
  163    HD1  PHE  25           HD1      PHE  25  -3.970  -3.024   4.029
  164    HD2  PHE  25           HD2      PHE  25  -0.566  -2.003   1.592
  165    HE1  PHE  25           HE1      PHE  25  -5.472  -2.095   2.291
  166    HE2  PHE  25           HE2      PHE  25  -2.034  -1.113  -0.114
  167    HZ   PHE  25           HZ       PHE  25  -4.517  -1.158   0.196
  168    H    PHE  26           HN       PHE  26   0.362  -4.843   2.525
  169    HA   PHE  26           HA       PHE  26  -0.936  -5.665   0.252
  170   1HB   PHE  26           HB1      PHE  26   1.187  -4.374   0.254
  171   2HB   PHE  26           HB2      PHE  26   2.037  -5.748   1.015
  172    HD1  PHE  26           HD2      PHE  26   0.036  -4.930  -2.132
  173    HD2  PHE  26           HD1      PHE  26   3.150  -7.248  -0.311
  174    HE1  PHE  26           HE2      PHE  26   0.721  -5.761  -4.355
  175    HE2  PHE  26           HE1      PHE  26   3.879  -8.020  -2.519
  176    HZ   PHE  26           HZ       PHE  26   2.634  -7.377  -4.543
  177    H    LYS  27           HN       LYS  27   0.828  -7.568   2.600
  178    HA   LYS  27           HA       LYS  27   0.771  -9.967   1.127
  179   1HB   LYS  27           HB1      LYS  27   2.504  -9.800   2.720
  180   2HB   LYS  27           HB2      LYS  27   1.341  -9.548   4.071
  181   1HG   LYS  27           HG1      LYS  27   0.537 -11.919   3.800
  182   2HG   LYS  27           HG2      LYS  27   1.624 -12.145   2.399
  183   1HD   LYS  27           HD1      LYS  27   2.431 -13.205   4.510
  184   2HD   LYS  27           HD2      LYS  27   3.593 -12.044   3.828
  185   1HE   LYS  27           HE1      LYS  27   2.844 -10.309   5.554
  186   2HE   LYS  27           HE2      LYS  27   1.670 -11.509   6.216
  187   1HZ   LYS  27           HZ1      LYS  27   3.683 -11.414   7.459
  188   2HZ   LYS  27           HZ2      LYS  27   3.507 -12.938   6.730
  189   3HZ   LYS  27           HZ3      LYS  27   4.610 -11.814   6.093
  190    H    ARG  28           HN       ARG  28  -1.626  -8.548   3.306
  191    HA   ARG  28           HA       ARG  28  -3.232 -10.967   3.165
  192   1HB   ARG  28           HB1      ARG  28  -2.816  -9.093   5.194
  193   2HB   ARG  28           HB2      ARG  28  -4.368  -8.552   4.549
  194   1HG   ARG  28           HG1      ARG  28  -4.825 -10.102   6.345
  195   2HG   ARG  28           HG2      ARG  28  -5.224 -10.975   4.831
  196   1HD   ARG  28           HD1      ARG  28  -2.941 -12.126   4.936
  197   2HD   ARG  28           HD2      ARG  28  -2.615 -11.269   6.499
  198    HE   ARG  28           HE       ARG  28  -4.747 -12.407   7.322
  199   1HH1  ARG  28          HH21      ARG  28  -2.123 -15.328   6.421
  200   2HH1  ARG  28          HH22      ARG  28  -2.138 -13.913   5.421
  201   1HH2  ARG  28          HH11      ARG  28  -3.680 -15.576   8.147
  202   2HH2  ARG  28          HH12      ARG  28  -4.865 -14.348   8.445
  203    H    ALA  29           HN       ALA  29  -3.031  -7.811   1.782
  204    HA   ALA  29           HA       ALA  29  -5.619  -7.638   0.713
  205   1HB   ALA  29           HB1      ALA  29  -4.684  -5.738  -0.667
  206   2HB   ALA  29           HB2      ALA  29  -4.328  -5.605   1.068
  207   3HB   ALA  29           HB3      ALA  29  -3.037  -6.185  -0.045
  208    H    VAL  30           HN       VAL  30  -2.581  -8.942  -0.541
  209    HA   VAL  30           HA       VAL  30  -3.442  -9.236  -3.212
  210    HB   VAL  30           HB       VAL  30  -1.059 -10.235  -1.611
  211   1HG1  VAL  30          HG21      VAL  30  -1.460 -10.469  -4.647
  212   2HG1  VAL  30          HG22      VAL  30   0.079 -10.817  -3.744
  213   3HG1  VAL  30          HG23      VAL  30  -1.381 -11.841  -3.467
  214   1HG2  VAL  30          HG11      VAL  30  -0.940  -8.165  -3.878
  215   2HG2  VAL  30          HG12      VAL  30  -1.309  -7.674  -2.197
  216   3HG2  VAL  30          HG13      VAL  30   0.236  -8.508  -2.548
  217    H    GLU  31           HN       GLU  31  -2.536 -11.640  -0.781
  218    HA   GLU  31           HA       GLU  31  -4.158 -13.658  -2.157
  219   1HB   GLU  31           HB1      GLU  31  -2.989 -15.364  -0.836
  220   2HB   GLU  31           HB2      GLU  31  -1.976 -14.436  -1.970
  221   1HG   GLU  31           HG1      GLU  31  -1.038 -13.052  -0.189
  222   2HG   GLU  31           HG2      GLU  31  -2.127 -13.777   1.042
  223    H    GLY  32           HN       GLY  32  -5.757 -11.901  -1.113
  224   1HA   GLY  32           HA1      GLY  32  -7.231 -13.483   0.777
  225   2HA   GLY  32           HA2      GLY  32  -6.624 -11.910   1.434
  226    H    GLN  33           HN       GLN  33  -6.907 -10.067  -0.302
  227    HA   GLN  33           HA       GLN  33  -8.077  -8.706  -1.419
  228   1HB   GLN  33           HB1      GLN  33 -10.082 -10.921  -1.916
  229   2HB   GLN  33           HB2      GLN  33 -10.394  -9.248  -2.427
  230   1HG   GLN  33           HG1      GLN  33  -7.875 -10.820  -3.325
  231   2HG   GLN  33           HG2      GLN  33  -9.435 -10.890  -4.200
  232   1HE2  GLN  33          HE21      GLN  33  -6.587  -8.889  -3.541
  233   2HE2  GLN  33          HE22      GLN  33  -7.007  -7.570  -4.582
  234    H    HIS  34           HN       HIS  34  -8.888  -7.014  -0.396
  235    HA   HIS  34           HA       HIS  34 -10.344  -7.465   2.087
  236   1HB   HIS  34           HB1      HIS  34  -8.938  -5.020   0.893
  237   2HB   HIS  34           HB2      HIS  34  -9.888  -4.989   2.417
  238    HD2  HIS  34           HD2      HIS  34  -7.394  -8.111   1.941
  239    HE1  HIS  34           HE1      HIS  34  -5.741  -5.313   4.638
  240    HE2  HIS  34           HE2      HIS  34  -5.552  -7.653   3.634
  241    H    ASN  35           HN       ASN  35 -10.447  -5.128  -0.616
  242    HA   ASN  35           HA       ASN  35 -12.245  -4.920  -2.055
  243   1HB   ASN  35           HB1      ASN  35 -14.073  -6.088  -0.697
  244   2HB   ASN  35           HB2      ASN  35 -14.132  -4.660   0.380
  245   1HD2  ASN  35          HD21      ASN  35 -15.627  -4.467  -3.547
  246   2HD2  ASN  35          HD22      ASN  35 -14.417  -5.634  -3.129
  247    H    TYR  36           HN       TYR  36 -11.481  -3.012  -2.733
  248    HA   TYR  36           HA       TYR  36 -11.352  -0.736  -0.905
  249   1HB   TYR  36           HB1      TYR  36  -9.464  -0.632  -3.181
  250   2HB   TYR  36           HB2      TYR  36  -9.177  -0.366  -1.423
  251    HD1  TYR  36           HD1      TYR  36  -9.460  -2.922  -4.146
  252    HD2  TYR  36           HD2      TYR  36  -7.960  -2.093  -0.185
  253    HE1  TYR  36           HE1      TYR  36  -8.229  -5.056  -4.153
  254    HE2  TYR  36           HE2      TYR  36  -6.729  -4.205  -0.212
  255    HH   TYR  36           HH       TYR  36  -6.214  -6.057  -1.368
  256    H    LEU  37           HN       LEU  37 -11.669   1.350  -2.095
  257    HA   LEU  37           HA       LEU  37 -13.376   1.022  -4.478
  258   1HB   LEU  37           HB1      LEU  37 -13.718   2.989  -2.157
  259   2HB   LEU  37           HB2      LEU  37 -14.720   2.937  -3.645
  260    HG   LEU  37           HG       LEU  37 -14.515   0.677  -1.561
  261   1HD1  LEU  37          HD11      LEU  37 -16.779   1.387  -0.816
  262   2HD1  LEU  37          HD12      LEU  37 -15.551   2.677  -0.560
  263   3HD1  LEU  37          HD13      LEU  37 -16.714   2.802  -1.931
  264   1HD2  LEU  37          HD21      LEU  37 -16.575  -0.225  -2.697
  265   2HD2  LEU  37          HD22      LEU  37 -16.408   1.035  -3.974
  266   3HD2  LEU  37          HD23      LEU  37 -15.138  -0.228  -3.776
  267    H    CYS  38           HN       CYS  38 -11.609   1.432  -5.830
  268    HA   CYS  38           HA       CYS  38 -11.624   3.820  -7.007
  269   1HB   CYS  38           HB1      CYS  38  -8.942   3.571  -5.493
  270   2HB   CYS  38           HB2      CYS  38  -9.046   4.301  -7.095
  271    H    ALA  39           HN       ALA  39 -12.278   2.221  -8.291
  272    HA   ALA  39           HA       ALA  39 -10.264   0.485  -9.463
  273   1HB   ALA  39           HB1      ALA  39 -12.180  -1.050 -10.077
  274   2HB   ALA  39           HB2      ALA  39 -12.048  -0.828  -8.303
  275   3HB   ALA  39           HB3      ALA  39 -13.306   0.078  -9.221
  276    H    GLY  40           HN       GLY  40 -12.375   3.127  -9.784
  277   1HA   GLY  40           HA1      GLY  40 -11.780   3.356 -12.625
  278   2HA   GLY  40           HA2      GLY  40 -13.512   3.237 -12.106
  279    H    ARG  41           HN       ARG  41 -11.235   4.817  -9.880
  280    HA   ARG  41           HA       ARG  41 -12.034   7.455 -10.857
  281   1HB   ARG  41           HB1      ARG  41 -11.837   6.397  -7.981
  282   2HB   ARG  41           HB2      ARG  41 -11.890   8.141  -8.403
  283   1HG   ARG  41           HG1      ARG  41 -14.144   6.119  -9.066
  284   2HG   ARG  41           HG2      ARG  41 -14.031   7.051  -7.553
  285   1HD   ARG  41           HD1      ARG  41 -15.576   8.271  -8.934
  286   2HD   ARG  41           HD2      ARG  41 -14.037   9.223  -8.926
  287    HE   ARG  41           HE       ARG  41 -14.738   7.288 -11.126
  288   1HH1  ARG  41          HH21      ARG  41 -15.160  11.243 -11.752
  289   2HH1  ARG  41          HH22      ARG  41 -14.660  10.718 -10.178
  290   1HH2  ARG  41          HH11      ARG  41 -15.433   9.697 -13.486
  291   2HH2  ARG  41          HH12      ARG  41 -15.138   8.012 -13.213
  292    H    ASN  42           HN       ASN  42 -10.053   6.548  -8.207
  293    HA   ASN  42           HA       ASN  42  -7.972   6.580  -7.670
  294   1HB   ASN  42           HB1      ASN  42  -7.478   5.064  -9.594
  295   2HB   ASN  42           HB2      ASN  42  -7.214   6.473 -10.657
  296   1HD2  ASN  42          HD21      ASN  42  -3.808   6.837  -9.698
  297   2HD2  ASN  42          HD22      ASN  42  -5.096   7.267 -10.773
  298    H    ASP  43           HN       ASP  43  -9.039   8.589  -7.008
  299    HA   ASP  43           HA       ASP  43  -7.969  11.011  -8.306
  300   1HB   ASP  43           HB1      ASP  43  -9.802  12.088  -6.583
  301   2HB   ASP  43           HB2      ASP  43 -10.098  11.630  -8.290
  302    H    CYS  44           HN       CYS  44  -8.858   9.782  -4.982
  303    HA   CYS  44           HA       CYS  44  -7.774  11.785  -3.706
  304   1HB   CYS  44           HB1      CYS  44  -7.674   9.661  -1.790
  305   2HB   CYS  44           HB2      CYS  44  -9.015  10.742  -2.159
  306    H    ILE  45           HN       ILE  45  -6.002  11.880  -2.069
  307    HA   ILE  45           HA       ILE  45  -3.510  10.692  -3.042
  308    HB   ILE  45           HB       ILE  45  -4.010  12.839  -0.902
  309   1HG1  ILE  45          HG11      ILE  45  -4.585  13.733  -3.094
  310   2HG1  ILE  45          HG12      ILE  45  -3.121  14.501  -2.431
  311   1HG2  ILE  45          HG21      ILE  45  -1.513  13.284  -1.024
  312   2HG2  ILE  45          HG22      ILE  45  -1.908  11.685  -0.318
  313   3HG2  ILE  45          HG23      ILE  45  -1.327  11.790  -2.013
  314   1HD1  ILE  45           HD1      ILE  45  -2.867  14.102  -4.863
  315   2HD1  ILE  45           HD2      ILE  45  -1.680  13.094  -3.964
  316   3HD1  ILE  45           HD3      ILE  45  -3.169  12.342  -4.650
  317    H    ILE  46           HN       ILE  46  -2.255   9.441  -1.590
  318    HA   ILE  46           HA       ILE  46  -3.619   8.466   0.815
  319    HB   ILE  46           HB       ILE  46  -3.022   7.033  -1.649
  320   1HG1  ILE  46          HG11      ILE  46  -4.296   5.233  -0.651
  321   2HG1  ILE  46          HG12      ILE  46  -4.177   5.961   0.991
  322   1HG2  ILE  46          HG21      ILE  46  -1.973   4.990  -0.847
  323   2HG2  ILE  46          HG22      ILE  46  -0.810   6.370  -0.832
  324   3HG2  ILE  46          HG23      ILE  46  -1.491   5.779   0.718
  325   1HD1  ILE  46           HD1      ILE  46  -6.333   6.198  -0.472
  326   2HD1  ILE  46           HD2      ILE  46  -5.756   7.653   0.443
  327   3HD1  ILE  46           HD3      ILE  46  -5.447   7.489  -1.343
  328    H    ASP  47           HN       ASP  47  -2.454   8.763   2.542
  329    HA   ASP  47           HA       ASP  47   0.275   8.342   2.453
  330   1HB   ASP  47           HB1      ASP  47   1.291  10.402   3.116
  331   2HB   ASP  47           HB2      ASP  47   0.525  10.569   1.549
  332    H    LYS  48           HN       LYS  48   0.888   9.544   4.954
  333    HA   LYS  48           HA       LYS  48  -0.041   7.676   6.688
  334   1HB   LYS  48           HB1      LYS  48   2.117   9.030   6.696
  335   2HB   LYS  48           HB2      LYS  48   1.204  10.364   7.427
  336   1HG   LYS  48           HG1      LYS  48   0.653   7.984   9.026
  337   2HG   LYS  48           HG2      LYS  48   2.371   7.930   8.631
  338   1HD   LYS  48           HD1      LYS  48   2.667  10.268   9.541
  339   2HD   LYS  48           HD2      LYS  48   0.910  10.343   9.897
  340   1HE   LYS  48           HE1      LYS  48   1.161   8.416  11.527
  341   2HE   LYS  48           HE2      LYS  48   2.937   8.381  11.192
  342   1HZ   LYS  48           HZ1      LYS  48   1.394  10.651  12.300
  343   2HZ   LYS  48           HZ2      LYS  48   2.424   9.600  13.149
  344   3HZ   LYS  48           HZ3      LYS  48   3.060  10.643  11.968
  345    H    ILE  49           HN       ILE  49  -1.905  10.286   5.673
  346    HA   ILE  49           HA       ILE  49  -3.519  10.308   8.130
  347    HB   ILE  49           HB       ILE  49  -2.574  12.585   6.329
  348   1HG1  ILE  49          HG11      ILE  49  -1.079  12.141   8.203
  349   2HG1  ILE  49          HG12      ILE  49  -1.860  13.735   8.355
  350   1HG2  ILE  49          HG21      ILE  49  -4.130  14.181   7.488
  351   2HG2  ILE  49          HG22      ILE  49  -4.944  12.958   6.442
  352   3HG2  ILE  49          HG23      ILE  49  -4.975  12.762   8.235
  353   1HD1  ILE  49           HD1      ILE  49  -3.464  12.784  10.074
  354   2HD1  ILE  49           HD2      ILE  49  -2.625  11.193   9.951
  355   3HD1  ILE  49           HD3      ILE  49  -1.739  12.631  10.565
  356    H    ARG  50           HN       ARG  50  -3.311  10.853   4.667
  357    HA   ARG  50           HA       ARG  50  -6.044  10.984   4.246
  358   1HB   ARG  50           HB1      ARG  50  -3.780  11.878   3.019
  359   2HB   ARG  50           HB2      ARG  50  -4.100  10.488   1.974
  360   1HG   ARG  50           HG1      ARG  50  -5.109  12.413   0.992
  361   2HG   ARG  50           HG2      ARG  50  -6.475  11.437   1.633
  362   1HD   ARG  50           HD1      ARG  50  -6.630  12.986   3.632
  363   2HD   ARG  50           HD2      ARG  50  -5.225  13.931   3.021
  364    HE   ARG  50           HE       ARG  50  -7.944  13.708   1.750
  365   1HH1  ARG  50          HH21      ARG  50  -5.093  15.890  -0.082
  366   2HH1  ARG  50          HH22      ARG  50  -4.664  15.033   1.362
  367   1HH2  ARG  50          HH11      ARG  50  -7.308  15.893  -0.843
  368   2HH2  ARG  50          HH12      ARG  50  -8.536  15.039   0.031
  369    H    ARG  51           HN       ARG  51  -4.210   8.283   4.819
  370    HA   ARG  51           HA       ARG  51  -5.321   6.498   2.958
  371   1HB   ARG  51           HB1      ARG  51  -4.371   4.662   3.965
  372   2HB   ARG  51           HB2      ARG  51  -3.190   5.960   4.201
  373   1HG   ARG  51           HG1      ARG  51  -5.182   5.011   6.386
  374   2HG   ARG  51           HG2      ARG  51  -3.616   4.274   6.131
  375   1HD   ARG  51           HD1      ARG  51  -3.748   7.312   6.607
  376   2HD   ARG  51           HD2      ARG  51  -3.944   6.183   7.996
  377    HE   ARG  51           HE       ARG  51  -1.554   6.372   6.189
  378   1HH1  ARG  51          HH21      ARG  51  -1.583   3.625   9.137
  379   2HH1  ARG  51          HH22      ARG  51  -3.005   4.586   8.905
  380   1HH2  ARG  51          HH11      ARG  51   0.340   4.030   7.864
  381   2HH2  ARG  51          HH12      ARG  51   0.356   5.292   6.678
  382    H    LYS  52           HN       LYS  52  -6.666   7.935   5.746
  383    HA   LYS  52           HA       LYS  52  -8.480   5.879   6.471
  384   1HB   LYS  52           HB1      LYS  52  -8.253   8.762   7.488
  385   2HB   LYS  52           HB2      LYS  52  -9.171   7.420   8.253
  386   1HG   LYS  52           HG1      LYS  52  -7.015   6.186   8.664
  387   2HG   LYS  52           HG2      LYS  52  -6.110   7.499   7.861
  388   1HD   LYS  52           HD1      LYS  52  -5.795   7.859  10.149
  389   2HD   LYS  52           HD2      LYS  52  -6.937   9.129   9.642
  390   1HE   LYS  52           HE1      LYS  52  -7.808   6.485  11.034
  391   2HE   LYS  52           HE2      LYS  52  -7.376   7.988  11.927
  392   1HZ   LYS  52           HZ1      LYS  52  -9.544   7.734   9.937
  393   2HZ   LYS  52           HZ2      LYS  52  -9.704   7.752  11.628
  394   3HZ   LYS  52           HZ3      LYS  52  -9.129   9.128  10.817
  395    H    ASN  53           HN       ASN  53  -8.515   7.429   3.772
  396    HA   ASN  53           HA       ASN  53 -11.345   8.080   3.738
  397   1HB   ASN  53           HB1      ASN  53  -9.118   9.301   1.940
  398   2HB   ASN  53           HB2      ASN  53 -10.863   9.610   1.774
  399   1HD2  ASN  53          HD21      ASN  53  -8.678  11.853   4.369
  400   2HD2  ASN  53          HD22      ASN  53  -7.995  10.782   3.192
  401    H    CYS  54           HN       CYS  54  -8.517   6.333   2.471
  402    HA   CYS  54           HA       CYS  54 -10.250   4.665   0.897
  403   1HB   CYS  54           HB1      CYS  54 -10.117   6.582  -0.582
  404   2HB   CYS  54           HB2      CYS  54  -8.375   6.744  -0.352
  405    HA   PRO  55           HA       PRO  55  -6.298   2.341   1.340
  406   1HB   PRO  55           HB1      PRO  55  -7.317  -0.099   1.852
  407   2HB   PRO  55           HB2      PRO  55  -7.559   1.191   3.004
  408   1HG   PRO  55           HG1      PRO  55  -9.528   0.169   0.955
  409   2HG   PRO  55           HG2      PRO  55  -9.815   0.563   2.643
  410   1HD   PRO  55           HD1      PRO  55 -10.238   2.303   0.435
  411   2HD   PRO  55           HD2      PRO  55 -10.141   2.808   2.126
  412    H    ALA  56           HN       ALA  56  -8.126   2.815  -1.369
  413    HA   ALA  56           HA       ALA  56  -7.601   0.374  -2.786
  414   1HB   ALA  56           HB1      ALA  56  -9.036   1.347  -4.548
  415   2HB   ALA  56           HB2      ALA  56  -9.808   1.525  -2.920
  416   3HB   ALA  56           HB3      ALA  56  -9.053   2.921  -3.664
  417    H    CYS  57           HN       CYS  57  -6.876   3.909  -2.901
  418    HA   CYS  57           HA       CYS  57  -5.072   3.929  -4.944
  419   1HB   CYS  57           HB1      CYS  57  -5.485   5.636  -2.478
  420   2HB   CYS  57           HB2      CYS  57  -4.243   6.047  -3.659
  421    H    ARG  58           HN       ARG  58  -4.728   3.238  -1.573
  422    HA   ARG  58           HA       ARG  58  -2.035   3.071  -1.216
  423   1HB   ARG  58           HB1      ARG  58  -4.423   1.715   0.063
  424   2HB   ARG  58           HB2      ARG  58  -2.830   1.086   0.530
  425   1HG   ARG  58           HG1      ARG  58  -3.357   4.031   0.619
  426   2HG   ARG  58           HG2      ARG  58  -3.960   2.999   1.956
  427   1HD   ARG  58           HD1      ARG  58  -1.031   3.245   0.991
  428   2HD   ARG  58           HD2      ARG  58  -1.692   4.086   2.442
  429    HE   ARG  58           HE       ARG  58  -1.413   1.119   2.064
  430   1HH1  ARG  58          HH21      ARG  58  -2.624   2.547   5.622
  431   2HH1  ARG  58          HH22      ARG  58  -2.222   3.686   4.381
  432   1HH2  ARG  58          HH11      ARG  58  -2.349   0.250   5.254
  433   2HH2  ARG  58          HH12      ARG  58  -1.742  -0.324   3.737
  434    H    TYR  59           HN       TYR  59  -4.338   0.608  -2.462
  435    HA   TYR  59           HA       TYR  59  -2.423  -1.510  -2.499
  436   1HB   TYR  59           HB1      TYR  59  -4.877  -1.851  -2.068
  437   2HB   TYR  59           HB2      TYR  59  -5.233  -1.316  -3.733
  438    HD1  TYR  59           HD2      TYR  59  -3.262  -3.938  -1.825
  439    HD2  TYR  59           HD1      TYR  59  -5.257  -2.891  -5.492
  440    HE1  TYR  59           HE2      TYR  59  -3.041  -6.287  -2.623
  441    HE2  TYR  59           HE1      TYR  59  -5.004  -5.211  -6.288
  442    HH   TYR  59           HH       TYR  59  -4.239  -7.263  -5.854
  443    H    ARG  60           HN       ARG  60  -3.782   0.912  -4.705
  444    HA   ARG  60           HA       ARG  60  -2.630  -0.045  -7.046
  445   1HB   ARG  60           HB1      ARG  60  -3.566   2.786  -6.372
  446   2HB   ARG  60           HB2      ARG  60  -3.138   2.259  -8.015
  447   1HG   ARG  60           HG1      ARG  60  -5.296   0.643  -6.588
  448   2HG   ARG  60           HG2      ARG  60  -5.658   2.338  -6.990
  449   1HD   ARG  60           HD1      ARG  60  -6.529   1.125  -8.792
  450   2HD   ARG  60           HD2      ARG  60  -5.003   1.800  -9.464
  451    HE   ARG  60           HE       ARG  60  -5.531  -1.030  -8.571
  452   1HH1  ARG  60          HH21      ARG  60  -1.911  -0.148 -10.109
  453   2HH1  ARG  60          HH22      ARG  60  -3.063   1.138  -9.964
  454   1HH2  ARG  60          HH11      ARG  60  -2.501  -2.342  -9.530
  455   2HH2  ARG  60          HH12      ARG  60  -4.097  -2.692  -8.954
  456    H    LYS  61           HN       LYS  61  -1.523   2.240  -4.601
  457    HA   LYS  61           HA       LYS  61   0.610   3.257  -6.055
  458   1HB   LYS  61           HB1      LYS  61  -0.490   3.562  -3.309
  459   2HB   LYS  61           HB2      LYS  61   1.267   3.603  -3.287
  460   1HG   LYS  61           HG1      LYS  61   0.832   5.793  -3.478
  461   2HG   LYS  61           HG2      LYS  61   1.183   5.362  -5.176
  462   1HD   LYS  61           HD1      LYS  61  -1.649   5.691  -3.962
  463   2HD   LYS  61           HD2      LYS  61  -0.741   6.997  -4.762
  464   1HE   LYS  61           HE1      LYS  61  -0.735   5.774  -6.934
  465   2HE   LYS  61           HE2      LYS  61  -1.621   4.391  -6.193
  466   1HZ   LYS  61           HZ1      LYS  61  -3.410   5.872  -5.673
  467   2HZ   LYS  61           HZ2      LYS  61  -2.584   7.174  -6.385
  468   3HZ   LYS  61           HZ3      LYS  61  -3.070   5.854  -7.337
  469    H    CYS  62           HN       CYS  62   0.518   0.753  -3.618
  470    HA   CYS  62           HA       CYS  62   3.230   0.265  -3.524
  471   1HB   CYS  62           HB1      CYS  62   2.747  -1.660  -2.150
  472   2HB   CYS  62           HB2      CYS  62   1.716  -0.306  -1.707
  473    HG1  CYS  62           HG1      CYS  62   0.891  -2.885  -3.605
  474    H    LEU  63           HN       LEU  63   0.727  -1.164  -5.578
  475    HA   LEU  63           HA       LEU  63   2.394  -3.001  -6.841
  476   1HB   LEU  63           HB1      LEU  63  -0.312  -1.782  -7.566
  477   2HB   LEU  63           HB2      LEU  63   0.492  -2.931  -8.677
  478    HG   LEU  63           HG       LEU  63  -0.153  -3.596  -5.746
  479   1HD1  LEU  63          HD11      LEU  63  -2.058  -4.939  -6.612
  480   2HD1  LEU  63          HD12      LEU  63  -2.272  -3.186  -6.954
  481   3HD1  LEU  63          HD13      LEU  63  -1.768  -4.308  -8.274
  482   1HD2  LEU  63          HD21      LEU  63   0.165  -5.984  -6.544
  483   2HD2  LEU  63          HD22      LEU  63   0.741  -5.351  -8.126
  484   3HD2  LEU  63          HD23      LEU  63   1.670  -5.006  -6.620
  485    H    GLN  64           HN       GLN  64   1.536   0.389  -7.659
  486    HA   GLN  64           HA       GLN  64   2.876   0.438 -10.085
  487   1HB   GLN  64           HB1      GLN  64   1.959   2.630  -8.188
  488   2HB   GLN  64           HB2      GLN  64   2.860   3.026  -9.687
  489   1HG   GLN  64           HG1      GLN  64   1.146   1.950 -11.110
  490   2HG   GLN  64           HG2      GLN  64   0.226   1.407  -9.681
  491   1HE2  GLN  64          HE21      GLN  64   1.183   4.243 -11.644
  492   2HE2  GLN  64          HE22      GLN  64   0.020   5.349 -11.000
  493    H    ALA  65           HN       ALA  65   3.928   0.837  -6.823
  494    HA   ALA  65           HA       ALA  65   6.414   1.984  -7.237
  495   1HB   ALA  65           HB1      ALA  65   6.901   1.588  -4.941
  496   2HB   ALA  65           HB2      ALA  65   5.146   1.906  -5.021
  497   3HB   ALA  65           HB3      ALA  65   5.724   0.217  -4.835
  498    H    GLY  66           HN       GLY  66   5.336  -1.334  -7.200
  499   1HA   GLY  66           HA1      GLY  66   6.353  -2.760  -8.785
  500   2HA   GLY  66           HA2      GLY  66   7.973  -2.232  -8.208
  501    H    MET  67           HN       MET  67   5.368  -2.761  -5.902
  502    HA   MET  67           HA       MET  67   6.841  -4.597  -4.419
  503   1HB   MET  67           HB1      MET  67   3.907  -3.814  -4.322
  504   2HB   MET  67           HB2      MET  67   4.558  -5.039  -3.208
  505   1HG   MET  67           HG1      MET  67   5.814  -2.234  -3.422
  506   2HG   MET  67           HG2      MET  67   4.429  -2.582  -2.373
  507   1HE   MET  67           HE1      MET  67   4.289  -3.934  -0.274
  508   2HE   MET  67           HE2      MET  67   5.648  -4.759   0.540
  509   3HE   MET  67           HE3      MET  67   4.921  -5.516  -0.924
  510    H    ASN  68           HN       ASN  68   6.527  -6.940  -3.995
  511    HA   ASN  68           HA       ASN  68   4.534  -8.301  -5.448
  512   1HB   ASN  68           HB1      ASN  68   6.683  -7.834  -7.164
  513   2HB   ASN  68           HB2      ASN  68   7.291  -9.281  -6.363
  514   1HD2  ASN  68          HD21      ASN  68   4.071 -11.072  -7.587
  515   2HD2  ASN  68          HD22      ASN  68   4.498 -10.472  -6.014
  516    H    LEU  69           HN       LEU  69   4.096  -9.971  -4.255
  517    HA   LEU  69           HA       LEU  69   5.691 -10.554  -1.941
  518   1HB   LEU  69           HB1      LEU  69   3.469  -9.914  -1.554
  519   2HB   LEU  69           HB2      LEU  69   2.839 -10.943  -2.887
  520    HG   LEU  69           HG       LEU  69   3.261 -12.986  -1.394
  521   1HD1  LEU  69          HD11      LEU  69   3.556 -12.627   1.039
  522   2HD1  LEU  69          HD12      LEU  69   4.976 -11.991   0.136
  523   3HD1  LEU  69          HD13      LEU  69   3.729 -10.852   0.781
  524   1HD2  LEU  69          HD21      LEU  69   1.264 -12.387   0.124
  525   2HD2  LEU  69          HD22      LEU  69   1.306 -10.762  -0.660
  526   3HD2  LEU  69          HD23      LEU  69   1.038 -12.228  -1.656
  527    H    GLU  70           HN       GLU  70   6.560 -11.287  -4.527
  528    HA   GLU  70           HA       GLU  70   7.611 -13.830  -4.092
  529   1HB   GLU  70           HB1      GLU  70   5.982 -13.386  -6.673
  530   2HB   GLU  70           HB2      GLU  70   7.110 -14.752  -6.350
  531   1HG   GLU  70           HG1      GLU  70   5.558 -15.519  -4.475
  532   2HG   GLU  70           HG2      GLU  70   4.405 -14.211  -4.923
  533    H    ALA  71           HN       ALA  71   8.857 -11.768  -3.728
  534    HA   ALA  71           HA       ALA  71  10.168 -10.796  -6.195
  535   1HB   ALA  71           HB1      ALA  71  10.619  -8.636  -4.906
  536   2HB   ALA  71           HB2      ALA  71   8.884  -8.908  -5.211
  537   3HB   ALA  71           HB3      ALA  71   9.556  -9.273  -3.592
  538    H    ARG  72           HN       ARG  72  12.397  -9.904  -5.623
  539    HA   ARG  72           HA       ARG  72  13.732 -11.294  -3.440
  540   1HB   ARG  72           HB1      ARG  72  13.932 -12.775  -5.469
  541   2HB   ARG  72           HB2      ARG  72  14.623 -11.411  -6.385
  542   1HG   ARG  72           HG1      ARG  72  16.604 -11.373  -4.798
  543   2HG   ARG  72           HG2      ARG  72  15.855 -12.692  -3.853
  544   1HD   ARG  72           HD1      ARG  72  17.598 -13.643  -5.299
  545   2HD   ARG  72           HD2      ARG  72  15.983 -14.206  -5.902
  546    HE   ARG  72           HE       ARG  72  16.155 -12.246  -7.540
  547   1HH1  ARG  72          HH21      ARG  72  19.170 -14.763  -8.410
  548   2HH1  ARG  72          HH22      ARG  72  18.722 -14.580  -6.747
  549   1HH2  ARG  72          HH11      ARG  72  16.926 -12.307  -9.640
  550   2HH2  ARG  72          HH12      ARG  72  18.144 -13.464 -10.064
   
  No H/Q in entry =         550
   
  No H/Q in entry =         550