*HEADER    MEMBRANE PROTEIN                        09-FEB-10   2X43
*TITLE     STRUCTURAL BASIS OF MOELCULAR RECOGNITION BY SHERP AT
*TITLE    2 MEMBRANE SURFACES
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: SHERP;
*COMPND   3 CHAIN: S;
*COMPND   4 SYNONYM: SMALL HYDROPHILIC ENDOPLASMIC
*COMPND   5  RETICULUM-ASSOCIATED PROTEIN
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR;
*SOURCE   4 ORGANISM_TAXID: 5664
*KEYWDS    MEMBRANE PROTEIN
*EXPDTA    SOLUTION NMR
*AUTHOR    B.MOORE,A.J.MILES,C.G.GUERRA,P.SIMPSON,M.IWATA,B.A.WALLACE,
*AUTHOR   2 S.J.MATTHEWS,D.F.SMITH,K.A.BROWN
*REVDAT   1   11-FEB-10 2X43    0




assign (segid "SHRP" and resid   65 and name   HB) (segid "SHRP" and resid   65 and name   HA) 1.899 0.451 0.451 weight 1.000 ! spec=cnoesy, no=2, id=429, vol=7.837430e+00
assign (segid "SHRP" and resid   46 and name   HA) (segid "SHRP" and resid   46 and name   HB) 2.446 0.748 0.748 weight 1.000 ! spec=cnoesy, no=22, id=432, vol=1.717820e+00
assign (segid "SHRP" and resid   46 and name   HA) (segid "SHRP" and resid   49 and name HD12) 2.403 0.722 0.722 weight 1.000 ! spec=cnoesy, no=28, id=437, vol=1.913160e+00
    or (segid "SHRP" and resid   46 and name   HA) (segid "SHRP" and resid   49 and name HD11)
    or (segid "SHRP" and resid   46 and name   HA) (segid "SHRP" and resid   49 and name HD13)
assign (segid "SHRP" and resid    5 and name   HB) (segid "SHRP" and resid    5 and name   HA) 2.488 0.774 0.774 weight 1.000 ! spec=cnoesy, no=33, id=439, vol=1.550570e+00
assign (segid "SHRP" and resid   38 and name   HA) (segid "SHRP" and resid   34 and name  HD2) 3.077 1.184 1.184 weight 1.000 ! spec=cnoesy, no=44, id=442, vol=4.335900e-01
    or (segid "SHRP" and resid   38 and name   HA) (segid "SHRP" and resid   34 and name  HD1)
assign (segid "SHRP" and resid   42 and name   HA) (segid "SHRP" and resid   42 and name HG12) 2.112 0.558 0.558 weight 1.000 ! spec=cnoesy, no=47, id=445, vol=4.145140e+00
    or (segid "SHRP" and resid   42 and name   HA) (segid "SHRP" and resid   42 and name HG11)
    or (segid "SHRP" and resid   42 and name   HA) (segid "SHRP" and resid   42 and name HG13)
assign (segid "SHRP" and resid   38 and name   HA) (segid "SHRP" and resid   38 and name HG22) 2.016 0.508 0.508 weight 1.000 ! spec=cnoesy, no=48, id=446, vol=5.477230e+00
    or (segid "SHRP" and resid   38 and name   HA) (segid "SHRP" and resid   38 and name HG21)
    or (segid "SHRP" and resid   38 and name   HA) (segid "SHRP" and resid   38 and name HG23)
    or (segid "SHRP" and resid   38 and name   HA) (segid "SHRP" and resid   38 and name HG12)
    or (segid "SHRP" and resid   38 and name   HA) (segid "SHRP" and resid   38 and name HG11)
    or (segid "SHRP" and resid   38 and name   HA) (segid "SHRP" and resid   38 and name HG13)
assign (segid "SHRP" and resid   20 and name   HA) (segid "SHRP" and resid   20 and name   HB) 2.425 0.735 0.735 weight 1.000 ! spec=cnoesy, no=53, id=448, vol=1.809800e+00
assign (segid "SHRP" and resid   20 and name   HA) (segid "SHRP" and resid   20 and name HG22) 2.073 0.537 0.537 weight 1.000 ! spec=cnoesy, no=55, id=450, vol=4.641710e+00
    or (segid "SHRP" and resid   20 and name   HA) (segid "SHRP" and resid   20 and name HG21)
    or (segid "SHRP" and resid   20 and name   HA) (segid "SHRP" and resid   20 and name HG23)
assign (segid "SHRP" and resid   20 and name   HA) (segid "SHRP" and resid   20 and name HG12) 2.146 0.576 0.576 weight 1.000 ! spec=cnoesy, no=56, id=451, vol=3.764340e+00
    or (segid "SHRP" and resid   20 and name   HA) (segid "SHRP" and resid   20 and name HG11)
    or (segid "SHRP" and resid   20 and name   HA) (segid "SHRP" and resid   20 and name HG13)
assign (segid "SHRP" and resid   49 and name   HA) (segid "SHRP" and resid   49 and name   HB) 2.254 0.635 0.635 weight 1.000 ! spec=cnoesy, no=57, id=452, vol=2.803250e+00
assign (segid "SHRP" and resid   49 and name   HA) (segid "SHRP" and resid   53 and name  HB2) 2.443 0.746 0.746 weight 1.000 ! spec=cnoesy, no=58, id=453, vol=1.732380e+00
assign (segid "SHRP" and resid   49 and name   HA) (segid "SHRP" and resid   49 and name HG22) 2.350 0.690 0.690 weight 1.000 ! spec=cnoesy, no=60, id=455, vol=2.185880e+00
    or (segid "SHRP" and resid   49 and name   HA) (segid "SHRP" and resid   49 and name HG21)
    or (segid "SHRP" and resid   49 and name   HA) (segid "SHRP" and resid   49 and name HG23)
assign (segid "SHRP" and resid   49 and name   HA) (segid "SHRP" and resid   53 and name HD22) 2.181 0.595 0.595 weight 1.000 ! spec=cnoesy, no=61, id=456, vol=3.419490e+00
    or (segid "SHRP" and resid   49 and name   HA) (segid "SHRP" and resid   53 and name HD21)
    or (segid "SHRP" and resid   49 and name   HA) (segid "SHRP" and resid   53 and name HD23)
    or (segid "SHRP" and resid   49 and name   HA) (segid "SHRP" and resid   53 and name HD12)
    or (segid "SHRP" and resid   49 and name   HA) (segid "SHRP" and resid   53 and name HD11)
    or (segid "SHRP" and resid   49 and name   HA) (segid "SHRP" and resid   53 and name HD13)
assign (segid "SHRP" and resid   24 and name   HA) (segid "SHRP" and resid   24 and name   HB) 2.422 0.733 0.733 weight 1.000 ! spec=cnoesy, no=62, id=457, vol=1.824360e+00
assign (segid "SHRP" and resid   24 and name   HA) (segid "SHRP" and resid   28 and name  HB2) 2.367 0.700 0.700 weight 1.000 ! spec=cnoesy, no=63, id=458, vol=2.094360e+00
    or (segid "SHRP" and resid   24 and name   HA) (segid "SHRP" and resid   28 and name  HB1)
assign (segid "SHRP" and resid   24 and name   HA) (segid "SHRP" and resid   24 and name HG12) 2.417 0.730 0.730 weight 1.000 ! spec=cnoesy, no=64, id=459, vol=1.847970e+00
assign (segid "SHRP" and resid   24 and name   HA) (segid "SHRP" and resid   24 and name HG22) 2.030 0.515 0.515 weight 1.000 ! spec=cnoesy, no=67, id=462, vol=5.257090e+00
    or (segid "SHRP" and resid   24 and name   HA) (segid "SHRP" and resid   24 and name HG21)
    or (segid "SHRP" and resid   24 and name   HA) (segid "SHRP" and resid   24 and name HG23)
assign (segid "SHRP" and resid   57 and name  HB2) (segid "SHRP" and resid   52 and name  HG2) 2.830 1.001 1.001 weight 1.000 ! spec=cnoesy, no=72, id=466, vol=7.166900e-01
    or (segid "SHRP" and resid   57 and name  HB2) (segid "SHRP" and resid   52 and name  HG1)
    or (segid "SHRP" and resid   57 and name  HB1) (segid "SHRP" and resid   52 and name  HG2)
    or (segid "SHRP" and resid   57 and name  HB1) (segid "SHRP" and resid   52 and name  HG1)
assign (segid "SHRP" and resid   31 and name   HA) (segid "SHRP" and resid   31 and name HG22) 2.088 0.545 0.545 weight 1.000 ! spec=cnoesy, no=73, id=467, vol=4.446660e+00
    or (segid "SHRP" and resid   31 and name   HA) (segid "SHRP" and resid   31 and name HG21)
    or (segid "SHRP" and resid   31 and name   HA) (segid "SHRP" and resid   31 and name HG23)
    or (segid "SHRP" and resid   31 and name   HA) (segid "SHRP" and resid   31 and name HG12)
    or (segid "SHRP" and resid   31 and name   HA) (segid "SHRP" and resid   31 and name HG11)
    or (segid "SHRP" and resid   31 and name   HA) (segid "SHRP" and resid   31 and name HG13)
assign (segid "SHRP" and resid   48 and name  HB2) (segid "SHRP" and resid   48 and name   HA) 1.991 0.496 0.496 weight 1.000 ! spec=cnoesy, no=99, id=476, vol=5.900460e+00
    or (segid "SHRP" and resid   48 and name  HB1) (segid "SHRP" and resid   48 and name   HA)
assign (segid "SHRP" and resid   44 and name  HB2) (segid "SHRP" and resid   66 and name HD22) 2.878 1.035 1.035 weight 1.000 ! spec=cnoesy, no=108, id=483, vol=6.477200e-01
    or (segid "SHRP" and resid   44 and name  HB2) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   44 and name  HB2) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   44 and name  HB2) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   44 and name  HB2) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   44 and name  HB2) (segid "SHRP" and resid   66 and name HD13)
    or (segid "SHRP" and resid   44 and name  HB1) (segid "SHRP" and resid   66 and name HD22)
    or (segid "SHRP" and resid   44 and name  HB1) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   44 and name  HB1) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   44 and name  HB1) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   44 and name  HB1) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   44 and name  HB1) (segid "SHRP" and resid   66 and name HD13)
assign (segid "SHRP" and resid   48 and name  HB2) (segid "SHRP" and resid   49 and name HG22) 2.509 0.787 0.787 weight 1.000 ! spec=cnoesy, no=114, id=487, vol=1.477040e+00
    or (segid "SHRP" and resid   48 and name  HB2) (segid "SHRP" and resid   49 and name HG21)
    or (segid "SHRP" and resid   48 and name  HB2) (segid "SHRP" and resid   49 and name HG23)
    or (segid "SHRP" and resid   48 and name  HB1) (segid "SHRP" and resid   49 and name HG22)
    or (segid "SHRP" and resid   48 and name  HB1) (segid "SHRP" and resid   49 and name HG21)
    or (segid "SHRP" and resid   48 and name  HB1) (segid "SHRP" and resid   49 and name HG23)
assign (segid "SHRP" and resid   48 and name  HB2) (segid "SHRP" and resid   66 and name HD22) 2.605 0.849 0.849 weight 1.000 ! spec=cnoesy, no=115, id=488, vol=1.176700e+00
    or (segid "SHRP" and resid   48 and name  HB2) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   48 and name  HB2) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   48 and name  HB2) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   48 and name  HB2) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   48 and name  HB2) (segid "SHRP" and resid   66 and name HD13)
    or (segid "SHRP" and resid   48 and name  HB1) (segid "SHRP" and resid   66 and name HD22)
    or (segid "SHRP" and resid   48 and name  HB1) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   48 and name  HB1) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   48 and name  HB1) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   48 and name  HB1) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   48 and name  HB1) (segid "SHRP" and resid   66 and name HD13)
assign (segid "SHRP" and resid   65 and name   HA) (segid "SHRP" and resid   64 and name  HB2) 3.143 1.235 1.235 weight 1.000 ! spec=cnoesy, no=117, id=490, vol=3.817600e-01
    or (segid "SHRP" and resid   65 and name   HA) (segid "SHRP" and resid   64 and name  HB1)
assign (segid "SHRP" and resid   48 and name   HA) (segid "SHRP" and resid   52 and name  HB2) 2.569 0.825 0.825 weight 1.000 ! spec=cnoesy, no=123, id=495, vol=1.280590e+00
    or (segid "SHRP" and resid   48 and name   HA) (segid "SHRP" and resid   52 and name  HB1)
assign (segid "SHRP" and resid   44 and name   HA) (segid "SHRP" and resid   47 and name  HB2) 2.248 0.632 0.632 weight 1.000 ! spec=cnoesy, no=128, id=498, vol=2.851190e+00
    or (segid "SHRP" and resid   44 and name   HA) (segid "SHRP" and resid   47 and name  HB1)
assign (segid "SHRP" and resid   50 and name   HA) (segid "SHRP" and resid   49 and name HD12) 2.277 0.648 0.648 weight 1.000 ! spec=cnoesy, no=130, id=500, vol=2.640970e+00
    or (segid "SHRP" and resid   50 and name   HA) (segid "SHRP" and resid   49 and name HD11)
    or (segid "SHRP" and resid   50 and name   HA) (segid "SHRP" and resid   49 and name HD13)
assign (segid "SHRP" and resid   17 and name   HA) (segid "SHRP" and resid   17 and name  HD2) 2.229 0.621 0.621 weight 1.000 ! spec=cnoesy, no=131, id=501, vol=2.999010e+00
    or (segid "SHRP" and resid   17 and name   HA) (segid "SHRP" and resid   17 and name  HD1)
assign (segid "SHRP" and resid   51 and name   HA) (segid "SHRP" and resid   54 and name  HB2) 3.210 1.288 1.288 weight 1.000 ! spec=cnoesy, no=147, id=514, vol=3.366300e-01
    or (segid "SHRP" and resid   51 and name   HA) (segid "SHRP" and resid   54 and name  HB1)
assign (segid "SHRP" and resid   51 and name   HA) (segid "SHRP" and resid   51 and name  HB2) 2.054 0.527 0.527 weight 1.000 ! spec=cnoesy, no=149, id=516, vol=4.903500e+00
    or (segid "SHRP" and resid   51 and name   HA) (segid "SHRP" and resid   51 and name  HB1)
assign (segid "SHRP" and resid   54 and name  HB2) (segid "SHRP" and resid   54 and name   HA) 1.867 0.436 0.436 weight 1.000 ! spec=cnoesy, no=159, id=520, vol=8.696560e+00
    or (segid "SHRP" and resid   54 and name  HB1) (segid "SHRP" and resid   54 and name   HA)
assign (segid "SHRP" and resid   54 and name   HA) (segid "SHRP" and resid   53 and name  HB1) 3.072 1.180 1.180 weight 1.000 ! spec=cnoesy, no=161, id=522, vol=4.378800e-01
assign (segid "SHRP" and resid   21 and name   HA) (segid "SHRP" and resid   21 and name  HB2) 2.057 0.529 0.529 weight 1.000 ! spec=cnoesy, no=163, id=523, vol=4.853220e+00
    or (segid "SHRP" and resid   21 and name   HA) (segid "SHRP" and resid   21 and name  HB1)
assign (segid "SHRP" and resid   15 and name   HA) (segid "SHRP" and resid   18 and name  HB2) 2.355 0.693 0.693 weight 1.000 ! spec=cnoesy, no=167, id=527, vol=2.155560e+00
    or (segid "SHRP" and resid   15 and name   HA) (segid "SHRP" and resid   18 and name  HB1)
assign (segid "SHRP" and resid    4 and name   HA) (segid "SHRP" and resid    4 and name  HB2) 2.177 0.592 0.592 weight 1.000 ! spec=cnoesy, no=170, id=530, vol=3.462040e+00
assign (segid "SHRP" and resid   47 and name   HA) (segid "SHRP" and resid   50 and name  HD2) 2.333 0.680 0.680 weight 1.000 ! spec=cnoesy, no=177, id=536, vol=2.284310e+00
    or (segid "SHRP" and resid   47 and name   HA) (segid "SHRP" and resid   50 and name  HD1)
assign (segid "SHRP" and resid   47 and name   HA) (segid "SHRP" and resid   50 and name  HG2) 3.140 1.233 1.233 weight 1.000 ! spec=cnoesy, no=178, id=537, vol=3.838400e-01
    or (segid "SHRP" and resid   47 and name   HA) (segid "SHRP" and resid   50 and name  HG1)
assign (segid "SHRP" and resid   47 and name   HA) (segid "SHRP" and resid   66 and name HD22) 2.647 0.876 0.876 weight 1.000 ! spec=cnoesy, no=179, id=538, vol=1.070250e+00
    or (segid "SHRP" and resid   47 and name   HA) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   47 and name   HA) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   47 and name   HA) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   47 and name   HA) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   47 and name   HA) (segid "SHRP" and resid   66 and name HD13)
assign (segid "SHRP" and resid   62 and name  HB2) (segid "SHRP" and resid   62 and name   HA) 1.943 0.472 0.472 weight 1.000 ! spec=cnoesy, no=188, id=542, vol=6.844790e+00
    or (segid "SHRP" and resid   62 and name  HB1) (segid "SHRP" and resid   62 and name   HA)
assign (segid "SHRP" and resid   63 and name  HB2) (segid "SHRP" and resid   63 and name   HA) 1.987 0.494 0.494 weight 1.000 ! spec=cnoesy, no=189, id=543, vol=5.973250e+00
    or (segid "SHRP" and resid   63 and name  HB1) (segid "SHRP" and resid   63 and name   HA)
assign (segid "SHRP" and resid   63 and name   HA) (segid "SHRP" and resid   65 and name HG21) 3.166 1.253 1.253 weight 1.000 ! spec=cnoesy, no=192, id=546, vol=3.655200e-01
    or (segid "SHRP" and resid   63 and name   HA) (segid "SHRP" and resid   65 and name HG22)
    or (segid "SHRP" and resid   63 and name   HA) (segid "SHRP" and resid   65 and name HG23)
assign (segid "SHRP" and resid    8 and name   HA) (segid "SHRP" and resid    8 and name  HG2) 2.339 0.684 0.684 weight 1.000 ! spec=cnoesy, no=194, id=548, vol=2.245310e+00
    or (segid "SHRP" and resid    8 and name   HA) (segid "SHRP" and resid    8 and name  HG1)
assign (segid "SHRP" and resid   21 and name   HA) (segid "SHRP" and resid   24 and name   HB) 2.118 0.561 0.561 weight 1.000 ! spec=cnoesy, no=195, id=549, vol=4.079940e+00
assign (segid "SHRP" and resid   64 and name   HA) (segid "SHRP" and resid   64 and name  HB2) 2.121 0.562 0.562 weight 1.000 ! spec=cnoesy, no=204, id=555, vol=4.043970e+00
    or (segid "SHRP" and resid   64 and name   HA) (segid "SHRP" and resid   64 and name  HB1)
assign (segid "SHRP" and resid   52 and name   HA) (segid "SHRP" and resid   52 and name  HD2) 3.170 1.256 1.256 weight 1.000 ! spec=cnoesy, no=206, id=557, vol=3.626000e-01
    or (segid "SHRP" and resid   52 and name   HA) (segid "SHRP" and resid   52 and name  HD1)
assign (segid "SHRP" and resid   67 and name   HA) (segid "SHRP" and resid   67 and name  HB2) 2.070 0.535 0.535 weight 1.000 ! spec=cnoesy, no=213, id=564, vol=4.683220e+00
    or (segid "SHRP" and resid   67 and name   HA) (segid "SHRP" and resid   67 and name  HB1)
assign (segid "SHRP" and resid   25 and name   HA) (segid "SHRP" and resid   25 and name  HB2) 2.058 0.530 0.530 weight 1.000 ! spec=cnoesy, no=223, id=573, vol=4.837740e+00
    or (segid "SHRP" and resid   25 and name   HA) (segid "SHRP" and resid   25 and name  HB1)
assign (segid "SHRP" and resid    3 and name   HA) (segid "SHRP" and resid    6 and name  HG2) 2.568 0.825 0.825 weight 1.000 ! spec=cnoesy, no=225, id=575, vol=1.282140e+00
    or (segid "SHRP" and resid    3 and name   HA) (segid "SHRP" and resid    6 and name  HG1)
assign (segid "SHRP" and resid    3 and name   HA) (segid "SHRP" and resid    3 and name  HB1) 2.213 0.612 0.612 weight 1.000 ! spec=cnoesy, no=231, id=580, vol=3.135020e+00
assign (segid "SHRP" and resid    3 and name   HA) (segid "SHRP" and resid   60 and name  HG2) 2.947 1.086 1.086 weight 1.000 ! spec=cnoesy, no=232, id=581, vol=5.616500e-01
    or (segid "SHRP" and resid    3 and name   HA) (segid "SHRP" and resid   60 and name  HG1)
assign (segid "SHRP" and resid   19 and name   HA) (segid "SHRP" and resid   19 and name  HB2) 3.066 1.175 1.175 weight 1.000 ! spec=cnoesy, no=244, id=583, vol=4.428200e-01
    or (segid "SHRP" and resid   19 and name   HA) (segid "SHRP" and resid   19 and name  HB1)
assign (segid "SHRP" and resid    7 and name   HA) (segid "SHRP" and resid    7 and name  HB1) 2.113 0.558 0.558 weight 1.000 ! spec=cnoesy, no=252, id=590, vol=4.132090e+00
assign (segid "SHRP" and resid   43 and name  HB2) (segid "SHRP" and resid   40 and name   HA) 2.305 0.664 0.664 weight 1.000 ! spec=cnoesy, no=255, id=593, vol=2.453140e+00
    or (segid "SHRP" and resid   43 and name  HB1) (segid "SHRP" and resid   40 and name   HA)
assign (segid "SHRP" and resid   40 and name   HA) (segid "SHRP" and resid   39 and name  HD2) 2.393 0.716 0.716 weight 1.000 ! spec=cnoesy, no=258, id=596, vol=1.958840e+00
    or (segid "SHRP" and resid   40 and name   HA) (segid "SHRP" and resid   39 and name  HD1)
assign (segid "SHRP" and resid   34 and name   HA) (segid "SHRP" and resid   34 and name  HB2) 1.921 0.461 0.461 weight 1.000 ! spec=cnoesy, no=262, id=599, vol=7.331860e+00
    or (segid "SHRP" and resid   34 and name   HA) (segid "SHRP" and resid   34 and name  HB1)
assign (segid "SHRP" and resid   34 and name   HA) (segid "SHRP" and resid   34 and name  HD2) 2.218 0.615 0.615 weight 1.000 ! spec=cnoesy, no=263, id=600, vol=3.089190e+00
    or (segid "SHRP" and resid   34 and name   HA) (segid "SHRP" and resid   34 and name  HD1)
assign (segid "SHRP" and resid   22 and name   HA) (segid "SHRP" and resid   25 and name  HG2) 2.443 0.746 0.746 weight 1.000 ! spec=cnoesy, no=264, id=601, vol=1.732270e+00
    or (segid "SHRP" and resid   22 and name   HA) (segid "SHRP" and resid   25 and name  HG1)
assign (segid "SHRP" and resid   34 and name   HA) (segid "SHRP" and resid   37 and name  HB2) 2.347 0.688 0.688 weight 1.000 ! spec=cnoesy, no=265, id=602, vol=2.203650e+00
    or (segid "SHRP" and resid   34 and name   HA) (segid "SHRP" and resid   37 and name  HB1)
assign (segid "SHRP" and resid   34 and name   HA) (segid "SHRP" and resid   34 and name  HG2) 2.180 0.594 0.594 weight 1.000 ! spec=cnoesy, no=266, id=603, vol=3.432930e+00
    or (segid "SHRP" and resid   34 and name   HA) (segid "SHRP" and resid   34 and name  HG1)
assign (segid "SHRP" and resid   34 and name   HA) (segid "SHRP" and resid   38 and name HG22) 3.027 1.146 1.146 weight 1.000 ! spec=cnoesy, no=267, id=604, vol=4.781100e-01
    or (segid "SHRP" and resid   34 and name   HA) (segid "SHRP" and resid   38 and name HG21)
    or (segid "SHRP" and resid   34 and name   HA) (segid "SHRP" and resid   38 and name HG23)
    or (segid "SHRP" and resid   34 and name   HA) (segid "SHRP" and resid   38 and name HG12)
    or (segid "SHRP" and resid   34 and name   HA) (segid "SHRP" and resid   38 and name HG11)
    or (segid "SHRP" and resid   34 and name   HA) (segid "SHRP" and resid   38 and name HG13)
assign (segid "SHRP" and resid   22 and name   HA) (segid "SHRP" and resid   21 and name  HB2) 3.252 1.322 1.322 weight 1.000 ! spec=cnoesy, no=268, id=605, vol=3.113300e-01
    or (segid "SHRP" and resid   22 and name   HA) (segid "SHRP" and resid   21 and name  HB1)
assign (segid "SHRP" and resid   60 and name   HA) (segid "SHRP" and resid    6 and name  HD2) 2.535 0.803 0.803 weight 1.000 ! spec=cnoesy, no=270, id=607, vol=1.385970e+00
    or (segid "SHRP" and resid   60 and name   HA) (segid "SHRP" and resid    6 and name  HD1)
assign (segid "SHRP" and resid   60 and name   HA) (segid "SHRP" and resid   60 and name  HG2) 2.261 0.639 0.639 weight 1.000 ! spec=cnoesy, no=271, id=608, vol=2.752130e+00
    or (segid "SHRP" and resid   60 and name   HA) (segid "SHRP" and resid   60 and name  HG1)
assign (segid "SHRP" and resid   27 and name   HA) (segid "SHRP" and resid   27 and name  HB1) 2.114 0.558 0.558 weight 1.000 ! spec=cnoesy, no=275, id=612, vol=4.127840e+00
assign (segid "SHRP" and resid   29 and name   HA) (segid "SHRP" and resid   29 and name  HB2) 1.906 0.454 0.454 weight 1.000 ! spec=cnoesy, no=293, id=613, vol=7.681360e+00
    or (segid "SHRP" and resid   29 and name   HA) (segid "SHRP" and resid   29 and name  HB1)
assign (segid "SHRP" and resid    9 and name   HA) (segid "SHRP" and resid    9 and name  HB1) 3.034 1.151 1.151 weight 1.000 ! spec=cnoesy, no=294, id=614, vol=4.716300e-01
assign (segid "SHRP" and resid   11 and name   HA) (segid "SHRP" and resid   14 and name  HB2) 2.174 0.591 0.591 weight 1.000 ! spec=cnoesy, no=303, id=619, vol=3.485320e+00
    or (segid "SHRP" and resid   11 and name   HA) (segid "SHRP" and resid   14 and name  HB1)
    or (segid "SHRP" and resid   11 and name   HA) (segid "SHRP" and resid   14 and name  HB3)
assign (segid "SHRP" and resid   41 and name   HA) (segid "SHRP" and resid   41 and name  HB2) 2.140 0.573 0.573 weight 1.000 ! spec=cnoesy, no=307, id=623, vol=3.827600e+00
    or (segid "SHRP" and resid   41 and name   HA) (segid "SHRP" and resid   41 and name  HB1)
    or (segid "SHRP" and resid   41 and name   HA) (segid "SHRP" and resid   41 and name  HB3)
assign (segid "SHRP" and resid   35 and name   HA) (segid "SHRP" and resid   38 and name   HB) 2.248 0.632 0.632 weight 1.000 ! spec=cnoesy, no=315, id=627, vol=2.848930e+00
assign (segid "SHRP" and resid   35 and name   HA) (segid "SHRP" and resid   34 and name  HB2) 3.044 1.158 1.158 weight 1.000 ! spec=cnoesy, no=316, id=628, vol=4.629700e-01
    or (segid "SHRP" and resid   35 and name   HA) (segid "SHRP" and resid   34 and name  HB1)
assign (segid "SHRP" and resid   35 and name   HA) (segid "SHRP" and resid   35 and name  HB2) 1.831 0.419 0.419 weight 1.000 ! spec=cnoesy, no=317, id=629, vol=9.757290e+00
    or (segid "SHRP" and resid   35 and name   HA) (segid "SHRP" and resid   35 and name  HB1)
    or (segid "SHRP" and resid   35 and name   HA) (segid "SHRP" and resid   35 and name  HB3)
assign (segid "SHRP" and resid   35 and name   HA) (segid "SHRP" and resid   38 and name HG22) 2.326 0.676 0.676 weight 1.000 ! spec=cnoesy, no=318, id=630, vol=2.326000e+00
    or (segid "SHRP" and resid   35 and name   HA) (segid "SHRP" and resid   38 and name HG21)
    or (segid "SHRP" and resid   35 and name   HA) (segid "SHRP" and resid   38 and name HG23)
    or (segid "SHRP" and resid   35 and name   HA) (segid "SHRP" and resid   38 and name HG12)
    or (segid "SHRP" and resid   35 and name   HA) (segid "SHRP" and resid   38 and name HG11)
    or (segid "SHRP" and resid   35 and name   HA) (segid "SHRP" and resid   38 and name HG13)
assign (segid "SHRP" and resid   35 and name   HA) (segid "SHRP" and resid   20 and name HG12) 2.668 0.890 0.890 weight 1.000 ! spec=cnoesy, no=319, id=631, vol=1.020020e+00
    or (segid "SHRP" and resid   35 and name   HA) (segid "SHRP" and resid   20 and name HG11)
    or (segid "SHRP" and resid   35 and name   HA) (segid "SHRP" and resid   20 and name HG13)
assign (segid "SHRP" and resid   44 and name  HB2) (segid "SHRP" and resid   41 and name   HA) 2.396 0.717 0.717 weight 1.000 ! spec=cnoesy, no=332, id=633, vol=1.947450e+00
    or (segid "SHRP" and resid   44 and name  HB1) (segid "SHRP" and resid   41 and name   HA)
assign (segid "SHRP" and resid   41 and name   HA) (segid "SHRP" and resid   40 and name  HB2) 3.101 1.202 1.202 weight 1.000 ! spec=cnoesy, no=333, id=634, vol=4.137300e-01
    or (segid "SHRP" and resid   41 and name   HA) (segid "SHRP" and resid   40 and name  HB1)
assign (segid "SHRP" and resid   12 and name   HA) (segid "SHRP" and resid   15 and name  HG2) 3.207 1.286 1.286 weight 1.000 ! spec=cnoesy, no=335, id=636, vol=3.382300e-01
assign (segid "SHRP" and resid   12 and name   HA) (segid "SHRP" and resid   15 and name  HB2) 2.384 0.711 0.711 weight 1.000 ! spec=cnoesy, no=337, id=638, vol=2.003180e+00
    or (segid "SHRP" and resid   12 and name   HA) (segid "SHRP" and resid   15 and name  HB1)
assign (segid "SHRP" and resid    1 and name   HA) (segid "SHRP" and resid    1 and name  HG2) 2.485 0.772 0.772 weight 1.000 ! spec=cnoesy, no=339, id=640, vol=1.561660e+00
    or (segid "SHRP" and resid    1 and name   HA) (segid "SHRP" and resid    1 and name  HG1)
assign (segid "SHRP" and resid   36 and name   HA) (segid "SHRP" and resid   20 and name   HB) 2.229 0.621 0.621 weight 1.000 ! spec=cnoesy, no=340, id=641, vol=3.004940e+00
assign (segid "SHRP" and resid   14 and name   HA) (segid "SHRP" and resid   17 and name  HB2) 2.400 0.720 0.720 weight 1.000 ! spec=cnoesy, no=345, id=645, vol=1.926430e+00
    or (segid "SHRP" and resid   14 and name   HA) (segid "SHRP" and resid   17 and name  HB1)
assign (segid "SHRP" and resid   16 and name   HA) (segid "SHRP" and resid   19 and name  HB2) 2.374 0.704 0.704 weight 1.000 ! spec=cnoesy, no=360, id=651, vol=2.056080e+00
    or (segid "SHRP" and resid   16 and name   HA) (segid "SHRP" and resid   19 and name  HB1)
assign (segid "SHRP" and resid   16 and name   HA) (segid "SHRP" and resid   20 and name HG22) 3.097 1.199 1.199 weight 1.000 ! spec=cnoesy, no=363, id=654, vol=4.168200e-01
    or (segid "SHRP" and resid   16 and name   HA) (segid "SHRP" and resid   20 and name HG21)
    or (segid "SHRP" and resid   16 and name   HA) (segid "SHRP" and resid   20 and name HG23)
assign (segid "SHRP" and resid   61 and name   HA) (segid "SHRP" and resid    2 and name  HB2) 2.990 1.117 1.117 weight 1.000 ! spec=cnoesy, no=371, id=657, vol=5.155800e-01
    or (segid "SHRP" and resid   61 and name   HA) (segid "SHRP" and resid    2 and name  HB1)
assign (segid "SHRP" and resid   61 and name   HA) (segid "SHRP" and resid   61 and name  HB2) 1.903 0.453 0.453 weight 1.000 ! spec=cnoesy, no=372, id=658, vol=7.751140e+00
    or (segid "SHRP" and resid   61 and name   HA) (segid "SHRP" and resid   61 and name  HB1)
    or (segid "SHRP" and resid   61 and name   HA) (segid "SHRP" and resid   61 and name  HB3)
assign (segid "SHRP" and resid   32 and name  HA2) (segid "SHRP" and resid   28 and name  HG2) 2.683 0.900 0.900 weight 1.000 ! spec=cnoesy, no=387, id=660, vol=9.862400e-01
    or (segid "SHRP" and resid   32 and name  HA2) (segid "SHRP" and resid   28 and name  HG1)
assign (segid "SHRP" and resid   32 and name  HA2) (segid "SHRP" and resid   32 and name  HA1) 1.675 0.351 0.351 weight 1.000 ! spec=cnoesy, no=389, id=662, vol=1.666586e+01
assign (segid "SHRP" and resid   39 and name  HD2) (segid "SHRP" and resid   16 and name  HB2) 2.332 0.680 0.680 weight 1.000 ! spec=cnoesy, no=397, id=665, vol=2.288730e+00
    or (segid "SHRP" and resid   39 and name  HD2) (segid "SHRP" and resid   16 and name  HB1)
    or (segid "SHRP" and resid   39 and name  HD2) (segid "SHRP" and resid   16 and name  HB3)
    or (segid "SHRP" and resid   39 and name  HD1) (segid "SHRP" and resid   16 and name  HB2)
    or (segid "SHRP" and resid   39 and name  HD1) (segid "SHRP" and resid   16 and name  HB1)
    or (segid "SHRP" and resid   39 and name  HD1) (segid "SHRP" and resid   16 and name  HB3)
assign (segid "SHRP" and resid    3 and name   HA) (segid "SHRP" and resid    6 and name  HD2) 2.621 0.859 0.859 weight 1.000 ! spec=cnoesy, no=398, id=666, vol=1.134920e+00
    or (segid "SHRP" and resid    3 and name   HA) (segid "SHRP" and resid    6 and name  HD1)
assign (segid "SHRP" and resid   39 and name  HD2) (segid "SHRP" and resid   40 and name  HB2) 2.998 1.124 1.124 weight 1.000 ! spec=cnoesy, no=399, id=667, vol=5.067700e-01
    or (segid "SHRP" and resid   39 and name  HD2) (segid "SHRP" and resid   40 and name  HB1)
    or (segid "SHRP" and resid   39 and name  HD1) (segid "SHRP" and resid   40 and name  HB2)
    or (segid "SHRP" and resid   39 and name  HD1) (segid "SHRP" and resid   40 and name  HB1)
assign (segid "SHRP" and resid   39 and name  HD2) (segid "SHRP" and resid   39 and name  HB2) 2.487 0.773 0.773 weight 1.000 ! spec=cnoesy, no=403, id=671, vol=1.554590e+00
    or (segid "SHRP" and resid   39 and name  HD1) (segid "SHRP" and resid   39 and name  HB2)
assign (segid "SHRP" and resid   39 and name  HD2) (segid "SHRP" and resid   43 and name  HB2) 2.903 1.053 1.053 weight 1.000 ! spec=cnoesy, no=405, id=673, vol=6.153400e-01
    or (segid "SHRP" and resid   39 and name  HD2) (segid "SHRP" and resid   43 and name  HB1)
    or (segid "SHRP" and resid   39 and name  HD1) (segid "SHRP" and resid   43 and name  HB2)
    or (segid "SHRP" and resid   39 and name  HD1) (segid "SHRP" and resid   43 and name  HB1)
assign (segid "SHRP" and resid   24 and name   HA) (segid "SHRP" and resid   27 and name  HB2) 2.537 0.804 0.804 weight 1.000 ! spec=cnoesy, no=421, id=675, vol=1.381760e+00
assign (segid "SHRP" and resid   27 and name  HB2) (segid "SHRP" and resid   27 and name  HB1) 1.709 0.365 0.365 weight 1.000 ! spec=cnoesy, no=426, id=680, vol=1.479090e+01
assign (segid "SHRP" and resid   27 and name  HB1) (segid "SHRP" and resid   27 and name HD22) 2.049 0.525 0.525 weight 1.000 ! spec=cnoesy, no=428, id=682, vol=4.966950e+00
    or (segid "SHRP" and resid   27 and name  HB1) (segid "SHRP" and resid   27 and name HD21)
    or (segid "SHRP" and resid   27 and name  HB1) (segid "SHRP" and resid   27 and name HD23)
    or (segid "SHRP" and resid   27 and name  HB1) (segid "SHRP" and resid   27 and name HD12)
    or (segid "SHRP" and resid   27 and name  HB1) (segid "SHRP" and resid   27 and name HD11)
    or (segid "SHRP" and resid   27 and name  HB1) (segid "SHRP" and resid   27 and name HD13)
assign (segid "SHRP" and resid   34 and name  HE2) (segid "SHRP" and resid   37 and name  HB2) 2.918 1.064 1.064 weight 1.000 ! spec=cnoesy, no=444, id=689, vol=5.962000e-01
    or (segid "SHRP" and resid   34 and name  HE2) (segid "SHRP" and resid   37 and name  HB1)
    or (segid "SHRP" and resid   34 and name  HE1) (segid "SHRP" and resid   37 and name  HB2)
    or (segid "SHRP" and resid   34 and name  HE1) (segid "SHRP" and resid   37 and name  HB1)
assign (segid "SHRP" and resid   34 and name  HE2) (segid "SHRP" and resid   38 and name HG22) 2.670 0.891 0.891 weight 1.000 ! spec=cnoesy, no=445, id=690, vol=1.016530e+00
    or (segid "SHRP" and resid   34 and name  HE2) (segid "SHRP" and resid   38 and name HG21)
    or (segid "SHRP" and resid   34 and name  HE2) (segid "SHRP" and resid   38 and name HG23)
    or (segid "SHRP" and resid   34 and name  HE2) (segid "SHRP" and resid   38 and name HG12)
    or (segid "SHRP" and resid   34 and name  HE2) (segid "SHRP" and resid   38 and name HG11)
    or (segid "SHRP" and resid   34 and name  HE2) (segid "SHRP" and resid   38 and name HG13)
    or (segid "SHRP" and resid   34 and name  HE1) (segid "SHRP" and resid   38 and name HG22)
    or (segid "SHRP" and resid   34 and name  HE1) (segid "SHRP" and resid   38 and name HG21)
    or (segid "SHRP" and resid   34 and name  HE1) (segid "SHRP" and resid   38 and name HG23)
    or (segid "SHRP" and resid   34 and name  HE1) (segid "SHRP" and resid   38 and name HG12)
    or (segid "SHRP" and resid   34 and name  HE1) (segid "SHRP" and resid   38 and name HG11)
    or (segid "SHRP" and resid   34 and name  HE1) (segid "SHRP" and resid   38 and name HG13)
assign (segid "SHRP" and resid    2 and name  HB2) (segid "SHRP" and resid    2 and name   HA) 2.280 0.650 0.650 weight 1.000 ! spec=cnoesy, no=446, id=691, vol=2.620800e+00
    or (segid "SHRP" and resid    2 and name  HB1) (segid "SHRP" and resid    2 and name   HA)
assign (segid "SHRP" and resid   66 and name   HA) (segid "SHRP" and resid   66 and name  HB2) 2.339 0.684 0.684 weight 1.000 ! spec=cnoesy, no=461, id=702, vol=2.247580e+00
    or (segid "SHRP" and resid   66 and name   HA) (segid "SHRP" and resid   66 and name  HB1)
assign (segid "SHRP" and resid   66 and name  HB2) (segid "SHRP" and resid   66 and name HD22) 2.246 0.630 0.630 weight 1.000 ! spec=cnoesy, no=462, id=703, vol=2.868450e+00
    or (segid "SHRP" and resid   66 and name  HB2) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   66 and name  HB2) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   66 and name  HB2) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   66 and name  HB2) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   66 and name  HB2) (segid "SHRP" and resid   66 and name HD13)
    or (segid "SHRP" and resid   66 and name  HB1) (segid "SHRP" and resid   66 and name HD22)
    or (segid "SHRP" and resid   66 and name  HB1) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   66 and name  HB1) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   66 and name  HB1) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   66 and name  HB1) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   66 and name  HB1) (segid "SHRP" and resid   66 and name HD13)
assign (segid "SHRP" and resid   53 and name   HA) (segid "SHRP" and resid   53 and name  HB1) 2.247 0.631 0.631 weight 1.000 ! spec=cnoesy, no=463, id=704, vol=2.856710e+00
assign (segid "SHRP" and resid   53 and name  HB2) (segid "SHRP" and resid   53 and name  HB1) 1.785 0.398 0.398 weight 1.000 ! spec=cnoesy, no=465, id=706, vol=1.138267e+01
assign (segid "SHRP" and resid   47 and name   HA) (segid "SHRP" and resid   50 and name  HE2) 3.032 1.149 1.149 weight 1.000 ! spec=cnoesy, no=470, id=708, vol=4.734000e-01
    or (segid "SHRP" and resid   47 and name   HA) (segid "SHRP" and resid   50 and name  HE1)
assign (segid "SHRP" and resid   50 and name  HE2) (segid "SHRP" and resid   50 and name  HB2) 2.805 0.984 0.984 weight 1.000 ! spec=cnoesy, no=471, id=709, vol=7.549100e-01
    or (segid "SHRP" and resid   50 and name  HE2) (segid "SHRP" and resid   50 and name  HB1)
    or (segid "SHRP" and resid   50 and name  HE1) (segid "SHRP" and resid   50 and name  HB2)
    or (segid "SHRP" and resid   50 and name  HE1) (segid "SHRP" and resid   50 and name  HB1)
assign (segid "SHRP" and resid   50 and name  HE2) (segid "SHRP" and resid   50 and name  HD2) 2.208 0.610 0.610 weight 1.000 ! spec=cnoesy, no=472, id=710, vol=3.174000e+00
    or (segid "SHRP" and resid   50 and name  HE2) (segid "SHRP" and resid   50 and name  HD1)
    or (segid "SHRP" and resid   50 and name  HE1) (segid "SHRP" and resid   50 and name  HD2)
    or (segid "SHRP" and resid   50 and name  HE1) (segid "SHRP" and resid   50 and name  HD1)
assign (segid "SHRP" and resid   50 and name  HE2) (segid "SHRP" and resid   50 and name  HG2) 2.714 0.921 0.921 weight 1.000 ! spec=cnoesy, no=473, id=711, vol=9.201000e-01
    or (segid "SHRP" and resid   50 and name  HE2) (segid "SHRP" and resid   50 and name  HG1)
    or (segid "SHRP" and resid   50 and name  HE1) (segid "SHRP" and resid   50 and name  HG2)
    or (segid "SHRP" and resid   50 and name  HE1) (segid "SHRP" and resid   50 and name  HG1)
assign (segid "SHRP" and resid   30 and name  HB2) (segid "SHRP" and resid   30 and name   HA) 2.196 0.603 0.603 weight 1.000 ! spec=cnoesy, no=476, id=714, vol=3.278920e+00
    or (segid "SHRP" and resid   30 and name  HB1) (segid "SHRP" and resid   30 and name   HA)
assign (segid "SHRP" and resid   29 and name  HB2) (segid "SHRP" and resid   25 and name  HG2) 2.951 1.088 1.088 weight 1.000 ! spec=cnoesy, no=478, id=716, vol=5.578000e-01
    or (segid "SHRP" and resid   29 and name  HB2) (segid "SHRP" and resid   25 and name  HG1)
    or (segid "SHRP" and resid   29 and name  HB1) (segid "SHRP" and resid   25 and name  HG2)
    or (segid "SHRP" and resid   29 and name  HB1) (segid "SHRP" and resid   25 and name  HG1)
assign (segid "SHRP" and resid   29 and name  HB2) (segid "SHRP" and resid   24 and name HG22) 2.982 1.112 1.112 weight 1.000 ! spec=cnoesy, no=480, id=718, vol=5.230800e-01
    or (segid "SHRP" and resid   29 and name  HB2) (segid "SHRP" and resid   24 and name HG21)
    or (segid "SHRP" and resid   29 and name  HB2) (segid "SHRP" and resid   24 and name HG23)
    or (segid "SHRP" and resid   29 and name  HB1) (segid "SHRP" and resid   24 and name HG22)
    or (segid "SHRP" and resid   29 and name  HB1) (segid "SHRP" and resid   24 and name HG21)
    or (segid "SHRP" and resid   29 and name  HB1) (segid "SHRP" and resid   24 and name HG23)
assign (segid "SHRP" and resid   30 and name  HB2) (segid "SHRP" and resid   31 and name HG22) 2.999 1.124 1.124 weight 1.000 ! spec=cnoesy, no=483, id=721, vol=5.057000e-01
    or (segid "SHRP" and resid   30 and name  HB2) (segid "SHRP" and resid   31 and name HG21)
    or (segid "SHRP" and resid   30 and name  HB2) (segid "SHRP" and resid   31 and name HG23)
    or (segid "SHRP" and resid   30 and name  HB2) (segid "SHRP" and resid   31 and name HG12)
    or (segid "SHRP" and resid   30 and name  HB2) (segid "SHRP" and resid   31 and name HG11)
    or (segid "SHRP" and resid   30 and name  HB2) (segid "SHRP" and resid   31 and name HG13)
    or (segid "SHRP" and resid   30 and name  HB1) (segid "SHRP" and resid   31 and name HG22)
    or (segid "SHRP" and resid   30 and name  HB1) (segid "SHRP" and resid   31 and name HG21)
    or (segid "SHRP" and resid   30 and name  HB1) (segid "SHRP" and resid   31 and name HG23)
    or (segid "SHRP" and resid   30 and name  HB1) (segid "SHRP" and resid   31 and name HG12)
    or (segid "SHRP" and resid   30 and name  HB1) (segid "SHRP" and resid   31 and name HG11)
    or (segid "SHRP" and resid   30 and name  HB1) (segid "SHRP" and resid   31 and name HG13)
assign (segid "SHRP" and resid    7 and name  HB2) (segid "SHRP" and resid    7 and name  HB1) 1.607 0.323 0.323 weight 1.000 ! spec=cnoesy, no=490, id=724, vol=2.140620e+01
assign (segid "SHRP" and resid   37 and name   HA) (segid "SHRP" and resid   40 and name  HB2) 2.345 0.688 0.688 weight 1.000 ! spec=cnoesy, no=493, id=727, vol=2.211970e+00
    or (segid "SHRP" and resid   37 and name   HA) (segid "SHRP" and resid   40 and name  HB1)
assign (segid "SHRP" and resid   22 and name  HB1) (segid "SHRP" and resid   21 and name  HB2) 3.185 1.268 1.268 weight 1.000 ! spec=cnoesy, no=502, id=733, vol=3.522800e-01
    or (segid "SHRP" and resid   22 and name  HB1) (segid "SHRP" and resid   21 and name  HB1)
assign (segid "SHRP" and resid    7 and name  HB1) (segid "SHRP" and resid    6 and name  HB2) 3.244 1.316 1.316 weight 1.000 ! spec=cnoesy, no=505, id=736, vol=3.157300e-01
    or (segid "SHRP" and resid    7 and name  HB1) (segid "SHRP" and resid    6 and name  HB1)
assign (segid "SHRP" and resid    4 and name   HA) (segid "SHRP" and resid    7 and name  HB1) 2.621 0.859 0.859 weight 1.000 ! spec=cnoesy, no=517, id=743, vol=1.134680e+00
assign (segid "SHRP" and resid   29 and name   HA) (segid "SHRP" and resid   33 and name  HB2) 2.282 0.651 0.651 weight 1.000 ! spec=cnoesy, no=524, id=746, vol=2.603860e+00
    or (segid "SHRP" and resid   29 and name   HA) (segid "SHRP" and resid   33 and name  HB1)
assign (segid "SHRP" and resid   33 and name  HB2) (segid "SHRP" and resid   33 and name   HA) 1.972 0.486 0.486 weight 1.000 ! spec=cnoesy, no=536, id=749, vol=6.263610e+00
    or (segid "SHRP" and resid   33 and name  HB1) (segid "SHRP" and resid   33 and name   HA)
assign (segid "SHRP" and resid    8 and name   HA) (segid "SHRP" and resid   11 and name  HB2) 2.287 0.654 0.654 weight 1.000 ! spec=cnoesy, no=542, id=755, vol=2.568990e+00
    or (segid "SHRP" and resid    8 and name   HA) (segid "SHRP" and resid   11 and name  HB1)
assign (segid "SHRP" and resid    4 and name  HG2) (segid "SHRP" and resid   66 and name HD22) 3.188 1.271 1.271 weight 1.000 ! spec=cnoesy, no=560, id=765, vol=3.505200e-01
    or (segid "SHRP" and resid    4 and name  HG2) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid    4 and name  HG2) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid    4 and name  HG2) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid    4 and name  HG2) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid    4 and name  HG2) (segid "SHRP" and resid   66 and name HD13)
    or (segid "SHRP" and resid    4 and name  HG1) (segid "SHRP" and resid   66 and name HD22)
    or (segid "SHRP" and resid    4 and name  HG1) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid    4 and name  HG1) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid    4 and name  HG1) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid    4 and name  HG1) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid    4 and name  HG1) (segid "SHRP" and resid   66 and name HD13)
assign (segid "SHRP" and resid    4 and name  HG2) (segid "SHRP" and resid    4 and name  HB1) 3.040 1.155 1.155 weight 1.000 ! spec=cnoesy, no=563, id=768, vol=4.664500e-01
    or (segid "SHRP" and resid    4 and name  HG1) (segid "SHRP" and resid    4 and name  HB1)
assign (segid "SHRP" and resid   37 and name  HG2) (segid "SHRP" and resid   34 and name  HD2) 3.158 1.247 1.247 weight 1.000 ! spec=cnoesy, no=577, id=776, vol=3.711000e-01
    or (segid "SHRP" and resid   37 and name  HG2) (segid "SHRP" and resid   34 and name  HD1)
    or (segid "SHRP" and resid   37 and name  HG1) (segid "SHRP" and resid   34 and name  HD2)
    or (segid "SHRP" and resid   37 and name  HG1) (segid "SHRP" and resid   34 and name  HD1)
assign (segid "SHRP" and resid   37 and name  HG2) (segid "SHRP" and resid   34 and name   HA) 2.767 0.957 0.957 weight 1.000 ! spec=cnoesy, no=578, id=777, vol=8.208500e-01
    or (segid "SHRP" and resid   37 and name  HG1) (segid "SHRP" and resid   34 and name   HA)
assign (segid "SHRP" and resid   47 and name   HA) (segid "SHRP" and resid    4 and name  HG2) 2.390 0.714 0.714 weight 1.000 ! spec=cnoesy, no=583, id=782, vol=1.973880e+00
    or (segid "SHRP" and resid   47 and name   HA) (segid "SHRP" and resid    4 and name  HG1)
assign (segid "SHRP" and resid    4 and name  HG2) (segid "SHRP" and resid   50 and name  HD2) 3.245 1.316 1.316 weight 1.000 ! spec=cnoesy, no=585, id=784, vol=3.153100e-01
    or (segid "SHRP" and resid    4 and name  HG2) (segid "SHRP" and resid   50 and name  HD1)
    or (segid "SHRP" and resid    4 and name  HG1) (segid "SHRP" and resid   50 and name  HD2)
    or (segid "SHRP" and resid    4 and name  HG1) (segid "SHRP" and resid   50 and name  HD1)
assign (segid "SHRP" and resid   15 and name  HG2) (segid "SHRP" and resid   15 and name  HG1) 1.411 0.249 0.249 weight 1.000 ! spec=cnoesy, no=586, id=785, vol=4.655407e+01
assign (segid "SHRP" and resid   26 and name   HA) (segid "SHRP" and resid   26 and name  HG2) 2.500 0.781 0.781 weight 1.000 ! spec=cnoesy, no=589, id=788, vol=1.506610e+00
assign (segid "SHRP" and resid   26 and name  HG1) (segid "SHRP" and resid   26 and name  HG2) 1.648 0.339 0.339 weight 1.000 ! spec=cnoesy, no=590, id=789, vol=1.839763e+01
assign (segid "SHRP" and resid   26 and name  HG2) (segid "SHRP" and resid   27 and name HD22) 3.054 1.166 1.166 weight 1.000 ! spec=cnoesy, no=591, id=790, vol=4.537900e-01
    or (segid "SHRP" and resid   26 and name  HG2) (segid "SHRP" and resid   27 and name HD21)
    or (segid "SHRP" and resid   26 and name  HG2) (segid "SHRP" and resid   27 and name HD23)
    or (segid "SHRP" and resid   26 and name  HG2) (segid "SHRP" and resid   27 and name HD12)
    or (segid "SHRP" and resid   26 and name  HG2) (segid "SHRP" and resid   27 and name HD11)
    or (segid "SHRP" and resid   26 and name  HG2) (segid "SHRP" and resid   27 and name HD13)
assign (segid "SHRP" and resid    4 and name  HG2) (segid "SHRP" and resid   47 and name  HG2) 2.273 0.646 0.646 weight 1.000 ! spec=cnoesy, no=593, id=792, vol=2.672350e+00
    or (segid "SHRP" and resid    4 and name  HG2) (segid "SHRP" and resid   47 and name  HG1)
    or (segid "SHRP" and resid    4 and name  HG1) (segid "SHRP" and resid   47 and name  HG2)
    or (segid "SHRP" and resid    4 and name  HG1) (segid "SHRP" and resid   47 and name  HG1)
assign (segid "SHRP" and resid   47 and name  HG2) (segid "SHRP" and resid    8 and name  HG2) 2.336 0.682 0.682 weight 1.000 ! spec=cnoesy, no=596, id=795, vol=2.266480e+00
    or (segid "SHRP" and resid   47 and name  HG2) (segid "SHRP" and resid    8 and name  HG1)
    or (segid "SHRP" and resid   47 and name  HG1) (segid "SHRP" and resid    8 and name  HG2)
    or (segid "SHRP" and resid   47 and name  HG1) (segid "SHRP" and resid    8 and name  HG1)
assign (segid "SHRP" and resid    8 and name  HG2) (segid "SHRP" and resid   47 and name   HA) 3.037 1.153 1.153 weight 1.000 ! spec=cnoesy, no=611, id=800, vol=4.687400e-01
    or (segid "SHRP" and resid    8 and name  HG1) (segid "SHRP" and resid   47 and name   HA)
assign (segid "SHRP" and resid    3 and name  HG2) (segid "SHRP" and resid    3 and name  HB2) 1.924 0.463 0.463 weight 1.000 ! spec=cnoesy, no=616, id=804, vol=7.260030e+00
    or (segid "SHRP" and resid    3 and name  HG1) (segid "SHRP" and resid    3 and name  HB2)
assign (segid "SHRP" and resid    3 and name  HG2) (segid "SHRP" and resid    3 and name  HB1) 1.952 0.476 0.476 weight 1.000 ! spec=cnoesy, no=617, id=805, vol=6.663670e+00
    or (segid "SHRP" and resid    3 and name  HG1) (segid "SHRP" and resid    3 and name  HB1)
assign (segid "SHRP" and resid   25 and name  HG2) (segid "SHRP" and resid   21 and name   HA) 3.160 1.248 1.248 weight 1.000 ! spec=cnoesy, no=620, id=808, vol=3.700000e-01
    or (segid "SHRP" and resid   25 and name  HG1) (segid "SHRP" and resid   21 and name   HA)
assign (segid "SHRP" and resid   25 and name   HA) (segid "SHRP" and resid   25 and name  HG2) 2.211 0.611 0.611 weight 1.000 ! spec=cnoesy, no=621, id=809, vol=3.150110e+00
    or (segid "SHRP" and resid   25 and name   HA) (segid "SHRP" and resid   25 and name  HG1)
assign (segid "SHRP" and resid   25 and name  HG2) (segid "SHRP" and resid   25 and name  HB2) 1.684 0.354 0.354 weight 1.000 ! spec=cnoesy, no=622, id=810, vol=1.615577e+01
    or (segid "SHRP" and resid   25 and name  HG2) (segid "SHRP" and resid   25 and name  HB1)
    or (segid "SHRP" and resid   25 and name  HG1) (segid "SHRP" and resid   25 and name  HB2)
    or (segid "SHRP" and resid   25 and name  HG1) (segid "SHRP" and resid   25 and name  HB1)
assign (segid "SHRP" and resid   25 and name  HG2) (segid "SHRP" and resid   17 and name  HD2) 3.171 1.257 1.257 weight 1.000 ! spec=cnoesy, no=623, id=811, vol=3.623100e-01
    or (segid "SHRP" and resid   25 and name  HG2) (segid "SHRP" and resid   17 and name  HD1)
    or (segid "SHRP" and resid   25 and name  HG1) (segid "SHRP" and resid   17 and name  HD2)
    or (segid "SHRP" and resid   25 and name  HG1) (segid "SHRP" and resid   17 and name  HD1)
assign (segid "SHRP" and resid   25 and name  HG2) (segid "SHRP" and resid   24 and name HG22) 2.854 1.018 1.018 weight 1.000 ! spec=cnoesy, no=624, id=812, vol=6.804600e-01
    or (segid "SHRP" and resid   25 and name  HG2) (segid "SHRP" and resid   24 and name HG21)
    or (segid "SHRP" and resid   25 and name  HG2) (segid "SHRP" and resid   24 and name HG23)
    or (segid "SHRP" and resid   25 and name  HG1) (segid "SHRP" and resid   24 and name HG22)
    or (segid "SHRP" and resid   25 and name  HG1) (segid "SHRP" and resid   24 and name HG21)
    or (segid "SHRP" and resid   25 and name  HG1) (segid "SHRP" and resid   24 and name HG23)
assign (segid "SHRP" and resid    4 and name  HG2) (segid "SHRP" and resid    1 and name  HB2) 2.506 0.785 0.785 weight 1.000 ! spec=cnoesy, no=639, id=817, vol=1.486600e+00
    or (segid "SHRP" and resid    4 and name  HG2) (segid "SHRP" and resid    1 and name  HB1)
    or (segid "SHRP" and resid    4 and name  HG1) (segid "SHRP" and resid    1 and name  HB2)
    or (segid "SHRP" and resid    4 and name  HG1) (segid "SHRP" and resid    1 and name  HB1)
assign (segid "SHRP" and resid   52 and name  HB2) (segid "SHRP" and resid    1 and name  HG2) 1.785 0.398 0.398 weight 1.000 ! spec=cnoesy, no=646, id=820, vol=1.137242e+01
    or (segid "SHRP" and resid   52 and name  HB2) (segid "SHRP" and resid    1 and name  HG1)
    or (segid "SHRP" and resid   52 and name  HB1) (segid "SHRP" and resid    1 and name  HG2)
    or (segid "SHRP" and resid   52 and name  HB1) (segid "SHRP" and resid    1 and name  HG1)
assign (segid "SHRP" and resid   52 and name  HB2) (segid "SHRP" and resid   52 and name  HE2) 2.198 0.604 0.604 weight 1.000 ! spec=cnoesy, no=648, id=822, vol=3.264580e+00
    or (segid "SHRP" and resid   52 and name  HB2) (segid "SHRP" and resid   52 and name  HE1)
    or (segid "SHRP" and resid   52 and name  HB1) (segid "SHRP" and resid   52 and name  HE2)
    or (segid "SHRP" and resid   52 and name  HB1) (segid "SHRP" and resid   52 and name  HE1)
assign (segid "SHRP" and resid    8 and name  HG2) (segid "SHRP" and resid    8 and name  HB2) 2.116 0.560 0.560 weight 1.000 ! spec=cnoesy, no=653, id=826, vol=4.104340e+00
    or (segid "SHRP" and resid    8 and name  HG2) (segid "SHRP" and resid    8 and name  HB1)
    or (segid "SHRP" and resid    8 and name  HG1) (segid "SHRP" and resid    8 and name  HB2)
    or (segid "SHRP" and resid    8 and name  HG1) (segid "SHRP" and resid    8 and name  HB1)
assign (segid "SHRP" and resid    8 and name  HG2) (segid "SHRP" and resid   12 and name  HB2) 3.239 1.311 1.311 weight 1.000 ! spec=cnoesy, no=654, id=827, vol=3.188100e-01
    or (segid "SHRP" and resid    8 and name  HG2) (segid "SHRP" and resid   12 and name  HB1)
    or (segid "SHRP" and resid    8 and name  HG2) (segid "SHRP" and resid   12 and name  HB3)
    or (segid "SHRP" and resid    8 and name  HG1) (segid "SHRP" and resid   12 and name  HB2)
    or (segid "SHRP" and resid    8 and name  HG1) (segid "SHRP" and resid   12 and name  HB1)
    or (segid "SHRP" and resid    8 and name  HG1) (segid "SHRP" and resid   12 and name  HB3)
assign (segid "SHRP" and resid    8 and name  HG2) (segid "SHRP" and resid    4 and name  HB2) 2.171 0.589 0.589 weight 1.000 ! spec=cnoesy, no=656, id=828, vol=3.512380e+00
    or (segid "SHRP" and resid    8 and name  HG1) (segid "SHRP" and resid    4 and name  HB2)
assign (segid "SHRP" and resid   51 and name  HB2) (segid "SHRP" and resid    1 and name  HG2) 2.351 0.691 0.691 weight 1.000 ! spec=cnoesy, no=660, id=830, vol=2.180070e+00
    or (segid "SHRP" and resid   51 and name  HB2) (segid "SHRP" and resid    1 and name  HG1)
    or (segid "SHRP" and resid   51 and name  HB1) (segid "SHRP" and resid    1 and name  HG2)
    or (segid "SHRP" and resid   51 and name  HB1) (segid "SHRP" and resid    1 and name  HG1)
assign (segid "SHRP" and resid    1 and name  HB2) (segid "SHRP" and resid   66 and name HD22) 2.746 0.943 0.943 weight 1.000 ! spec=cnoesy, no=669, id=836, vol=8.583100e-01
    or (segid "SHRP" and resid    1 and name  HB2) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid    1 and name  HB2) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid    1 and name  HB2) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid    1 and name  HB2) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid    1 and name  HB2) (segid "SHRP" and resid   66 and name HD13)
    or (segid "SHRP" and resid    1 and name  HB1) (segid "SHRP" and resid   66 and name HD22)
    or (segid "SHRP" and resid    1 and name  HB1) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid    1 and name  HB1) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid    1 and name  HB1) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid    1 and name  HB1) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid    1 and name  HB1) (segid "SHRP" and resid   66 and name HD13)
assign (segid "SHRP" and resid    1 and name   HA) (segid "SHRP" and resid    1 and name  HB2) 2.165 0.586 0.586 weight 1.000 ! spec=cnoesy, no=670, id=837, vol=3.578070e+00
    or (segid "SHRP" and resid    1 and name   HA) (segid "SHRP" and resid    1 and name  HB1)
assign (segid "SHRP" and resid   51 and name  HB2) (segid "SHRP" and resid    4 and name  HG2) 1.950 0.475 0.475 weight 1.000 ! spec=cnoesy, no=671, id=838, vol=6.702440e+00
    or (segid "SHRP" and resid   51 and name  HB2) (segid "SHRP" and resid    4 and name  HG1)
    or (segid "SHRP" and resid   51 and name  HB1) (segid "SHRP" and resid    4 and name  HG2)
    or (segid "SHRP" and resid   51 and name  HB1) (segid "SHRP" and resid    4 and name  HG1)
assign (segid "SHRP" and resid   50 and name  HB2) (segid "SHRP" and resid   49 and name HD12) 2.756 0.949 0.949 weight 1.000 ! spec=cnoesy, no=674, id=841, vol=8.399600e-01
    or (segid "SHRP" and resid   50 and name  HB2) (segid "SHRP" and resid   49 and name HD11)
    or (segid "SHRP" and resid   50 and name  HB2) (segid "SHRP" and resid   49 and name HD13)
    or (segid "SHRP" and resid   50 and name  HB1) (segid "SHRP" and resid   49 and name HD12)
    or (segid "SHRP" and resid   50 and name  HB1) (segid "SHRP" and resid   49 and name HD11)
    or (segid "SHRP" and resid   50 and name  HB1) (segid "SHRP" and resid   49 and name HD13)
assign (segid "SHRP" and resid   51 and name  HB2) (segid "SHRP" and resid    2 and name  HB2) 2.767 0.957 0.957 weight 1.000 ! spec=cnoesy, no=689, id=845, vol=8.204800e-01
    or (segid "SHRP" and resid   51 and name  HB2) (segid "SHRP" and resid    2 and name  HB1)
    or (segid "SHRP" and resid   51 and name  HB1) (segid "SHRP" and resid    2 and name  HB2)
    or (segid "SHRP" and resid   51 and name  HB1) (segid "SHRP" and resid    2 and name  HB1)
assign (segid "SHRP" and resid   51 and name  HB2) (segid "SHRP" and resid   50 and name  HD2) 2.342 0.685 0.685 weight 1.000 ! spec=cnoesy, no=690, id=846, vol=2.231840e+00
    or (segid "SHRP" and resid   51 and name  HB2) (segid "SHRP" and resid   50 and name  HD1)
    or (segid "SHRP" and resid   51 and name  HB1) (segid "SHRP" and resid   50 and name  HD2)
    or (segid "SHRP" and resid   51 and name  HB1) (segid "SHRP" and resid   50 and name  HD1)
assign (segid "SHRP" and resid   51 and name  HB2) (segid "SHRP" and resid    4 and name  HB1) 2.045 0.523 0.523 weight 1.000 ! spec=cnoesy, no=691, id=847, vol=5.035310e+00
    or (segid "SHRP" and resid   51 and name  HB1) (segid "SHRP" and resid    4 and name  HB1)
assign (segid "SHRP" and resid   28 and name  HB2) (segid "SHRP" and resid   32 and name  HA2) 2.201 0.606 0.606 weight 1.000 ! spec=cnoesy, no=694, id=850, vol=3.237830e+00
    or (segid "SHRP" and resid   28 and name  HB1) (segid "SHRP" and resid   32 and name  HA2)
assign (segid "SHRP" and resid   10 and name  HE2) (segid "SHRP" and resid   10 and name  HB2) 2.426 0.736 0.736 weight 1.000 ! spec=cnoesy, no=695, id=851, vol=1.805190e+00
    or (segid "SHRP" and resid   10 and name  HE2) (segid "SHRP" and resid   10 and name  HB1)
    or (segid "SHRP" and resid   10 and name  HE1) (segid "SHRP" and resid   10 and name  HB2)
    or (segid "SHRP" and resid   10 and name  HE1) (segid "SHRP" and resid   10 and name  HB1)
assign (segid "SHRP" and resid   20 and name   HB) (segid "SHRP" and resid   36 and name  HB2) 2.622 0.860 0.860 weight 1.000 ! spec=cnoesy, no=728, id=867, vol=1.131520e+00
    or (segid "SHRP" and resid   20 and name   HB) (segid "SHRP" and resid   36 and name  HB1)
    or (segid "SHRP" and resid   20 and name   HB) (segid "SHRP" and resid   36 and name  HB3)
assign (segid "SHRP" and resid   23 and name   HA) (segid "SHRP" and resid   23 and name  HB2) 2.256 0.636 0.636 weight 1.000 ! spec=cnoesy, no=729, id=868, vol=2.792400e+00
    or (segid "SHRP" and resid   23 and name   HA) (segid "SHRP" and resid   23 and name  HB1)
assign (segid "SHRP" and resid    1 and name  HG2) (segid "SHRP" and resid   47 and name  HB2) 2.786 0.970 0.970 weight 1.000 ! spec=cnoesy, no=739, id=872, vol=7.866200e-01
    or (segid "SHRP" and resid    1 and name  HG2) (segid "SHRP" and resid   47 and name  HB1)
    or (segid "SHRP" and resid    1 and name  HG1) (segid "SHRP" and resid   47 and name  HB2)
    or (segid "SHRP" and resid    1 and name  HG1) (segid "SHRP" and resid   47 and name  HB1)
assign (segid "SHRP" and resid    1 and name  HB2) (segid "SHRP" and resid    1 and name  HG2) 2.635 0.868 0.868 weight 1.000 ! spec=cnoesy, no=740, id=873, vol=1.098400e+00
    or (segid "SHRP" and resid    1 and name  HB2) (segid "SHRP" and resid    1 and name  HG1)
    or (segid "SHRP" and resid    1 and name  HB1) (segid "SHRP" and resid    1 and name  HG2)
    or (segid "SHRP" and resid    1 and name  HB1) (segid "SHRP" and resid    1 and name  HG1)
assign (segid "SHRP" and resid   60 and name   HA) (segid "SHRP" and resid   60 and name  HB2) 2.355 0.694 0.694 weight 1.000 ! spec=cnoesy, no=755, id=878, vol=2.155150e+00
    or (segid "SHRP" and resid   60 and name   HA) (segid "SHRP" and resid   60 and name  HB1)
assign (segid "SHRP" and resid   60 and name  HB2) (segid "SHRP" and resid   60 and name  HG2) 1.830 0.419 0.419 weight 1.000 ! spec=cnoesy, no=756, id=879, vol=9.785990e+00
    or (segid "SHRP" and resid   60 and name  HB2) (segid "SHRP" and resid   60 and name  HG1)
    or (segid "SHRP" and resid   60 and name  HB1) (segid "SHRP" and resid   60 and name  HG2)
    or (segid "SHRP" and resid   60 and name  HB1) (segid "SHRP" and resid   60 and name  HG1)
assign (segid "SHRP" and resid    6 and name  HD2) (segid "SHRP" and resid   60 and name  HB2) 2.477 0.767 0.767 weight 1.000 ! spec=cnoesy, no=758, id=881, vol=1.593250e+00
    or (segid "SHRP" and resid    6 and name  HD2) (segid "SHRP" and resid   60 and name  HB1)
    or (segid "SHRP" and resid    6 and name  HD1) (segid "SHRP" and resid   60 and name  HB2)
    or (segid "SHRP" and resid    6 and name  HD1) (segid "SHRP" and resid   60 and name  HB1)
assign (segid "SHRP" and resid   37 and name  HB2) (segid "SHRP" and resid   34 and name  HD2) 2.744 0.941 0.941 weight 1.000 ! spec=cnoesy, no=783, id=884, vol=8.618200e-01
    or (segid "SHRP" and resid   37 and name  HB2) (segid "SHRP" and resid   34 and name  HD1)
    or (segid "SHRP" and resid   37 and name  HB1) (segid "SHRP" and resid   34 and name  HD2)
    or (segid "SHRP" and resid   37 and name  HB1) (segid "SHRP" and resid   34 and name  HD1)
assign (segid "SHRP" and resid   47 and name  HB2) (segid "SHRP" and resid   66 and name HD22) 2.751 0.946 0.946 weight 1.000 ! spec=cnoesy, no=784, id=885, vol=8.498600e-01
    or (segid "SHRP" and resid   47 and name  HB2) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   47 and name  HB2) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   47 and name  HB2) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   47 and name  HB2) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   47 and name  HB2) (segid "SHRP" and resid   66 and name HD13)
    or (segid "SHRP" and resid   47 and name  HB1) (segid "SHRP" and resid   66 and name HD22)
    or (segid "SHRP" and resid   47 and name  HB1) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   47 and name  HB1) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   47 and name  HB1) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   47 and name  HB1) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   47 and name  HB1) (segid "SHRP" and resid   66 and name HD13)
assign (segid "SHRP" and resid    6 and name   HA) (segid "SHRP" and resid    6 and name  HB2) 2.454 0.753 0.753 weight 1.000 ! spec=cnoesy, no=786, id=887, vol=1.686200e+00
    or (segid "SHRP" and resid    6 and name   HA) (segid "SHRP" and resid    6 and name  HB1)
assign (segid "SHRP" and resid    3 and name   HA) (segid "SHRP" and resid   60 and name  HB2) 2.269 0.643 0.643 weight 1.000 ! spec=cnoesy, no=788, id=889, vol=2.699110e+00
    or (segid "SHRP" and resid    3 and name   HA) (segid "SHRP" and resid   60 and name  HB1)
assign (segid "SHRP" and resid    8 and name  HB2) (segid "SHRP" and resid   47 and name  HG2) 2.102 0.552 0.552 weight 1.000 ! spec=cnoesy, no=812, id=893, vol=4.271570e+00
    or (segid "SHRP" and resid    8 and name  HB2) (segid "SHRP" and resid   47 and name  HG1)
    or (segid "SHRP" and resid    8 and name  HB1) (segid "SHRP" and resid   47 and name  HG2)
    or (segid "SHRP" and resid    8 and name  HB1) (segid "SHRP" and resid   47 and name  HG1)
assign (segid "SHRP" and resid   37 and name  HB2) (segid "SHRP" and resid   38 and name HG22) 3.038 1.154 1.154 weight 1.000 ! spec=cnoesy, no=817, id=898, vol=4.682700e-01
    or (segid "SHRP" and resid   37 and name  HB2) (segid "SHRP" and resid   38 and name HG21)
    or (segid "SHRP" and resid   37 and name  HB2) (segid "SHRP" and resid   38 and name HG23)
    or (segid "SHRP" and resid   37 and name  HB2) (segid "SHRP" and resid   38 and name HG12)
    or (segid "SHRP" and resid   37 and name  HB2) (segid "SHRP" and resid   38 and name HG11)
    or (segid "SHRP" and resid   37 and name  HB2) (segid "SHRP" and resid   38 and name HG13)
    or (segid "SHRP" and resid   37 and name  HB1) (segid "SHRP" and resid   38 and name HG22)
    or (segid "SHRP" and resid   37 and name  HB1) (segid "SHRP" and resid   38 and name HG21)
    or (segid "SHRP" and resid   37 and name  HB1) (segid "SHRP" and resid   38 and name HG23)
    or (segid "SHRP" and resid   37 and name  HB1) (segid "SHRP" and resid   38 and name HG12)
    or (segid "SHRP" and resid   37 and name  HB1) (segid "SHRP" and resid   38 and name HG11)
    or (segid "SHRP" and resid   37 and name  HB1) (segid "SHRP" and resid   38 and name HG13)
assign (segid "SHRP" and resid   47 and name   HA) (segid "SHRP" and resid   47 and name  HB2) 2.063 0.532 0.532 weight 1.000 ! spec=cnoesy, no=820, id=901, vol=4.772790e+00
    or (segid "SHRP" and resid   47 and name   HA) (segid "SHRP" and resid   47 and name  HB1)
assign (segid "SHRP" and resid   15 and name   HA) (segid "SHRP" and resid   15 and name  HB2) 1.938 0.470 0.470 weight 1.000 ! spec=cnoesy, no=823, id=904, vol=6.940630e+00
    or (segid "SHRP" and resid   15 and name   HA) (segid "SHRP" and resid   15 and name  HB1)
assign (segid "SHRP" and resid   24 and name HG12) (segid "SHRP" and resid   24 and name HG11) 1.770 0.392 0.392 weight 1.000 ! spec=cnoesy, no=839, id=920, vol=1.195120e+01
assign (segid "SHRP" and resid   10 and name  HE2) (segid "SHRP" and resid   10 and name  HD1) 2.255 0.636 0.636 weight 1.000 ! spec=cnoesy, no=845, id=926, vol=2.796380e+00
    or (segid "SHRP" and resid   10 and name  HE1) (segid "SHRP" and resid   10 and name  HD1)
assign (segid "SHRP" and resid   10 and name  HD1) (segid "SHRP" and resid   10 and name  HG2) 1.992 0.496 0.496 weight 1.000 ! spec=cnoesy, no=846, id=927, vol=5.883800e+00
    or (segid "SHRP" and resid   10 and name  HD1) (segid "SHRP" and resid   10 and name  HG1)
assign (segid "SHRP" and resid   49 and name HG12) (segid "SHRP" and resid   49 and name HD12) 2.492 0.777 0.777 weight 1.000 ! spec=cnoesy, no=847, id=928, vol=1.535060e+00
    or (segid "SHRP" and resid   49 and name HG12) (segid "SHRP" and resid   49 and name HD11)
    or (segid "SHRP" and resid   49 and name HG12) (segid "SHRP" and resid   49 and name HD13)
assign (segid "SHRP" and resid   24 and name   HA) (segid "SHRP" and resid   24 and name HG11) 2.308 0.666 0.666 weight 1.000 ! spec=cnoesy, no=855, id=933, vol=2.432180e+00
assign (segid "SHRP" and resid   49 and name HG12) (segid "SHRP" and resid   48 and name  HB2) 2.718 0.924 0.924 weight 1.000 ! spec=cnoesy, no=882, id=941, vol=9.121400e-01
    or (segid "SHRP" and resid   49 and name HG12) (segid "SHRP" and resid   48 and name  HB1)
assign (segid "SHRP" and resid   49 and name   HA) (segid "SHRP" and resid   49 and name HG12) 3.028 1.146 1.146 weight 1.000 ! spec=cnoesy, no=884, id=943, vol=4.774400e-01
assign (segid "SHRP" and resid   46 and name   HA) (segid "SHRP" and resid   49 and name HG11) 3.179 1.263 1.263 weight 1.000 ! spec=cnoesy, no=885, id=944, vol=3.565600e-01
assign (segid "SHRP" and resid   28 and name  HB2) (segid "SHRP" and resid   24 and name HG11) 1.851 0.428 0.428 weight 1.000 ! spec=cnoesy, no=886, id=945, vol=9.153720e+00
    or (segid "SHRP" and resid   28 and name  HB1) (segid "SHRP" and resid   24 and name HG11)
assign (segid "SHRP" and resid    8 and name   HA) (segid "SHRP" and resid    8 and name  HB2) 2.268 0.643 0.643 weight 1.000 ! spec=cnoesy, no=908, id=946, vol=2.706230e+00
    or (segid "SHRP" and resid    8 and name   HA) (segid "SHRP" and resid    8 and name  HB1)
assign (segid "SHRP" and resid   59 and name  HB2) (segid "SHRP" and resid    3 and name  HB2) 2.605 0.848 0.848 weight 1.000 ! spec=cnoesy, no=909, id=947, vol=1.177940e+00
    or (segid "SHRP" and resid   59 and name  HB1) (segid "SHRP" and resid    3 and name  HB2)
assign (segid "SHRP" and resid    3 and name   HA) (segid "SHRP" and resid    3 and name  HB2) 2.328 0.678 0.678 weight 1.000 ! spec=cnoesy, no=913, id=950, vol=2.311670e+00
assign (segid "SHRP" and resid    3 and name  HB2) (segid "SHRP" and resid    3 and name  HB1) 1.746 0.381 0.381 weight 1.000 ! spec=cnoesy, no=915, id=952, vol=1.299249e+01
assign (segid "SHRP" and resid    4 and name  HB1) (segid "SHRP" and resid   50 and name  HD2) 1.838 0.422 0.422 weight 1.000 ! spec=cnoesy, no=923, id=960, vol=9.546460e+00
    or (segid "SHRP" and resid    4 and name  HB1) (segid "SHRP" and resid   50 and name  HD1)
assign (segid "SHRP" and resid   22 and name   HA) (segid "SHRP" and resid   25 and name  HB2) 2.735 0.935 0.935 weight 1.000 ! spec=cnoesy, no=933, id=964, vol=8.786000e-01
    or (segid "SHRP" and resid   22 and name   HA) (segid "SHRP" and resid   25 and name  HB1)
assign (segid "SHRP" and resid   23 and name  HD2) (segid "SHRP" and resid   23 and name  HB2) 2.337 0.683 0.683 weight 1.000 ! spec=cnoesy, no=940, id=968, vol=2.256470e+00
    or (segid "SHRP" and resid   23 and name  HD2) (segid "SHRP" and resid   23 and name  HB1)
    or (segid "SHRP" and resid   23 and name  HD1) (segid "SHRP" and resid   23 and name  HB2)
    or (segid "SHRP" and resid   23 and name  HD1) (segid "SHRP" and resid   23 and name  HB1)
assign (segid "SHRP" and resid    1 and name  HG2) (segid "SHRP" and resid   66 and name   HG) 3.135 1.228 1.228 weight 1.000 ! spec=cnoesy, no=944, id=972, vol=3.878700e-01
    or (segid "SHRP" and resid    1 and name  HG1) (segid "SHRP" and resid   66 and name   HG)
assign (segid "SHRP" and resid    8 and name  HB2) (segid "SHRP" and resid   12 and name  HB2) 2.902 1.053 1.053 weight 1.000 ! spec=cnoesy, no=953, id=973, vol=6.158700e-01
    or (segid "SHRP" and resid    8 and name  HB2) (segid "SHRP" and resid   12 and name  HB1)
    or (segid "SHRP" and resid    8 and name  HB2) (segid "SHRP" and resid   12 and name  HB3)
    or (segid "SHRP" and resid    8 and name  HB1) (segid "SHRP" and resid   12 and name  HB2)
    or (segid "SHRP" and resid    8 and name  HB1) (segid "SHRP" and resid   12 and name  HB1)
    or (segid "SHRP" and resid    8 and name  HB1) (segid "SHRP" and resid   12 and name  HB3)
assign (segid "SHRP" and resid   60 and name  HG2) (segid "SHRP" and resid    5 and name   HB) 3.023 1.142 1.142 weight 1.000 ! spec=cnoesy, no=958, id=974, vol=4.823300e-01
    or (segid "SHRP" and resid   60 and name  HG1) (segid "SHRP" and resid    5 and name   HB)
assign (segid "SHRP" and resid   23 and name  HD2) (segid "SHRP" and resid   20 and name   HA) 2.479 0.768 0.768 weight 1.000 ! spec=cnoesy, no=959, id=975, vol=1.585910e+00
    or (segid "SHRP" and resid   23 and name  HD1) (segid "SHRP" and resid   20 and name   HA)
assign (segid "SHRP" and resid    6 and name  HD2) (segid "SHRP" and resid   60 and name  HG2) 2.028 0.514 0.514 weight 1.000 ! spec=cnoesy, no=960, id=976, vol=5.292670e+00
    or (segid "SHRP" and resid    6 and name  HD2) (segid "SHRP" and resid   60 and name  HG1)
    or (segid "SHRP" and resid    6 and name  HD1) (segid "SHRP" and resid   60 and name  HG2)
    or (segid "SHRP" and resid    6 and name  HD1) (segid "SHRP" and resid   60 and name  HG1)
assign (segid "SHRP" and resid   66 and name   HG) (segid "SHRP" and resid   66 and name HD22) 2.155 0.581 0.581 weight 1.000 ! spec=cnoesy, no=964, id=980, vol=3.674740e+00
    or (segid "SHRP" and resid   66 and name   HG) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   66 and name   HG) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   66 and name   HG) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   66 and name   HG) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   66 and name   HG) (segid "SHRP" and resid   66 and name HD13)
assign (segid "SHRP" and resid   39 and name  HD2) (segid "SHRP" and resid   39 and name  HG2) 2.134 0.569 0.569 weight 1.000 ! spec=cnoesy, no=965, id=981, vol=3.897960e+00
    or (segid "SHRP" and resid   39 and name  HD2) (segid "SHRP" and resid   39 and name  HG1)
    or (segid "SHRP" and resid   39 and name  HD1) (segid "SHRP" and resid   39 and name  HG2)
    or (segid "SHRP" and resid   39 and name  HD1) (segid "SHRP" and resid   39 and name  HG1)
assign (segid "SHRP" and resid   39 and name  HB2) (segid "SHRP" and resid   39 and name  HG2) 2.391 0.715 0.715 weight 1.000 ! spec=cnoesy, no=968, id=984, vol=1.970440e+00
    or (segid "SHRP" and resid   39 and name  HB2) (segid "SHRP" and resid   39 and name  HG1)
assign (segid "SHRP" and resid   50 and name  HD2) (segid "SHRP" and resid   50 and name  HG2) 1.802 0.406 0.406 weight 1.000 ! spec=cnoesy, no=993, id=989, vol=1.076317e+01
    or (segid "SHRP" and resid   50 and name  HD2) (segid "SHRP" and resid   50 and name  HG1)
    or (segid "SHRP" and resid   50 and name  HD1) (segid "SHRP" and resid   50 and name  HG2)
    or (segid "SHRP" and resid   50 and name  HD1) (segid "SHRP" and resid   50 and name  HG1)
assign (segid "SHRP" and resid   10 and name  HG2) (segid "SHRP" and resid   10 and name  HD2) 2.228 0.620 0.620 weight 1.000 ! spec=cnoesy, no=995, id=991, vol=3.011170e+00
    or (segid "SHRP" and resid   10 and name  HG1) (segid "SHRP" and resid   10 and name  HD2)
assign (segid "SHRP" and resid   50 and name  HG2) (segid "SHRP" and resid   66 and name HD22) 2.913 1.060 1.060 weight 1.000 ! spec=cnoesy, no=1003, id=998, vol=6.027400e-01
    or (segid "SHRP" and resid   50 and name  HG2) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   50 and name  HG2) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   50 and name  HG2) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   50 and name  HG2) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   50 and name  HG2) (segid "SHRP" and resid   66 and name HD13)
    or (segid "SHRP" and resid   50 and name  HG1) (segid "SHRP" and resid   66 and name HD22)
    or (segid "SHRP" and resid   50 and name  HG1) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   50 and name  HG1) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   50 and name  HG1) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   50 and name  HG1) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   50 and name  HG1) (segid "SHRP" and resid   66 and name HD13)
assign (segid "SHRP" and resid   27 and name   HA) (segid "SHRP" and resid   27 and name HD22) 2.355 0.693 0.693 weight 1.000 ! spec=cnoesy, no=1005, id=999, vol=2.159230e+00
    or (segid "SHRP" and resid   27 and name   HA) (segid "SHRP" and resid   27 and name HD21)
    or (segid "SHRP" and resid   27 and name   HA) (segid "SHRP" and resid   27 and name HD23)
    or (segid "SHRP" and resid   27 and name   HA) (segid "SHRP" and resid   27 and name HD12)
    or (segid "SHRP" and resid   27 and name   HA) (segid "SHRP" and resid   27 and name HD11)
    or (segid "SHRP" and resid   27 and name   HA) (segid "SHRP" and resid   27 and name HD13)
assign (segid "SHRP" and resid   23 and name  HE2) (segid "SHRP" and resid   27 and name HD22) 3.105 1.205 1.205 weight 1.000 ! spec=cnoesy, no=1007, id=1001, vol=4.106100e-01
    or (segid "SHRP" and resid   23 and name  HE2) (segid "SHRP" and resid   27 and name HD21)
    or (segid "SHRP" and resid   23 and name  HE2) (segid "SHRP" and resid   27 and name HD23)
    or (segid "SHRP" and resid   23 and name  HE2) (segid "SHRP" and resid   27 and name HD12)
    or (segid "SHRP" and resid   23 and name  HE2) (segid "SHRP" and resid   27 and name HD11)
    or (segid "SHRP" and resid   23 and name  HE2) (segid "SHRP" and resid   27 and name HD13)
    or (segid "SHRP" and resid   23 and name  HE1) (segid "SHRP" and resid   27 and name HD22)
    or (segid "SHRP" and resid   23 and name  HE1) (segid "SHRP" and resid   27 and name HD21)
    or (segid "SHRP" and resid   23 and name  HE1) (segid "SHRP" and resid   27 and name HD23)
    or (segid "SHRP" and resid   23 and name  HE1) (segid "SHRP" and resid   27 and name HD12)
    or (segid "SHRP" and resid   23 and name  HE1) (segid "SHRP" and resid   27 and name HD11)
    or (segid "SHRP" and resid   23 and name  HE1) (segid "SHRP" and resid   27 and name HD13)
assign (segid "SHRP" and resid   27 and name  HB2) (segid "SHRP" and resid   27 and name HD22) 1.674 0.350 0.350 weight 1.000 ! spec=cnoesy, no=1008, id=1002, vol=1.670008e+01
    or (segid "SHRP" and resid   27 and name  HB2) (segid "SHRP" and resid   27 and name HD21)
    or (segid "SHRP" and resid   27 and name  HB2) (segid "SHRP" and resid   27 and name HD23)
    or (segid "SHRP" and resid   27 and name  HB2) (segid "SHRP" and resid   27 and name HD12)
    or (segid "SHRP" and resid   27 and name  HB2) (segid "SHRP" and resid   27 and name HD11)
    or (segid "SHRP" and resid   27 and name  HB2) (segid "SHRP" and resid   27 and name HD13)
assign (segid "SHRP" and resid   23 and name  HB2) (segid "SHRP" and resid   27 and name HD22) 3.087 1.191 1.191 weight 1.000 ! spec=cnoesy, no=1010, id=1004, vol=4.256800e-01
    or (segid "SHRP" and resid   23 and name  HB2) (segid "SHRP" and resid   27 and name HD21)
    or (segid "SHRP" and resid   23 and name  HB2) (segid "SHRP" and resid   27 and name HD23)
    or (segid "SHRP" and resid   23 and name  HB2) (segid "SHRP" and resid   27 and name HD12)
    or (segid "SHRP" and resid   23 and name  HB2) (segid "SHRP" and resid   27 and name HD11)
    or (segid "SHRP" and resid   23 and name  HB2) (segid "SHRP" and resid   27 and name HD13)
    or (segid "SHRP" and resid   23 and name  HB1) (segid "SHRP" and resid   27 and name HD22)
    or (segid "SHRP" and resid   23 and name  HB1) (segid "SHRP" and resid   27 and name HD21)
    or (segid "SHRP" and resid   23 and name  HB1) (segid "SHRP" and resid   27 and name HD23)
    or (segid "SHRP" and resid   23 and name  HB1) (segid "SHRP" and resid   27 and name HD12)
    or (segid "SHRP" and resid   23 and name  HB1) (segid "SHRP" and resid   27 and name HD11)
    or (segid "SHRP" and resid   23 and name  HB1) (segid "SHRP" and resid   27 and name HD13)
assign (segid "SHRP" and resid   27 and name HD22) (segid "SHRP" and resid   28 and name  HD2) 2.088 0.545 0.545 weight 1.000 ! spec=cnoesy, no=1011, id=1005, vol=4.439380e+00
    or (segid "SHRP" and resid   27 and name HD22) (segid "SHRP" and resid   28 and name  HD1)
    or (segid "SHRP" and resid   27 and name HD21) (segid "SHRP" and resid   28 and name  HD2)
    or (segid "SHRP" and resid   27 and name HD21) (segid "SHRP" and resid   28 and name  HD1)
    or (segid "SHRP" and resid   27 and name HD23) (segid "SHRP" and resid   28 and name  HD2)
    or (segid "SHRP" and resid   27 and name HD23) (segid "SHRP" and resid   28 and name  HD1)
    or (segid "SHRP" and resid   27 and name HD12) (segid "SHRP" and resid   28 and name  HD2)
    or (segid "SHRP" and resid   27 and name HD12) (segid "SHRP" and resid   28 and name  HD1)
    or (segid "SHRP" and resid   27 and name HD11) (segid "SHRP" and resid   28 and name  HD2)
    or (segid "SHRP" and resid   27 and name HD11) (segid "SHRP" and resid   28 and name  HD1)
    or (segid "SHRP" and resid   27 and name HD13) (segid "SHRP" and resid   28 and name  HD2)
    or (segid "SHRP" and resid   27 and name HD13) (segid "SHRP" and resid   28 and name  HD1)
assign (segid "SHRP" and resid   50 and name  HB2) (segid "SHRP" and resid   50 and name  HD2) 2.168 0.587 0.587 weight 1.000 ! spec=cnoesy, no=1021, id=1007, vol=3.545980e+00
    or (segid "SHRP" and resid   50 and name  HB2) (segid "SHRP" and resid   50 and name  HD1)
    or (segid "SHRP" and resid   50 and name  HB1) (segid "SHRP" and resid   50 and name  HD2)
    or (segid "SHRP" and resid   50 and name  HB1) (segid "SHRP" and resid   50 and name  HD1)
assign (segid "SHRP" and resid   23 and name  HE2) (segid "SHRP" and resid   28 and name  HD2) 2.514 0.790 0.790 weight 1.000 ! spec=cnoesy, no=1024, id=1010, vol=1.458430e+00
    or (segid "SHRP" and resid   23 and name  HE2) (segid "SHRP" and resid   28 and name  HD1)
    or (segid "SHRP" and resid   23 and name  HE1) (segid "SHRP" and resid   28 and name  HD2)
    or (segid "SHRP" and resid   23 and name  HE1) (segid "SHRP" and resid   28 and name  HD1)
assign (segid "SHRP" and resid   28 and name  HD2) (segid "SHRP" and resid   24 and name HG12) 2.024 0.512 0.512 weight 1.000 ! spec=cnoesy, no=1025, id=1011, vol=5.348880e+00
    or (segid "SHRP" and resid   28 and name  HD1) (segid "SHRP" and resid   24 and name HG12)
assign (segid "SHRP" and resid   50 and name  HD2) (segid "SHRP" and resid   49 and name HD12) 3.199 1.279 1.279 weight 1.000 ! spec=cnoesy, no=1026, id=1012, vol=3.436200e-01
    or (segid "SHRP" and resid   50 and name  HD2) (segid "SHRP" and resid   49 and name HD11)
    or (segid "SHRP" and resid   50 and name  HD2) (segid "SHRP" and resid   49 and name HD13)
    or (segid "SHRP" and resid   50 and name  HD1) (segid "SHRP" and resid   49 and name HD12)
    or (segid "SHRP" and resid   50 and name  HD1) (segid "SHRP" and resid   49 and name HD11)
    or (segid "SHRP" and resid   50 and name  HD1) (segid "SHRP" and resid   49 and name HD13)
assign (segid "SHRP" and resid   24 and name   HA) (segid "SHRP" and resid   23 and name  HG2) 3.242 1.314 1.314 weight 1.000 ! spec=cnoesy, no=1030, id=1016, vol=3.167700e-01
    or (segid "SHRP" and resid   24 and name   HA) (segid "SHRP" and resid   23 and name  HG1)
assign (segid "SHRP" and resid   10 and name   HA) (segid "SHRP" and resid   10 and name  HG2) 2.289 0.655 0.655 weight 1.000 ! spec=cnoesy, no=1031, id=1017, vol=2.562250e+00
    or (segid "SHRP" and resid   10 and name   HA) (segid "SHRP" and resid   10 and name  HG1)
assign (segid "SHRP" and resid   10 and name  HG2) (segid "SHRP" and resid   10 and name  HE2) 2.392 0.715 0.715 weight 1.000 ! spec=cnoesy, no=1032, id=1018, vol=1.962920e+00
    or (segid "SHRP" and resid   10 and name  HG2) (segid "SHRP" and resid   10 and name  HE1)
    or (segid "SHRP" and resid   10 and name  HG1) (segid "SHRP" and resid   10 and name  HE2)
    or (segid "SHRP" and resid   10 and name  HG1) (segid "SHRP" and resid   10 and name  HE1)
assign (segid "SHRP" and resid   52 and name  HG2) (segid "SHRP" and resid   52 and name   HA) 3.158 1.247 1.247 weight 1.000 ! spec=cnoesy, no=1057, id=1031, vol=3.708900e-01
    or (segid "SHRP" and resid   52 and name  HG1) (segid "SHRP" and resid   52 and name   HA)
assign (segid "SHRP" and resid   20 and name   HA) (segid "SHRP" and resid   23 and name  HG2) 2.227 0.620 0.620 weight 1.000 ! spec=cnoesy, no=1060, id=1034, vol=3.018790e+00
    or (segid "SHRP" and resid   20 and name   HA) (segid "SHRP" and resid   23 and name  HG1)
assign (segid "SHRP" and resid   53 and name HD22) (segid "SHRP" and resid   52 and name  HB2) 3.005 1.129 1.129 weight 1.000 ! spec=cnoesy, no=1080, id=1045, vol=4.994200e-01
    or (segid "SHRP" and resid   53 and name HD22) (segid "SHRP" and resid   52 and name  HB1)
    or (segid "SHRP" and resid   53 and name HD21) (segid "SHRP" and resid   52 and name  HB2)
    or (segid "SHRP" and resid   53 and name HD21) (segid "SHRP" and resid   52 and name  HB1)
    or (segid "SHRP" and resid   53 and name HD23) (segid "SHRP" and resid   52 and name  HB2)
    or (segid "SHRP" and resid   53 and name HD23) (segid "SHRP" and resid   52 and name  HB1)
    or (segid "SHRP" and resid   53 and name HD12) (segid "SHRP" and resid   52 and name  HB2)
    or (segid "SHRP" and resid   53 and name HD12) (segid "SHRP" and resid   52 and name  HB1)
    or (segid "SHRP" and resid   53 and name HD11) (segid "SHRP" and resid   52 and name  HB2)
    or (segid "SHRP" and resid   53 and name HD11) (segid "SHRP" and resid   52 and name  HB1)
    or (segid "SHRP" and resid   53 and name HD13) (segid "SHRP" and resid   52 and name  HB2)
    or (segid "SHRP" and resid   53 and name HD13) (segid "SHRP" and resid   52 and name  HB1)
assign (segid "SHRP" and resid   53 and name  HB2) (segid "SHRP" and resid   53 and name HD22) 1.921 0.461 0.461 weight 1.000 ! spec=cnoesy, no=1081, id=1046, vol=7.330340e+00
    or (segid "SHRP" and resid   53 and name  HB2) (segid "SHRP" and resid   53 and name HD21)
    or (segid "SHRP" and resid   53 and name  HB2) (segid "SHRP" and resid   53 and name HD23)
    or (segid "SHRP" and resid   53 and name  HB2) (segid "SHRP" and resid   53 and name HD12)
    or (segid "SHRP" and resid   53 and name  HB2) (segid "SHRP" and resid   53 and name HD11)
    or (segid "SHRP" and resid   53 and name  HB2) (segid "SHRP" and resid   53 and name HD13)
assign (segid "SHRP" and resid   53 and name  HB1) (segid "SHRP" and resid   53 and name HD22) 2.111 0.557 0.557 weight 1.000 ! spec=cnoesy, no=1082, id=1047, vol=4.161500e+00
    or (segid "SHRP" and resid   53 and name  HB1) (segid "SHRP" and resid   53 and name HD21)
    or (segid "SHRP" and resid   53 and name  HB1) (segid "SHRP" and resid   53 and name HD23)
    or (segid "SHRP" and resid   53 and name  HB1) (segid "SHRP" and resid   53 and name HD12)
    or (segid "SHRP" and resid   53 and name  HB1) (segid "SHRP" and resid   53 and name HD11)
    or (segid "SHRP" and resid   53 and name  HB1) (segid "SHRP" and resid   53 and name HD13)
assign (segid "SHRP" and resid   53 and name HD22) (segid "SHRP" and resid   48 and name  HB2) 3.139 1.232 1.232 weight 1.000 ! spec=cnoesy, no=1084, id=1049, vol=3.844400e-01
    or (segid "SHRP" and resid   53 and name HD22) (segid "SHRP" and resid   48 and name  HB1)
    or (segid "SHRP" and resid   53 and name HD21) (segid "SHRP" and resid   48 and name  HB2)
    or (segid "SHRP" and resid   53 and name HD21) (segid "SHRP" and resid   48 and name  HB1)
    or (segid "SHRP" and resid   53 and name HD23) (segid "SHRP" and resid   48 and name  HB2)
    or (segid "SHRP" and resid   53 and name HD23) (segid "SHRP" and resid   48 and name  HB1)
    or (segid "SHRP" and resid   53 and name HD12) (segid "SHRP" and resid   48 and name  HB2)
    or (segid "SHRP" and resid   53 and name HD12) (segid "SHRP" and resid   48 and name  HB1)
    or (segid "SHRP" and resid   53 and name HD11) (segid "SHRP" and resid   48 and name  HB2)
    or (segid "SHRP" and resid   53 and name HD11) (segid "SHRP" and resid   48 and name  HB1)
    or (segid "SHRP" and resid   53 and name HD13) (segid "SHRP" and resid   48 and name  HB2)
    or (segid "SHRP" and resid   53 and name HD13) (segid "SHRP" and resid   48 and name  HB1)
assign (segid "SHRP" and resid   46 and name   HA) (segid "SHRP" and resid   46 and name HG22) 1.943 0.472 0.472 weight 1.000 ! spec=cnoesy, no=1092, id=1051, vol=6.839510e+00
    or (segid "SHRP" and resid   46 and name   HA) (segid "SHRP" and resid   46 and name HG21)
    or (segid "SHRP" and resid   46 and name   HA) (segid "SHRP" and resid   46 and name HG23)
    or (segid "SHRP" and resid   46 and name   HA) (segid "SHRP" and resid   46 and name HG12)
    or (segid "SHRP" and resid   46 and name   HA) (segid "SHRP" and resid   46 and name HG11)
    or (segid "SHRP" and resid   46 and name   HA) (segid "SHRP" and resid   46 and name HG13)
assign (segid "SHRP" and resid   53 and name   HA) (segid "SHRP" and resid   53 and name HD22) 1.904 0.453 0.453 weight 1.000 ! spec=cnoesy, no=1097, id=1054, vol=7.730920e+00
    or (segid "SHRP" and resid   53 and name   HA) (segid "SHRP" and resid   53 and name HD21)
    or (segid "SHRP" and resid   53 and name   HA) (segid "SHRP" and resid   53 and name HD23)
    or (segid "SHRP" and resid   53 and name   HA) (segid "SHRP" and resid   53 and name HD12)
    or (segid "SHRP" and resid   53 and name   HA) (segid "SHRP" and resid   53 and name HD11)
    or (segid "SHRP" and resid   53 and name   HA) (segid "SHRP" and resid   53 and name HD13)
assign (segid "SHRP" and resid   34 and name  HD2) (segid "SHRP" and resid   38 and name HG22) 2.754 0.948 0.948 weight 1.000 ! spec=cnoesy, no=1112, id=1063, vol=8.428900e-01
    or (segid "SHRP" and resid   34 and name  HD2) (segid "SHRP" and resid   38 and name HG21)
    or (segid "SHRP" and resid   34 and name  HD2) (segid "SHRP" and resid   38 and name HG23)
    or (segid "SHRP" and resid   34 and name  HD2) (segid "SHRP" and resid   38 and name HG12)
    or (segid "SHRP" and resid   34 and name  HD2) (segid "SHRP" and resid   38 and name HG11)
    or (segid "SHRP" and resid   34 and name  HD2) (segid "SHRP" and resid   38 and name HG13)
    or (segid "SHRP" and resid   34 and name  HD1) (segid "SHRP" and resid   38 and name HG22)
    or (segid "SHRP" and resid   34 and name  HD1) (segid "SHRP" and resid   38 and name HG21)
    or (segid "SHRP" and resid   34 and name  HD1) (segid "SHRP" and resid   38 and name HG23)
    or (segid "SHRP" and resid   34 and name  HD1) (segid "SHRP" and resid   38 and name HG12)
    or (segid "SHRP" and resid   34 and name  HD1) (segid "SHRP" and resid   38 and name HG11)
    or (segid "SHRP" and resid   34 and name  HD1) (segid "SHRP" and resid   38 and name HG13)
assign (segid "SHRP" and resid   53 and name HD22) (segid "SHRP" and resid   49 and name HG22) 2.476 0.766 0.766 weight 1.000 ! spec=cnoesy, no=1118, id=1068, vol=1.598690e+00
    or (segid "SHRP" and resid   53 and name HD22) (segid "SHRP" and resid   49 and name HG21)
    or (segid "SHRP" and resid   53 and name HD22) (segid "SHRP" and resid   49 and name HG23)
    or (segid "SHRP" and resid   53 and name HD21) (segid "SHRP" and resid   49 and name HG22)
    or (segid "SHRP" and resid   53 and name HD21) (segid "SHRP" and resid   49 and name HG21)
    or (segid "SHRP" and resid   53 and name HD21) (segid "SHRP" and resid   49 and name HG23)
    or (segid "SHRP" and resid   53 and name HD23) (segid "SHRP" and resid   49 and name HG22)
    or (segid "SHRP" and resid   53 and name HD23) (segid "SHRP" and resid   49 and name HG21)
    or (segid "SHRP" and resid   53 and name HD23) (segid "SHRP" and resid   49 and name HG23)
    or (segid "SHRP" and resid   53 and name HD12) (segid "SHRP" and resid   49 and name HG22)
    or (segid "SHRP" and resid   53 and name HD12) (segid "SHRP" and resid   49 and name HG21)
    or (segid "SHRP" and resid   53 and name HD12) (segid "SHRP" and resid   49 and name HG23)
    or (segid "SHRP" and resid   53 and name HD11) (segid "SHRP" and resid   49 and name HG22)
    or (segid "SHRP" and resid   53 and name HD11) (segid "SHRP" and resid   49 and name HG21)
    or (segid "SHRP" and resid   53 and name HD11) (segid "SHRP" and resid   49 and name HG23)
    or (segid "SHRP" and resid   53 and name HD13) (segid "SHRP" and resid   49 and name HG22)
    or (segid "SHRP" and resid   53 and name HD13) (segid "SHRP" and resid   49 and name HG21)
    or (segid "SHRP" and resid   53 and name HD13) (segid "SHRP" and resid   49 and name HG23)
assign (segid "SHRP" and resid   65 and name HG21) (segid "SHRP" and resid   66 and name HD22) 2.764 0.955 0.955 weight 1.000 ! spec=cnoesy, no=1163, id=1078, vol=8.253400e-01
    or (segid "SHRP" and resid   65 and name HG21) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   65 and name HG21) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   65 and name HG21) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   65 and name HG21) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   65 and name HG21) (segid "SHRP" and resid   66 and name HD13)
    or (segid "SHRP" and resid   65 and name HG22) (segid "SHRP" and resid   66 and name HD22)
    or (segid "SHRP" and resid   65 and name HG22) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   65 and name HG22) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   65 and name HG22) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   65 and name HG22) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   65 and name HG22) (segid "SHRP" and resid   66 and name HD13)
    or (segid "SHRP" and resid   65 and name HG23) (segid "SHRP" and resid   66 and name HD22)
    or (segid "SHRP" and resid   65 and name HG23) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   65 and name HG23) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   65 and name HG23) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   65 and name HG23) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   65 and name HG23) (segid "SHRP" and resid   66 and name HD13)
assign (segid "SHRP" and resid   65 and name   HA) (segid "SHRP" and resid   65 and name HG21) 2.140 0.573 0.573 weight 1.000 ! spec=cnoesy, no=1167, id=1080, vol=3.830160e+00
    or (segid "SHRP" and resid   65 and name   HA) (segid "SHRP" and resid   65 and name HG22)
    or (segid "SHRP" and resid   65 and name   HA) (segid "SHRP" and resid   65 and name HG23)
assign (segid "SHRP" and resid   65 and name   HB) (segid "SHRP" and resid   65 and name HG21) 2.011 0.505 0.505 weight 1.000 ! spec=cnoesy, no=1168, id=1081, vol=5.570320e+00
    or (segid "SHRP" and resid   65 and name   HB) (segid "SHRP" and resid   65 and name HG22)
    or (segid "SHRP" and resid   65 and name   HB) (segid "SHRP" and resid   65 and name HG23)
assign (segid "SHRP" and resid   65 and name HG21) (segid "SHRP" and resid   64 and name  HB2) 3.239 1.311 1.311 weight 1.000 ! spec=cnoesy, no=1169, id=1082, vol=3.187700e-01
    or (segid "SHRP" and resid   65 and name HG21) (segid "SHRP" and resid   64 and name  HB1)
    or (segid "SHRP" and resid   65 and name HG22) (segid "SHRP" and resid   64 and name  HB2)
    or (segid "SHRP" and resid   65 and name HG22) (segid "SHRP" and resid   64 and name  HB1)
    or (segid "SHRP" and resid   65 and name HG23) (segid "SHRP" and resid   64 and name  HB2)
    or (segid "SHRP" and resid   65 and name HG23) (segid "SHRP" and resid   64 and name  HB1)
assign (segid "SHRP" and resid   20 and name HG12) (segid "SHRP" and resid   35 and name  HB2) 2.422 0.733 0.733 weight 1.000 ! spec=cnoesy, no=1172, id=1083, vol=1.822050e+00
    or (segid "SHRP" and resid   20 and name HG12) (segid "SHRP" and resid   35 and name  HB1)
    or (segid "SHRP" and resid   20 and name HG12) (segid "SHRP" and resid   35 and name  HB3)
    or (segid "SHRP" and resid   20 and name HG11) (segid "SHRP" and resid   35 and name  HB2)
    or (segid "SHRP" and resid   20 and name HG11) (segid "SHRP" and resid   35 and name  HB1)
    or (segid "SHRP" and resid   20 and name HG11) (segid "SHRP" and resid   35 and name  HB3)
    or (segid "SHRP" and resid   20 and name HG13) (segid "SHRP" and resid   35 and name  HB2)
    or (segid "SHRP" and resid   20 and name HG13) (segid "SHRP" and resid   35 and name  HB1)
    or (segid "SHRP" and resid   20 and name HG13) (segid "SHRP" and resid   35 and name  HB3)
assign (segid "SHRP" and resid   20 and name HG12) (segid "SHRP" and resid   36 and name   HA) 2.290 0.655 0.655 weight 1.000 ! spec=cnoesy, no=1178, id=1086, vol=2.553060e+00
    or (segid "SHRP" and resid   20 and name HG11) (segid "SHRP" and resid   36 and name   HA)
    or (segid "SHRP" and resid   20 and name HG13) (segid "SHRP" and resid   36 and name   HA)
assign (segid "SHRP" and resid   23 and name  HE2) (segid "SHRP" and resid   20 and name HG12) 2.433 0.740 0.740 weight 1.000 ! spec=cnoesy, no=1181, id=1089, vol=1.773540e+00
    or (segid "SHRP" and resid   23 and name  HE2) (segid "SHRP" and resid   20 and name HG11)
    or (segid "SHRP" and resid   23 and name  HE2) (segid "SHRP" and resid   20 and name HG13)
    or (segid "SHRP" and resid   23 and name  HE1) (segid "SHRP" and resid   20 and name HG12)
    or (segid "SHRP" and resid   23 and name  HE1) (segid "SHRP" and resid   20 and name HG11)
    or (segid "SHRP" and resid   23 and name  HE1) (segid "SHRP" and resid   20 and name HG13)
assign (segid "SHRP" and resid   23 and name  HD2) (segid "SHRP" and resid   20 and name HG12) 2.176 0.592 0.592 weight 1.000 ! spec=cnoesy, no=1185, id=1093, vol=3.469850e+00
    or (segid "SHRP" and resid   23 and name  HD2) (segid "SHRP" and resid   20 and name HG11)
    or (segid "SHRP" and resid   23 and name  HD2) (segid "SHRP" and resid   20 and name HG13)
    or (segid "SHRP" and resid   23 and name  HD1) (segid "SHRP" and resid   20 and name HG12)
    or (segid "SHRP" and resid   23 and name  HD1) (segid "SHRP" and resid   20 and name HG11)
    or (segid "SHRP" and resid   23 and name  HD1) (segid "SHRP" and resid   20 and name HG13)
assign (segid "SHRP" and resid   20 and name HG12) (segid "SHRP" and resid   24 and name HD12) 2.572 0.827 0.827 weight 1.000 ! spec=cnoesy, no=1189, id=1094, vol=1.271990e+00
    or (segid "SHRP" and resid   20 and name HG12) (segid "SHRP" and resid   24 and name HD11)
    or (segid "SHRP" and resid   20 and name HG12) (segid "SHRP" and resid   24 and name HD13)
    or (segid "SHRP" and resid   20 and name HG11) (segid "SHRP" and resid   24 and name HD12)
    or (segid "SHRP" and resid   20 and name HG11) (segid "SHRP" and resid   24 and name HD11)
    or (segid "SHRP" and resid   20 and name HG11) (segid "SHRP" and resid   24 and name HD13)
    or (segid "SHRP" and resid   20 and name HG13) (segid "SHRP" and resid   24 and name HD12)
    or (segid "SHRP" and resid   20 and name HG13) (segid "SHRP" and resid   24 and name HD11)
    or (segid "SHRP" and resid   20 and name HG13) (segid "SHRP" and resid   24 and name HD13)
assign (segid "SHRP" and resid   20 and name HG12) (segid "SHRP" and resid   24 and name HG11) 2.640 0.871 0.871 weight 1.000 ! spec=cnoesy, no=1190, id=1095, vol=1.088080e+00
    or (segid "SHRP" and resid   20 and name HG11) (segid "SHRP" and resid   24 and name HG11)
    or (segid "SHRP" and resid   20 and name HG13) (segid "SHRP" and resid   24 and name HG11)
assign (segid "SHRP" and resid   38 and name   HA) (segid "SHRP" and resid   41 and name  HB2) 2.154 0.580 0.580 weight 1.000 ! spec=cnoesy, no=1223, id=1103, vol=3.687160e+00
    or (segid "SHRP" and resid   38 and name   HA) (segid "SHRP" and resid   41 and name  HB1)
    or (segid "SHRP" and resid   38 and name   HA) (segid "SHRP" and resid   41 and name  HB3)
assign (segid "SHRP" and resid   41 and name  HB2) (segid "SHRP" and resid   42 and name HG12) 2.460 0.756 0.756 weight 1.000 ! spec=cnoesy, no=1226, id=1106, vol=1.660960e+00
    or (segid "SHRP" and resid   41 and name  HB2) (segid "SHRP" and resid   42 and name HG11)
    or (segid "SHRP" and resid   41 and name  HB2) (segid "SHRP" and resid   42 and name HG13)
    or (segid "SHRP" and resid   41 and name  HB1) (segid "SHRP" and resid   42 and name HG12)
    or (segid "SHRP" and resid   41 and name  HB1) (segid "SHRP" and resid   42 and name HG11)
    or (segid "SHRP" and resid   41 and name  HB1) (segid "SHRP" and resid   42 and name HG13)
    or (segid "SHRP" and resid   41 and name  HB3) (segid "SHRP" and resid   42 and name HG12)
    or (segid "SHRP" and resid   41 and name  HB3) (segid "SHRP" and resid   42 and name HG11)
    or (segid "SHRP" and resid   41 and name  HB3) (segid "SHRP" and resid   42 and name HG13)
assign (segid "SHRP" and resid   12 and name   HA) (segid "SHRP" and resid   12 and name  HB2) 1.780 0.396 0.396 weight 1.000 ! spec=cnoesy, no=1229, id=1109, vol=1.155976e+01
    or (segid "SHRP" and resid   12 and name   HA) (segid "SHRP" and resid   12 and name  HB1)
    or (segid "SHRP" and resid   12 and name   HA) (segid "SHRP" and resid   12 and name  HB3)
assign (segid "SHRP" and resid   16 and name   HA) (segid "SHRP" and resid   16 and name  HB2) 1.855 0.430 0.430 weight 1.000 ! spec=cnoesy, no=1231, id=1111, vol=9.045520e+00
    or (segid "SHRP" and resid   16 and name   HA) (segid "SHRP" and resid   16 and name  HB1)
    or (segid "SHRP" and resid   16 and name   HA) (segid "SHRP" and resid   16 and name  HB3)
assign (segid "SHRP" and resid   49 and name HG22) (segid "SHRP" and resid   53 and name  HB1) 2.845 1.012 1.012 weight 1.000 ! spec=cnoesy, no=1242, id=1119, vol=6.945700e-01
    or (segid "SHRP" and resid   49 and name HG21) (segid "SHRP" and resid   53 and name  HB1)
    or (segid "SHRP" and resid   49 and name HG23) (segid "SHRP" and resid   53 and name  HB1)
assign (segid "SHRP" and resid   24 and name HG22) (segid "SHRP" and resid   29 and name   HA) 3.152 1.242 1.242 weight 1.000 ! spec=cnoesy, no=1244, id=1120, vol=3.755900e-01
    or (segid "SHRP" and resid   24 and name HG21) (segid "SHRP" and resid   29 and name   HA)
    or (segid "SHRP" and resid   24 and name HG23) (segid "SHRP" and resid   29 and name   HA)
assign (segid "SHRP" and resid   14 and name  HB2) (segid "SHRP" and resid   14 and name   HA) 1.847 0.427 0.427 weight 1.000 ! spec=cnoesy, no=1255, id=1122, vol=9.261370e+00
    or (segid "SHRP" and resid   14 and name  HB1) (segid "SHRP" and resid   14 and name   HA)
    or (segid "SHRP" and resid   14 and name  HB3) (segid "SHRP" and resid   14 and name   HA)
assign (segid "SHRP" and resid   41 and name  HB2) (segid "SHRP" and resid   34 and name  HE2) 3.116 1.214 1.214 weight 1.000 ! spec=cnoesy, no=1256, id=1123, vol=4.020100e-01
    or (segid "SHRP" and resid   41 and name  HB2) (segid "SHRP" and resid   34 and name  HE1)
    or (segid "SHRP" and resid   41 and name  HB1) (segid "SHRP" and resid   34 and name  HE2)
    or (segid "SHRP" and resid   41 and name  HB1) (segid "SHRP" and resid   34 and name  HE1)
    or (segid "SHRP" and resid   41 and name  HB3) (segid "SHRP" and resid   34 and name  HE2)
    or (segid "SHRP" and resid   41 and name  HB3) (segid "SHRP" and resid   34 and name  HE1)
assign (segid "SHRP" and resid   25 and name   HA) (segid "SHRP" and resid   24 and name HG22) 2.419 0.732 0.732 weight 1.000 ! spec=cnoesy, no=1261, id=1128, vol=1.835710e+00
    or (segid "SHRP" and resid   25 and name   HA) (segid "SHRP" and resid   24 and name HG21)
    or (segid "SHRP" and resid   25 and name   HA) (segid "SHRP" and resid   24 and name HG23)
assign (segid "SHRP" and resid   24 and name   HB) (segid "SHRP" and resid   24 and name HG22) 1.739 0.378 0.378 weight 1.000 ! spec=cnoesy, no=1264, id=1131, vol=1.331918e+01
    or (segid "SHRP" and resid   24 and name   HB) (segid "SHRP" and resid   24 and name HG21)
    or (segid "SHRP" and resid   24 and name   HB) (segid "SHRP" and resid   24 and name HG23)
assign (segid "SHRP" and resid   28 and name  HB2) (segid "SHRP" and resid   24 and name HG22) 2.072 0.537 0.537 weight 1.000 ! spec=cnoesy, no=1265, id=1132, vol=4.653270e+00
    or (segid "SHRP" and resid   28 and name  HB2) (segid "SHRP" and resid   24 and name HG21)
    or (segid "SHRP" and resid   28 and name  HB2) (segid "SHRP" and resid   24 and name HG23)
    or (segid "SHRP" and resid   28 and name  HB1) (segid "SHRP" and resid   24 and name HG22)
    or (segid "SHRP" and resid   28 and name  HB1) (segid "SHRP" and resid   24 and name HG21)
    or (segid "SHRP" and resid   28 and name  HB1) (segid "SHRP" and resid   24 and name HG23)
assign (segid "SHRP" and resid   24 and name HG11) (segid "SHRP" and resid   24 and name HG22) 2.168 0.588 0.588 weight 1.000 ! spec=cnoesy, no=1266, id=1133, vol=3.540500e+00
    or (segid "SHRP" and resid   24 and name HG11) (segid "SHRP" and resid   24 and name HG21)
    or (segid "SHRP" and resid   24 and name HG11) (segid "SHRP" and resid   24 and name HG23)
assign (segid "SHRP" and resid   21 and name   HA) (segid "SHRP" and resid   24 and name HG22) 2.745 0.942 0.942 weight 1.000 ! spec=cnoesy, no=1279, id=1134, vol=8.600800e-01
    or (segid "SHRP" and resid   21 and name   HA) (segid "SHRP" and resid   24 and name HG21)
    or (segid "SHRP" and resid   21 and name   HA) (segid "SHRP" and resid   24 and name HG23)
assign (segid "SHRP" and resid   24 and name HG22) (segid "SHRP" and resid   33 and name  HB2) 2.680 0.898 0.898 weight 1.000 ! spec=cnoesy, no=1280, id=1135, vol=9.926400e-01
    or (segid "SHRP" and resid   24 and name HG22) (segid "SHRP" and resid   33 and name  HB1)
    or (segid "SHRP" and resid   24 and name HG21) (segid "SHRP" and resid   33 and name  HB2)
    or (segid "SHRP" and resid   24 and name HG21) (segid "SHRP" and resid   33 and name  HB1)
    or (segid "SHRP" and resid   24 and name HG23) (segid "SHRP" and resid   33 and name  HB2)
    or (segid "SHRP" and resid   24 and name HG23) (segid "SHRP" and resid   33 and name  HB1)
assign (segid "SHRP" and resid   24 and name HG12) (segid "SHRP" and resid   24 and name HG22) 2.317 0.671 0.671 weight 1.000 ! spec=cnoesy, no=1282, id=1137, vol=2.378140e+00
    or (segid "SHRP" and resid   24 and name HG12) (segid "SHRP" and resid   24 and name HG21)
    or (segid "SHRP" and resid   24 and name HG12) (segid "SHRP" and resid   24 and name HG23)
assign (segid "SHRP" and resid   28 and name  HD2) (segid "SHRP" and resid   24 and name HG22) 2.496 0.779 0.779 weight 1.000 ! spec=cnoesy, no=1283, id=1138, vol=1.523140e+00
    or (segid "SHRP" and resid   28 and name  HD2) (segid "SHRP" and resid   24 and name HG21)
    or (segid "SHRP" and resid   28 and name  HD2) (segid "SHRP" and resid   24 and name HG23)
    or (segid "SHRP" and resid   28 and name  HD1) (segid "SHRP" and resid   24 and name HG22)
    or (segid "SHRP" and resid   28 and name  HD1) (segid "SHRP" and resid   24 and name HG21)
    or (segid "SHRP" and resid   28 and name  HD1) (segid "SHRP" and resid   24 and name HG23)
assign (segid "SHRP" and resid   24 and name   HB) (segid "SHRP" and resid   24 and name HD12) 1.873 0.438 0.438 weight 1.000 ! spec=cnoesy, no=1309, id=1143, vol=8.531970e+00
    or (segid "SHRP" and resid   24 and name   HB) (segid "SHRP" and resid   24 and name HD11)
    or (segid "SHRP" and resid   24 and name   HB) (segid "SHRP" and resid   24 and name HD13)
assign (segid "SHRP" and resid   24 and name HG11) (segid "SHRP" and resid   24 and name HD12) 1.805 0.407 0.407 weight 1.000 ! spec=cnoesy, no=1312, id=1145, vol=1.065414e+01
    or (segid "SHRP" and resid   24 and name HG11) (segid "SHRP" and resid   24 and name HD11)
    or (segid "SHRP" and resid   24 and name HG11) (segid "SHRP" and resid   24 and name HD13)
assign (segid "SHRP" and resid   20 and name   HB) (segid "SHRP" and resid   24 and name HD12) 3.045 1.159 1.159 weight 1.000 ! spec=cnoesy, no=1316, id=1146, vol=4.615100e-01
    or (segid "SHRP" and resid   20 and name   HB) (segid "SHRP" and resid   24 and name HD11)
    or (segid "SHRP" and resid   20 and name   HB) (segid "SHRP" and resid   24 and name HD13)
assign (segid "SHRP" and resid   21 and name   HA) (segid "SHRP" and resid   24 and name HD12) 2.367 0.700 0.700 weight 1.000 ! spec=cnoesy, no=1318, id=1147, vol=2.092270e+00
    or (segid "SHRP" and resid   21 and name   HA) (segid "SHRP" and resid   24 and name HD11)
    or (segid "SHRP" and resid   21 and name   HA) (segid "SHRP" and resid   24 and name HD13)
assign (segid "SHRP" and resid   24 and name HG12) (segid "SHRP" and resid   24 and name HD12) 1.982 0.491 0.491 weight 1.000 ! spec=cnoesy, no=1319, id=1148, vol=6.071990e+00
    or (segid "SHRP" and resid   24 and name HG12) (segid "SHRP" and resid   24 and name HD11)
    or (segid "SHRP" and resid   24 and name HG12) (segid "SHRP" and resid   24 and name HD13)
assign (segid "SHRP" and resid   41 and name   HN) (segid "SHRP" and resid   42 and name   HN) 2.359 0.696 0.696 weight 1.000 ! spec=nnoesy, no=10, id=0, vol=1.420540e+00
assign (segid "SHRP" and resid   41 and name   HN) (segid "SHRP" and resid   40 and name   HN) 2.486 0.772 0.772 weight 1.000 ! spec=nnoesy, no=11, id=1, vol=1.038270e+00
assign (segid "SHRP" and resid   41 and name   HN) (segid "SHRP" and resid   41 and name   HA) 2.505 0.784 0.784 weight 1.000 ! spec=nnoesy, no=14, id=3, vol=9.914400e-01
assign (segid "SHRP" and resid   41 and name   HN) (segid "SHRP" and resid   38 and name   HA) 2.781 0.966 0.966 weight 1.000 ! spec=nnoesy, no=16, id=5, vol=5.301900e-01
assign (segid "SHRP" and resid   41 and name   HN) (segid "SHRP" and resid   40 and name  HB2) 2.423 0.734 0.734 weight 1.000 ! spec=nnoesy, no=17, id=6, vol=1.210580e+00
    or (segid "SHRP" and resid   41 and name   HN) (segid "SHRP" and resid   40 and name  HB1)
assign (segid "SHRP" and resid   41 and name   HN) (segid "SHRP" and resid   41 and name  HB2) 2.101 0.552 0.552 weight 1.000 ! spec=nnoesy, no=19, id=8, vol=2.853190e+00
    or (segid "SHRP" and resid   41 and name   HN) (segid "SHRP" and resid   41 and name  HB1)
    or (segid "SHRP" and resid   41 and name   HN) (segid "SHRP" and resid   41 and name  HB3)
assign (segid "SHRP" and resid   41 and name   HN) (segid "SHRP" and resid   42 and name HG12) 3.337 1.392 1.392 weight 1.000 ! spec=nnoesy, no=21, id=10, vol=1.774200e-01
    or (segid "SHRP" and resid   41 and name   HN) (segid "SHRP" and resid   42 and name HG11)
    or (segid "SHRP" and resid   41 and name   HN) (segid "SHRP" and resid   42 and name HG13)
assign (segid "SHRP" and resid   66 and name   HN) (segid "SHRP" and resid   65 and name   HN) 3.117 1.215 1.215 weight 1.000 ! spec=nnoesy, no=24, id=11, vol=2.670900e-01
assign (segid "SHRP" and resid   66 and name   HN) (segid "SHRP" and resid   65 and name   HB) 2.605 0.848 0.848 weight 1.000 ! spec=nnoesy, no=25, id=12, vol=7.836500e-01
assign (segid "SHRP" and resid   66 and name   HN) (segid "SHRP" and resid   65 and name  HG1) 2.855 1.019 1.019 weight 1.000 ! spec=nnoesy, no=27, id=14, vol=4.528200e-01
assign (segid "SHRP" and resid   66 and name   HN) (segid "SHRP" and resid   66 and name HD22) 2.849 1.014 1.014 weight 1.000 ! spec=nnoesy, no=28, id=15, vol=4.585500e-01
    or (segid "SHRP" and resid   66 and name   HN) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   66 and name   HN) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   66 and name   HN) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   66 and name   HN) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   66 and name   HN) (segid "SHRP" and resid   66 and name HD13)
assign (segid "SHRP" and resid   12 and name   HN) (segid "SHRP" and resid   13 and name   HN) 2.315 0.670 0.670 weight 1.000 ! spec=nnoesy, no=30, id=17, vol=1.593020e+00
assign (segid "SHRP" and resid   12 and name   HN) (segid "SHRP" and resid   11 and name   HA) 3.113 1.211 1.211 weight 1.000 ! spec=nnoesy, no=32, id=18, vol=2.694600e-01
assign (segid "SHRP" and resid   12 and name   HN) (segid "SHRP" and resid   11 and name  HB2) 2.358 0.695 0.695 weight 1.000 ! spec=nnoesy, no=35, id=21, vol=1.425440e+00
    or (segid "SHRP" and resid   12 and name   HN) (segid "SHRP" and resid   11 and name  HB1)
assign (segid "SHRP" and resid   12 and name   HN) (segid "SHRP" and resid    8 and name  HB2) 3.544 1.570 1.570 weight 1.000 ! spec=nnoesy, no=36, id=22, vol=1.236000e-01
    or (segid "SHRP" and resid   12 and name   HN) (segid "SHRP" and resid    8 and name  HB1)
assign (segid "SHRP" and resid   12 and name   HN) (segid "SHRP" and resid   12 and name  HB2) 2.016 0.508 0.508 weight 1.000 ! spec=nnoesy, no=38, id=24, vol=3.648620e+00
    or (segid "SHRP" and resid   12 and name   HN) (segid "SHRP" and resid   12 and name  HB1)
    or (segid "SHRP" and resid   12 and name   HN) (segid "SHRP" and resid   12 and name  HB3)
assign (segid "SHRP" and resid   49 and name   HN) (segid "SHRP" and resid   50 and name   HN) 2.435 0.741 0.741 weight 1.000 ! spec=nnoesy, no=41, id=25, vol=1.176240e+00
assign (segid "SHRP" and resid   49 and name   HN) (segid "SHRP" and resid   48 and name   HN) 2.470 0.763 0.763 weight 1.000 ! spec=nnoesy, no=44, id=27, vol=1.079310e+00
assign (segid "SHRP" and resid   49 and name   HN) (segid "SHRP" and resid   48 and name  HB2) 2.553 0.815 0.815 weight 1.000 ! spec=nnoesy, no=46, id=29, vol=8.845200e-01
    or (segid "SHRP" and resid   49 and name   HN) (segid "SHRP" and resid   48 and name  HB1)
assign (segid "SHRP" and resid   49 and name   HN) (segid "SHRP" and resid   49 and name   HA) 2.617 0.856 0.856 weight 1.000 ! spec=nnoesy, no=47, id=30, vol=7.626700e-01
assign (segid "SHRP" and resid   49 and name   HN) (segid "SHRP" and resid   46 and name   HA) 2.859 1.022 1.022 weight 1.000 ! spec=nnoesy, no=48, id=31, vol=4.483100e-01
assign (segid "SHRP" and resid   49 and name   HN) (segid "SHRP" and resid   49 and name HG22) 2.667 0.889 0.889 weight 1.000 ! spec=nnoesy, no=53, id=35, vol=6.813500e-01
    or (segid "SHRP" and resid   49 and name   HN) (segid "SHRP" and resid   49 and name HG21)
    or (segid "SHRP" and resid   49 and name   HN) (segid "SHRP" and resid   49 and name HG23)
assign (segid "SHRP" and resid   61 and name   HN) (segid "SHRP" and resid   61 and name  HB2) 2.256 0.636 0.636 weight 1.000 ! spec=nnoesy, no=58, id=39, vol=1.857880e+00
    or (segid "SHRP" and resid   61 and name   HN) (segid "SHRP" and resid   61 and name  HB1)
    or (segid "SHRP" and resid   61 and name   HN) (segid "SHRP" and resid   61 and name  HB3)
assign (segid "SHRP" and resid    3 and name   HN) (segid "SHRP" and resid    2 and name   HA) 2.785 0.970 0.970 weight 1.000 ! spec=nnoesy, no=61, id=40, vol=5.247400e-01
assign (segid "SHRP" and resid    3 and name   HN) (segid "SHRP" and resid    3 and name   HA) 3.393 1.439 1.439 weight 1.000 ! spec=nnoesy, no=62, id=41, vol=1.606300e-01
assign (segid "SHRP" and resid    3 and name   HN) (segid "SHRP" and resid    3 and name  HB1) 3.154 1.244 1.244 weight 1.000 ! spec=nnoesy, no=63, id=42, vol=2.487700e-01
assign (segid "SHRP" and resid    3 and name   HN) (segid "SHRP" and resid    3 and name  HG2) 3.534 1.561 1.561 weight 1.000 ! spec=nnoesy, no=66, id=44, vol=1.257800e-01
    or (segid "SHRP" and resid    3 and name   HN) (segid "SHRP" and resid    3 and name  HG1)
assign (segid "SHRP" and resid    3 and name   HN) (segid "SHRP" and resid    3 and name  HB2) 3.183 1.267 1.267 weight 1.000 ! spec=nnoesy, no=67, id=45, vol=2.354800e-01
assign (segid "SHRP" and resid   46 and name   HN) (segid "SHRP" and resid   47 and name   HN) 2.609 0.851 0.851 weight 1.000 ! spec=nnoesy, no=70, id=47, vol=7.771200e-01
assign (segid "SHRP" and resid   46 and name   HN) (segid "SHRP" and resid   46 and name   HA) 2.741 0.939 0.939 weight 1.000 ! spec=nnoesy, no=74, id=51, vol=5.773400e-01
assign (segid "SHRP" and resid   46 and name   HN) (segid "SHRP" and resid   46 and name   HB) 2.416 0.729 0.729 weight 1.000 ! spec=nnoesy, no=75, id=52, vol=1.233660e+00
assign (segid "SHRP" and resid   46 and name   HN) (segid "SHRP" and resid   46 and name HG22) 2.298 0.660 0.660 weight 1.000 ! spec=nnoesy, no=77, id=53, vol=1.663160e+00
    or (segid "SHRP" and resid   46 and name   HN) (segid "SHRP" and resid   46 and name HG21)
    or (segid "SHRP" and resid   46 and name   HN) (segid "SHRP" and resid   46 and name HG23)
    or (segid "SHRP" and resid   46 and name   HN) (segid "SHRP" and resid   46 and name HG12)
    or (segid "SHRP" and resid   46 and name   HN) (segid "SHRP" and resid   46 and name HG11)
    or (segid "SHRP" and resid   46 and name   HN) (segid "SHRP" and resid   46 and name HG13)
assign (segid "SHRP" and resid   60 and name   HN) (segid "SHRP" and resid   59 and name   HA) 2.609 0.851 0.851 weight 1.000 ! spec=nnoesy, no=80, id=55, vol=7.770900e-01
assign (segid "SHRP" and resid   60 and name   HN) (segid "SHRP" and resid   59 and name  HB2) 2.897 1.049 1.049 weight 1.000 ! spec=nnoesy, no=81, id=56, vol=4.142600e-01
    or (segid "SHRP" and resid   60 and name   HN) (segid "SHRP" and resid   59 and name  HB1)
assign (segid "SHRP" and resid   60 and name   HN) (segid "SHRP" and resid    6 and name  HD2) 3.551 1.576 1.576 weight 1.000 ! spec=nnoesy, no=82, id=57, vol=1.221600e-01
    or (segid "SHRP" and resid   60 and name   HN) (segid "SHRP" and resid    6 and name  HD1)
assign (segid "SHRP" and resid   60 and name   HN) (segid "SHRP" and resid   60 and name  HB2) 2.473 0.764 0.764 weight 1.000 ! spec=nnoesy, no=83, id=58, vol=1.071700e+00
    or (segid "SHRP" and resid   60 and name   HN) (segid "SHRP" and resid   60 and name  HB1)
assign (segid "SHRP" and resid    6 and name   HN) (segid "SHRP" and resid    7 and name   HN) 2.481 0.769 0.769 weight 1.000 ! spec=nnoesy, no=87, id=61, vol=1.051410e+00
assign (segid "SHRP" and resid    6 and name   HN) (segid "SHRP" and resid    6 and name  HD2) 3.487 1.520 1.520 weight 1.000 ! spec=nnoesy, no=91, id=64, vol=1.363600e-01
    or (segid "SHRP" and resid    6 and name   HN) (segid "SHRP" and resid    6 and name  HD1)
assign (segid "SHRP" and resid    6 and name   HN) (segid "SHRP" and resid    6 and name  HB2) 2.308 0.666 0.666 weight 1.000 ! spec=nnoesy, no=94, id=67, vol=1.623240e+00
    or (segid "SHRP" and resid    6 and name   HN) (segid "SHRP" and resid    6 and name  HB1)
assign (segid "SHRP" and resid    6 and name   HN) (segid "SHRP" and resid   60 and name  HG2) 2.600 0.845 0.845 weight 1.000 ! spec=nnoesy, no=95, id=68, vol=7.934900e-01
    or (segid "SHRP" and resid    6 and name   HN) (segid "SHRP" and resid   60 and name  HG1)
assign (segid "SHRP" and resid   16 and name   HN) (segid "SHRP" and resid   17 and name  HG2) 2.940 1.080 1.080 weight 1.000 ! spec=nnoesy, no=96, id=69, vol=3.797800e-01
    or (segid "SHRP" and resid   16 and name   HN) (segid "SHRP" and resid   17 and name  HG1)
assign (segid "SHRP" and resid   16 and name   HN) (segid "SHRP" and resid   17 and name   HN) 2.507 0.786 0.786 weight 1.000 ! spec=nnoesy, no=98, id=70, vol=9.874600e-01
assign (segid "SHRP" and resid   16 and name   HN) (segid "SHRP" and resid   16 and name   HA) 2.533 0.802 0.802 weight 1.000 ! spec=nnoesy, no=100, id=71, vol=9.276400e-01
assign (segid "SHRP" and resid   16 and name   HN) (segid "SHRP" and resid   15 and name  HB2) 2.452 0.752 0.752 weight 1.000 ! spec=nnoesy, no=103, id=74, vol=1.127730e+00
    or (segid "SHRP" and resid   16 and name   HN) (segid "SHRP" and resid   15 and name  HB1)
assign (segid "SHRP" and resid   16 and name   HN) (segid "SHRP" and resid   16 and name  HB2) 2.086 0.544 0.544 weight 1.000 ! spec=nnoesy, no=104, id=75, vol=2.973470e+00
    or (segid "SHRP" and resid   16 and name   HN) (segid "SHRP" and resid   16 and name  HB1)
    or (segid "SHRP" and resid   16 and name   HN) (segid "SHRP" and resid   16 and name  HB3)
assign (segid "SHRP" and resid   64 and name   HN) (segid "SHRP" and resid   64 and name   HA) 2.712 0.919 0.919 weight 1.000 ! spec=nnoesy, no=107, id=76, vol=6.158800e-01
assign (segid "SHRP" and resid   64 and name   HN) (segid "SHRP" and resid   63 and name   HA) 2.395 0.717 0.717 weight 1.000 ! spec=nnoesy, no=108, id=77, vol=1.298500e+00
assign (segid "SHRP" and resid   64 and name   HN) (segid "SHRP" and resid   63 and name  HB2) 2.795 0.977 0.977 weight 1.000 ! spec=nnoesy, no=109, id=78, vol=5.136000e-01
    or (segid "SHRP" and resid   64 and name   HN) (segid "SHRP" and resid   63 and name  HB1)
assign (segid "SHRP" and resid   64 and name   HN) (segid "SHRP" and resid   64 and name  HB2) 2.282 0.651 0.651 weight 1.000 ! spec=nnoesy, no=110, id=79, vol=1.735570e+00
    or (segid "SHRP" and resid   64 and name   HN) (segid "SHRP" and resid   64 and name  HB1)
assign (segid "SHRP" and resid   13 and name   HN) (segid "SHRP" and resid   15 and name   HN) 3.354 1.406 1.406 weight 1.000 ! spec=nnoesy, no=116, id=81, vol=1.721600e-01
assign (segid "SHRP" and resid   13 and name   HN) (segid "SHRP" and resid   12 and name   HA) 2.655 0.881 0.881 weight 1.000 ! spec=nnoesy, no=118, id=83, vol=6.996300e-01
assign (segid "SHRP" and resid   13 and name   HN) (segid "SHRP" and resid   13 and name   HA) 2.338 0.684 0.684 weight 1.000 ! spec=nnoesy, no=119, id=84, vol=1.498610e+00
assign (segid "SHRP" and resid   13 and name   HN) (segid "SHRP" and resid   11 and name  HB2) 3.509 1.539 1.539 weight 1.000 ! spec=nnoesy, no=121, id=86, vol=1.313300e-01
    or (segid "SHRP" and resid   13 and name   HN) (segid "SHRP" and resid   11 and name  HB1)
assign (segid "SHRP" and resid   35 and name   HN) (segid "SHRP" and resid   36 and name   HN) 2.451 0.751 0.751 weight 1.000 ! spec=nnoesy, no=126, id=90, vol=1.129920e+00
assign (segid "SHRP" and resid   35 and name   HN) (segid "SHRP" and resid   33 and name   HA) 3.240 1.312 1.312 weight 1.000 ! spec=nnoesy, no=127, id=91, vol=2.117800e-01
assign (segid "SHRP" and resid   35 and name   HN) (segid "SHRP" and resid   34 and name   HA) 2.796 0.977 0.977 weight 1.000 ! spec=nnoesy, no=128, id=92, vol=5.126400e-01
assign (segid "SHRP" and resid   35 and name   HN) (segid "SHRP" and resid   35 and name   HA) 2.395 0.717 0.717 weight 1.000 ! spec=nnoesy, no=129, id=93, vol=1.298080e+00
assign (segid "SHRP" and resid   35 and name   HN) (segid "SHRP" and resid   34 and name  HB2) 2.509 0.787 0.787 weight 1.000 ! spec=nnoesy, no=132, id=96, vol=9.824500e-01
    or (segid "SHRP" and resid   35 and name   HN) (segid "SHRP" and resid   34 and name  HB1)
assign (segid "SHRP" and resid   35 and name   HN) (segid "SHRP" and resid   35 and name  HB2) 2.021 0.510 0.510 weight 1.000 ! spec=nnoesy, no=133, id=97, vol=3.599690e+00
    or (segid "SHRP" and resid   35 and name   HN) (segid "SHRP" and resid   35 and name  HB1)
    or (segid "SHRP" and resid   35 and name   HN) (segid "SHRP" and resid   35 and name  HB3)
assign (segid "SHRP" and resid   46 and name   HN) (segid "SHRP" and resid   45 and name   HN) 2.370 0.702 0.702 weight 1.000 ! spec=nnoesy, no=136, id=100, vol=1.382000e+00
assign (segid "SHRP" and resid   45 and name   HN) (segid "SHRP" and resid   42 and name   HA) 2.769 0.959 0.959 weight 1.000 ! spec=nnoesy, no=141, id=104, vol=5.434200e-01
assign (segid "SHRP" and resid   23 and name   HN) (segid "SHRP" and resid   23 and name  HD2) 3.020 1.140 1.140 weight 1.000 ! spec=nnoesy, no=146, id=108, vol=3.227400e-01
    or (segid "SHRP" and resid   23 and name   HN) (segid "SHRP" and resid   23 and name  HD1)
assign (segid "SHRP" and resid   23 and name   HN) (segid "SHRP" and resid   23 and name   HA) 2.502 0.783 0.783 weight 1.000 ! spec=nnoesy, no=149, id=109, vol=9.979000e-01
assign (segid "SHRP" and resid   23 and name   HN) (segid "SHRP" and resid   22 and name  HB2) 2.766 0.956 0.956 weight 1.000 ! spec=nnoesy, no=150, id=110, vol=5.474100e-01
assign (segid "SHRP" and resid   23 and name   HN) (segid "SHRP" and resid   23 and name  HB2) 2.332 0.680 0.680 weight 1.000 ! spec=nnoesy, no=151, id=111, vol=1.523110e+00
    or (segid "SHRP" and resid   23 and name   HN) (segid "SHRP" and resid   23 and name  HB1)
assign (segid "SHRP" and resid   23 and name   HN) (segid "SHRP" and resid   23 and name  HG2) 2.773 0.961 0.961 weight 1.000 ! spec=nnoesy, no=152, id=112, vol=5.394400e-01
    or (segid "SHRP" and resid   23 and name   HN) (segid "SHRP" and resid   23 and name  HG1)
assign (segid "SHRP" and resid   34 and name   HN) (segid "SHRP" and resid   33 and name   HA) 3.315 1.374 1.374 weight 1.000 ! spec=nnoesy, no=154, id=114, vol=1.845500e-01
assign (segid "SHRP" and resid    8 and name   HN) (segid "SHRP" and resid    7 and name   HN) 2.514 0.790 0.790 weight 1.000 ! spec=nnoesy, no=156, id=116, vol=9.717500e-01
assign (segid "SHRP" and resid    8 and name   HN) (segid "SHRP" and resid    9 and name   HN) 2.334 0.681 0.681 weight 1.000 ! spec=nnoesy, no=157, id=117, vol=1.515550e+00
assign (segid "SHRP" and resid    8 and name   HN) (segid "SHRP" and resid    7 and name  HB1) 2.659 0.884 0.884 weight 1.000 ! spec=nnoesy, no=160, id=120, vol=6.928400e-01
assign (segid "SHRP" and resid    8 and name   HN) (segid "SHRP" and resid    8 and name  HB2) 2.273 0.646 0.646 weight 1.000 ! spec=nnoesy, no=161, id=121, vol=1.778070e+00
    or (segid "SHRP" and resid    8 and name   HN) (segid "SHRP" and resid    8 and name  HB1)
assign (segid "SHRP" and resid    9 and name   HN) (segid "SHRP" and resid    8 and name  HB2) 2.215 0.613 0.613 weight 1.000 ! spec=nnoesy, no=170, id=129, vol=2.072940e+00
    or (segid "SHRP" and resid    9 and name   HN) (segid "SHRP" and resid    8 and name  HB1)
assign (segid "SHRP" and resid    9 and name   HN) (segid "SHRP" and resid    9 and name  HB2) 2.492 0.776 0.776 weight 1.000 ! spec=nnoesy, no=171, id=130, vol=1.022410e+00
assign (segid "SHRP" and resid   21 and name   HN) (segid "SHRP" and resid   17 and name   HA) 2.394 0.716 0.716 weight 1.000 ! spec=nnoesy, no=174, id=132, vol=1.303250e+00
assign (segid "SHRP" and resid    9 and name   HN) (segid "SHRP" and resid    9 and name  HB1) 2.416 0.730 0.730 weight 1.000 ! spec=nnoesy, no=176, id=134, vol=1.231130e+00
assign (segid "SHRP" and resid   21 and name   HN) (segid "SHRP" and resid   20 and name HG22) 2.787 0.971 0.971 weight 1.000 ! spec=nnoesy, no=185, id=142, vol=5.228600e-01
    or (segid "SHRP" and resid   21 and name   HN) (segid "SHRP" and resid   20 and name HG21)
    or (segid "SHRP" and resid   21 and name   HN) (segid "SHRP" and resid   20 and name HG23)
assign (segid "SHRP" and resid   67 and name   HN) (segid "SHRP" and resid   67 and name   HA) 2.503 0.783 0.783 weight 1.000 ! spec=nnoesy, no=188, id=144, vol=9.970900e-01
assign (segid "SHRP" and resid   35 and name   HN) (segid "SHRP" and resid   34 and name   HN) 2.277 0.648 0.648 weight 1.000 ! spec=nnoesy, no=192, id=148, vol=1.756560e+00
assign (segid "SHRP" and resid   19 and name   HN) (segid "SHRP" and resid   18 and name  HB2) 2.683 0.900 0.900 weight 1.000 ! spec=nnoesy, no=207, id=161, vol=6.563600e-01
    or (segid "SHRP" and resid   19 and name   HN) (segid "SHRP" and resid   18 and name  HB1)
assign (segid "SHRP" and resid   27 and name   HN) (segid "SHRP" and resid   28 and name  HD2) 2.612 0.853 0.853 weight 1.000 ! spec=nnoesy, no=208, id=162, vol=7.718600e-01
    or (segid "SHRP" and resid   27 and name   HN) (segid "SHRP" and resid   28 and name  HD1)
assign (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   51 and name   HN) 2.424 0.735 0.735 weight 1.000 ! spec=nnoesy, no=212, id=164, vol=1.207110e+00
assign (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   48 and name   HA) 3.431 1.471 1.471 weight 1.000 ! spec=nnoesy, no=214, id=166, vol=1.502500e-01
assign (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   48 and name  HB2) 3.552 1.577 1.577 weight 1.000 ! spec=nnoesy, no=215, id=167, vol=1.220900e-01
    or (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   48 and name  HB1)
assign (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   47 and name   HA) 2.919 1.065 1.065 weight 1.000 ! spec=nnoesy, no=216, id=168, vol=3.963000e-01
assign (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   50 and name   HA) 2.499 0.781 0.781 weight 1.000 ! spec=nnoesy, no=217, id=169, vol=1.006110e+00
assign (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   46 and name   HA) 3.241 1.313 1.313 weight 1.000 ! spec=nnoesy, no=218, id=170, vol=2.113300e-01
assign (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   50 and name  HE2) 3.275 1.341 1.341 weight 1.000 ! spec=nnoesy, no=219, id=171, vol=1.986400e-01
    or (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   50 and name  HE1)
assign (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   50 and name  HB2) 2.199 0.604 0.604 weight 1.000 ! spec=nnoesy, no=220, id=172, vol=2.167210e+00
    or (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   50 and name  HB1)
assign (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   49 and name HG12) 2.328 0.678 0.678 weight 1.000 ! spec=nnoesy, no=221, id=173, vol=1.538240e+00
assign (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   50 and name  HG2) 2.881 1.037 1.037 weight 1.000 ! spec=nnoesy, no=222, id=174, vol=4.286500e-01
    or (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   50 and name  HG1)
assign (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   49 and name HD12) 2.579 0.832 0.832 weight 1.000 ! spec=nnoesy, no=223, id=175, vol=8.324900e-01
    or (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   49 and name HD11)
    or (segid "SHRP" and resid   50 and name   HN) (segid "SHRP" and resid   49 and name HD13)
assign (segid "SHRP" and resid   38 and name   HN) (segid "SHRP" and resid   34 and name  HD2) 3.590 1.611 1.611 weight 1.000 ! spec=nnoesy, no=231, id=183, vol=1.144100e-01
    or (segid "SHRP" and resid   38 and name   HN) (segid "SHRP" and resid   34 and name  HD1)
assign (segid "SHRP" and resid   38 and name   HN) (segid "SHRP" and resid   38 and name HG22) 2.280 0.650 0.650 weight 1.000 ! spec=nnoesy, no=232, id=184, vol=1.744660e+00
    or (segid "SHRP" and resid   38 and name   HN) (segid "SHRP" and resid   38 and name HG21)
    or (segid "SHRP" and resid   38 and name   HN) (segid "SHRP" and resid   38 and name HG23)
    or (segid "SHRP" and resid   38 and name   HN) (segid "SHRP" and resid   38 and name HG12)
    or (segid "SHRP" and resid   38 and name   HN) (segid "SHRP" and resid   38 and name HG11)
    or (segid "SHRP" and resid   38 and name   HN) (segid "SHRP" and resid   38 and name HG13)
assign (segid "SHRP" and resid   13 and name   HN) (segid "SHRP" and resid   14 and name   HN) 2.419 0.732 0.732 weight 1.000 ! spec=nnoesy, no=234, id=186, vol=1.222290e+00
assign (segid "SHRP" and resid   14 and name   HN) (segid "SHRP" and resid   11 and name   HA) 3.055 1.167 1.167 weight 1.000 ! spec=nnoesy, no=236, id=187, vol=3.011700e-01
assign (segid "SHRP" and resid   14 and name   HN) (segid "SHRP" and resid   14 and name   HA) 2.308 0.666 0.666 weight 1.000 ! spec=nnoesy, no=237, id=188, vol=1.620390e+00
assign (segid "SHRP" and resid   30 and name   HN) (segid "SHRP" and resid   30 and name  HB2) 2.088 0.545 0.545 weight 1.000 ! spec=nnoesy, no=242, id=193, vol=2.955860e+00
    or (segid "SHRP" and resid   30 and name   HN) (segid "SHRP" and resid   30 and name  HB1)
assign (segid "SHRP" and resid   20 and name   HN) (segid "SHRP" and resid   20 and name   HB) 2.278 0.648 0.648 weight 1.000 ! spec=nnoesy, no=249, id=198, vol=1.755020e+00
assign (segid "SHRP" and resid   20 and name   HN) (segid "SHRP" and resid   20 and name HG22) 2.341 0.685 0.685 weight 1.000 ! spec=nnoesy, no=253, id=202, vol=1.488850e+00
    or (segid "SHRP" and resid   20 and name   HN) (segid "SHRP" and resid   20 and name HG21)
    or (segid "SHRP" and resid   20 and name   HN) (segid "SHRP" and resid   20 and name HG23)
assign (segid "SHRP" and resid   27 and name   HN) (segid "SHRP" and resid   26 and name   HN) 2.573 0.828 0.828 weight 1.000 ! spec=nnoesy, no=254, id=203, vol=8.437200e-01
assign (segid "SHRP" and resid   27 and name   HN) (segid "SHRP" and resid   26 and name  HB2) 2.569 0.825 0.825 weight 1.000 ! spec=nnoesy, no=258, id=207, vol=8.534000e-01
    or (segid "SHRP" and resid   27 and name   HN) (segid "SHRP" and resid   26 and name  HB1)
assign (segid "SHRP" and resid   39 and name   HN) (segid "SHRP" and resid   39 and name   HA) 3.394 1.440 1.440 weight 1.000 ! spec=nnoesy, no=262, id=210, vol=1.603600e-01
assign (segid "SHRP" and resid   39 and name   HN) (segid "SHRP" and resid   36 and name   HA) 2.608 0.851 0.851 weight 1.000 ! spec=nnoesy, no=263, id=211, vol=7.779700e-01
assign (segid "SHRP" and resid   39 and name   HN) (segid "SHRP" and resid   38 and name   HA) 3.005 1.129 1.129 weight 1.000 ! spec=nnoesy, no=264, id=212, vol=3.325300e-01
assign (segid "SHRP" and resid   39 and name   HN) (segid "SHRP" and resid   38 and name   HB) 2.653 0.880 0.880 weight 1.000 ! spec=nnoesy, no=266, id=214, vol=7.022400e-01
assign (segid "SHRP" and resid   39 and name   HN) (segid "SHRP" and resid   38 and name HG22) 2.958 1.094 1.094 weight 1.000 ! spec=nnoesy, no=268, id=216, vol=3.659300e-01
    or (segid "SHRP" and resid   39 and name   HN) (segid "SHRP" and resid   38 and name HG21)
    or (segid "SHRP" and resid   39 and name   HN) (segid "SHRP" and resid   38 and name HG23)
    or (segid "SHRP" and resid   39 and name   HN) (segid "SHRP" and resid   38 and name HG12)
    or (segid "SHRP" and resid   39 and name   HN) (segid "SHRP" and resid   38 and name HG11)
    or (segid "SHRP" and resid   39 and name   HN) (segid "SHRP" and resid   38 and name HG13)
assign (segid "SHRP" and resid   22 and name   HN) (segid "SHRP" and resid   21 and name  HB2) 2.404 0.722 0.722 weight 1.000 ! spec=nnoesy, no=274, id=222, vol=1.269980e+00
    or (segid "SHRP" and resid   22 and name   HN) (segid "SHRP" and resid   21 and name  HB1)
assign (segid "SHRP" and resid   33 and name   HN) (segid "SHRP" and resid   33 and name   HA) 2.810 0.987 0.987 weight 1.000 ! spec=nnoesy, no=276, id=224, vol=4.976700e-01
assign (segid "SHRP" and resid   33 and name   HN) (segid "SHRP" and resid   32 and name  HA2) 3.132 1.226 1.226 weight 1.000 ! spec=nnoesy, no=277, id=225, vol=2.596500e-01
assign (segid "SHRP" and resid   33 and name   HN) (segid "SHRP" and resid   33 and name  HB2) 2.742 0.940 0.940 weight 1.000 ! spec=nnoesy, no=278, id=226, vol=5.771600e-01
    or (segid "SHRP" and resid   33 and name   HN) (segid "SHRP" and resid   33 and name  HB1)
assign (segid "SHRP" and resid    4 and name   HN) (segid "SHRP" and resid    5 and name   HN) 2.338 0.683 0.683 weight 1.000 ! spec=nnoesy, no=288, id=233, vol=1.502110e+00
assign (segid "SHRP" and resid    4 and name   HN) (segid "SHRP" and resid    4 and name   HA) 2.434 0.741 0.741 weight 1.000 ! spec=nnoesy, no=290, id=235, vol=1.177980e+00
assign (segid "SHRP" and resid    4 and name   HN) (segid "SHRP" and resid    3 and name   HA) 3.021 1.141 1.141 weight 1.000 ! spec=nnoesy, no=291, id=236, vol=3.226200e-01
assign (segid "SHRP" and resid    4 and name   HN) (segid "SHRP" and resid    2 and name  HB2) 3.024 1.143 1.143 weight 1.000 ! spec=nnoesy, no=292, id=237, vol=3.204200e-01
    or (segid "SHRP" and resid    4 and name   HN) (segid "SHRP" and resid    2 and name  HB1)
assign (segid "SHRP" and resid    7 and name   HN) (segid "SHRP" and resid    7 and name   HA) 2.602 0.847 0.847 weight 1.000 ! spec=nnoesy, no=297, id=241, vol=7.888500e-01
assign (segid "SHRP" and resid    7 and name   HN) (segid "SHRP" and resid    6 and name   HA) 3.005 1.129 1.129 weight 1.000 ! spec=nnoesy, no=299, id=243, vol=3.327000e-01
assign (segid "SHRP" and resid    7 and name   HN) (segid "SHRP" and resid    7 and name  HB2) 2.387 0.712 0.712 weight 1.000 ! spec=nnoesy, no=300, id=244, vol=1.326260e+00
assign (segid "SHRP" and resid    7 and name   HN) (segid "SHRP" and resid    7 and name  HB1) 2.569 0.825 0.825 weight 1.000 ! spec=nnoesy, no=301, id=245, vol=8.519500e-01
assign (segid "SHRP" and resid    7 and name   HN) (segid "SHRP" and resid    6 and name  HB2) 2.514 0.790 0.790 weight 1.000 ! spec=nnoesy, no=302, id=246, vol=9.712100e-01
    or (segid "SHRP" and resid    7 and name   HN) (segid "SHRP" and resid    6 and name  HB1)
assign (segid "SHRP" and resid   24 and name   HN) (segid "SHRP" and resid   22 and name   HA) 3.636 1.653 1.653 weight 1.000 ! spec=nnoesy, no=304, id=248, vol=1.060400e-01
assign (segid "SHRP" and resid   23 and name   HN) (segid "SHRP" and resid   24 and name   HN) 2.510 0.787 0.787 weight 1.000 ! spec=nnoesy, no=306, id=249, vol=9.809100e-01
assign (segid "SHRP" and resid   24 and name   HN) (segid "SHRP" and resid   25 and name   HN) 2.542 0.808 0.808 weight 1.000 ! spec=nnoesy, no=307, id=250, vol=9.076300e-01
assign (segid "SHRP" and resid   24 and name   HN) (segid "SHRP" and resid   24 and name   HA) 2.666 0.888 0.888 weight 1.000 ! spec=nnoesy, no=310, id=253, vol=6.825500e-01
assign (segid "SHRP" and resid   24 and name   HN) (segid "SHRP" and resid   24 and name   HB) 2.247 0.631 0.631 weight 1.000 ! spec=nnoesy, no=311, id=254, vol=1.906490e+00
assign (segid "SHRP" and resid   24 and name   HN) (segid "SHRP" and resid   24 and name HG12) 2.452 0.751 0.751 weight 1.000 ! spec=nnoesy, no=312, id=255, vol=1.128790e+00
assign (segid "SHRP" and resid   24 and name   HN) (segid "SHRP" and resid   23 and name  HG2) 3.372 1.421 1.421 weight 1.000 ! spec=nnoesy, no=313, id=256, vol=1.667400e-01
    or (segid "SHRP" and resid   24 and name   HN) (segid "SHRP" and resid   23 and name  HG1)
assign (segid "SHRP" and resid   24 and name   HN) (segid "SHRP" and resid   24 and name HG11) 2.710 0.918 0.918 weight 1.000 ! spec=nnoesy, no=314, id=257, vol=6.193000e-01
assign (segid "SHRP" and resid   40 and name   HN) (segid "SHRP" and resid   39 and name  HD2) 3.536 1.563 1.563 weight 1.000 ! spec=nnoesy, no=319, id=262, vol=1.252800e-01
    or (segid "SHRP" and resid   40 and name   HN) (segid "SHRP" and resid   39 and name  HD1)
assign (segid "SHRP" and resid   18 and name   HN) (segid "SHRP" and resid   18 and name  HB2) 2.286 0.653 0.653 weight 1.000 ! spec=nnoesy, no=332, id=274, vol=1.717730e+00
    or (segid "SHRP" and resid   18 and name   HN) (segid "SHRP" and resid   18 and name  HB1)
assign (segid "SHRP" and resid   51 and name   HN) (segid "SHRP" and resid   50 and name  HD2) 2.915 1.062 1.062 weight 1.000 ! spec=nnoesy, no=334, id=276, vol=3.994200e-01
    or (segid "SHRP" and resid   51 and name   HN) (segid "SHRP" and resid   50 and name  HD1)
assign (segid "SHRP" and resid   52 and name   HN) (segid "SHRP" and resid   51 and name  HB2) 2.710 0.918 0.918 weight 1.000 ! spec=nnoesy, no=342, id=284, vol=6.187900e-01
    or (segid "SHRP" and resid   52 and name   HN) (segid "SHRP" and resid   51 and name  HB1)
assign (segid "SHRP" and resid   26 and name   HN) (segid "SHRP" and resid   26 and name   HA) 2.569 0.825 0.825 weight 1.000 ! spec=nnoesy, no=346, id=287, vol=8.526900e-01
assign (segid "SHRP" and resid   26 and name   HN) (segid "SHRP" and resid   25 and name   HA) 3.125 1.221 1.221 weight 1.000 ! spec=nnoesy, no=351, id=292, vol=2.630000e-01
assign (segid "SHRP" and resid   26 and name   HN) (segid "SHRP" and resid   24 and name   HA) 3.642 1.658 1.658 weight 1.000 ! spec=nnoesy, no=352, id=293, vol=1.050700e-01
assign (segid "SHRP" and resid   42 and name   HN) (segid "SHRP" and resid   41 and name   HA) 3.003 1.127 1.127 weight 1.000 ! spec=nnoesy, no=355, id=295, vol=3.340100e-01
assign (segid "SHRP" and resid   42 and name   HN) (segid "SHRP" and resid   42 and name   HA) 2.519 0.793 0.793 weight 1.000 ! spec=nnoesy, no=357, id=297, vol=9.583600e-01
assign (segid "SHRP" and resid   42 and name   HN) (segid "SHRP" and resid   41 and name  HB2) 2.453 0.752 0.752 weight 1.000 ! spec=nnoesy, no=359, id=299, vol=1.124940e+00
    or (segid "SHRP" and resid   42 and name   HN) (segid "SHRP" and resid   41 and name  HB1)
    or (segid "SHRP" and resid   42 and name   HN) (segid "SHRP" and resid   41 and name  HB3)
assign (segid "SHRP" and resid   42 and name   HN) (segid "SHRP" and resid   42 and name HG22) 2.235 0.625 0.625 weight 1.000 ! spec=nnoesy, no=360, id=300, vol=1.965170e+00
    or (segid "SHRP" and resid   42 and name   HN) (segid "SHRP" and resid   42 and name HG21)
    or (segid "SHRP" and resid   42 and name   HN) (segid "SHRP" and resid   42 and name HG23)
assign (segid "SHRP" and resid   42 and name   HN) (segid "SHRP" and resid   42 and name HG12) 2.626 0.862 0.862 weight 1.000 ! spec=nnoesy, no=361, id=301, vol=7.469100e-01
    or (segid "SHRP" and resid   42 and name   HN) (segid "SHRP" and resid   42 and name HG11)
    or (segid "SHRP" and resid   42 and name   HN) (segid "SHRP" and resid   42 and name HG13)
assign (segid "SHRP" and resid   26 and name   HN) (segid "SHRP" and resid   28 and name   HN) 3.314 1.373 1.373 weight 1.000 ! spec=nnoesy, no=364, id=303, vol=1.849300e-01
assign (segid "SHRP" and resid   28 and name   HN) (segid "SHRP" and resid   27 and name   HA) 2.776 0.963 0.963 weight 1.000 ! spec=nnoesy, no=369, id=307, vol=5.353400e-01
assign (segid "SHRP" and resid   28 and name   HN) (segid "SHRP" and resid   28 and name   HA) 2.328 0.678 0.678 weight 1.000 ! spec=nnoesy, no=371, id=309, vol=1.538070e+00
assign (segid "SHRP" and resid   28 and name   HN) (segid "SHRP" and resid   24 and name   HA) 3.460 1.496 1.496 weight 1.000 ! spec=nnoesy, no=372, id=310, vol=1.429000e-01
assign (segid "SHRP" and resid   53 and name   HN) (segid "SHRP" and resid   53 and name  HB2) 2.107 0.555 0.555 weight 1.000 ! spec=nnoesy, no=378, id=315, vol=2.800900e+00
assign (segid "SHRP" and resid   47 and name   HN) (segid "SHRP" and resid   46 and name   HB) 2.292 0.657 0.657 weight 1.000 ! spec=nnoesy, no=383, id=320, vol=1.688790e+00
assign (segid "SHRP" and resid   31 and name   HN) (segid "SHRP" and resid   31 and name HG22) 2.203 0.607 0.607 weight 1.000 ! spec=nnoesy, no=384, id=321, vol=2.144470e+00
    or (segid "SHRP" and resid   31 and name   HN) (segid "SHRP" and resid   31 and name HG21)
    or (segid "SHRP" and resid   31 and name   HN) (segid "SHRP" and resid   31 and name HG23)
    or (segid "SHRP" and resid   31 and name   HN) (segid "SHRP" and resid   31 and name HG12)
    or (segid "SHRP" and resid   31 and name   HN) (segid "SHRP" and resid   31 and name HG11)
    or (segid "SHRP" and resid   31 and name   HN) (segid "SHRP" and resid   31 and name HG13)
assign (segid "SHRP" and resid   17 and name   HN) (segid "SHRP" and resid   17 and name   HA) 2.496 0.779 0.779 weight 1.000 ! spec=nnoesy, no=387, id=323, vol=1.012420e+00
assign (segid "SHRP" and resid   37 and name   HN) (segid "SHRP" and resid   34 and name   HA) 2.988 1.116 1.116 weight 1.000 ! spec=nnoesy, no=397, id=331, vol=3.440900e-01
assign (segid "SHRP" and resid   37 and name   HN) (segid "SHRP" and resid   37 and name  HG2) 2.526 0.798 0.798 weight 1.000 ! spec=nnoesy, no=399, id=333, vol=9.434700e-01
    or (segid "SHRP" and resid   37 and name   HN) (segid "SHRP" and resid   37 and name  HG1)
assign (segid "SHRP" and resid   37 and name   HN) (segid "SHRP" and resid   37 and name  HB2) 2.365 0.699 0.699 weight 1.000 ! spec=nnoesy, no=400, id=334, vol=1.401440e+00
    or (segid "SHRP" and resid   37 and name   HN) (segid "SHRP" and resid   37 and name  HB1)
assign (segid "SHRP" and resid   15 and name   HN) (segid "SHRP" and resid   14 and name  HB2) 2.323 0.674 0.674 weight 1.000 ! spec=nnoesy, no=412, id=345, vol=1.560310e+00
    or (segid "SHRP" and resid   15 and name   HN) (segid "SHRP" and resid   14 and name  HB1)
    or (segid "SHRP" and resid   15 and name   HN) (segid "SHRP" and resid   14 and name  HB3)
assign (segid "SHRP" and resid   25 and name   HN) (segid "SHRP" and resid   26 and name   HN) 2.737 0.937 0.937 weight 1.000 ! spec=nnoesy, no=415, id=347, vol=5.826200e-01
assign (segid "SHRP" and resid   25 and name   HN) (segid "SHRP" and resid   25 and name   HA) 2.606 0.849 0.849 weight 1.000 ! spec=nnoesy, no=417, id=349, vol=7.816900e-01
assign (segid "SHRP" and resid   25 and name   HN) (segid "SHRP" and resid   24 and name   HA) 3.199 1.279 1.279 weight 1.000 ! spec=nnoesy, no=418, id=350, vol=2.285400e-01
assign (segid "SHRP" and resid   25 and name   HN) (segid "SHRP" and resid   25 and name  HG2) 2.457 0.755 0.755 weight 1.000 ! spec=nnoesy, no=419, id=351, vol=1.113290e+00
    or (segid "SHRP" and resid   25 and name   HN) (segid "SHRP" and resid   25 and name  HG1)
assign (segid "SHRP" and resid   25 and name   HN) (segid "SHRP" and resid   24 and name HG11) 3.524 1.553 1.553 weight 1.000 ! spec=nnoesy, no=421, id=353, vol=1.279000e-01
assign (segid "SHRP" and resid   25 and name   HN) (segid "SHRP" and resid   24 and name HG22) 2.760 0.952 0.952 weight 1.000 ! spec=nnoesy, no=422, id=354, vol=5.539300e-01
    or (segid "SHRP" and resid   25 and name   HN) (segid "SHRP" and resid   24 and name HG21)
    or (segid "SHRP" and resid   25 and name   HN) (segid "SHRP" and resid   24 and name HG23)
assign (segid "SHRP" and resid   11 and name   HN) (segid "SHRP" and resid   11 and name   HA) 2.625 0.861 0.861 weight 1.000 ! spec=nnoesy, no=426, id=356, vol=7.488100e-01
assign (segid "SHRP" and resid   11 and name   HN) (segid "SHRP" and resid    8 and name   HA) 2.805 0.983 0.983 weight 1.000 ! spec=nnoesy, no=427, id=357, vol=5.033400e-01
assign (segid "SHRP" and resid   11 and name   HN) (segid "SHRP" and resid   10 and name   HA) 2.943 1.083 1.083 weight 1.000 ! spec=nnoesy, no=428, id=358, vol=3.771700e-01
assign (segid "SHRP" and resid   11 and name   HN) (segid "SHRP" and resid   11 and name  HB2) 2.166 0.586 0.586 weight 1.000 ! spec=nnoesy, no=429, id=359, vol=2.372600e+00
    or (segid "SHRP" and resid   11 and name   HN) (segid "SHRP" and resid   11 and name  HB1)
assign (segid "SHRP" and resid   11 and name   HN) (segid "SHRP" and resid   10 and name  HB2) 2.415 0.729 0.729 weight 1.000 ! spec=nnoesy, no=430, id=360, vol=1.236470e+00
    or (segid "SHRP" and resid   11 and name   HN) (segid "SHRP" and resid   10 and name  HB1)
assign (segid "SHRP" and resid   11 and name   HN) (segid "SHRP" and resid    8 and name  HB2) 3.468 1.503 1.503 weight 1.000 ! spec=nnoesy, no=433, id=362, vol=1.408800e-01
    or (segid "SHRP" and resid   11 and name   HN) (segid "SHRP" and resid    8 and name  HB1)
assign (segid "SHRP" and resid   63 and name   HN) (segid "SHRP" and resid   63 and name  HB2) 2.692 0.906 0.906 weight 1.000 ! spec=nnoesy, no=443, id=365, vol=6.444900e-01
    or (segid "SHRP" and resid   63 and name   HN) (segid "SHRP" and resid   63 and name  HB1)
assign (segid "SHRP" and resid   44 and name   HN) (segid "SHRP" and resid   43 and name   HN) 2.481 0.769 0.769 weight 1.000 ! spec=nnoesy, no=445, id=366, vol=1.051960e+00
assign (segid "SHRP" and resid   45 and name   HN) (segid "SHRP" and resid   44 and name   HN) 2.425 0.735 0.735 weight 1.000 ! spec=nnoesy, no=447, id=367, vol=1.205650e+00
assign (segid "SHRP" and resid   44 and name   HN) (segid "SHRP" and resid   44 and name   HA) 2.344 0.687 0.687 weight 1.000 ! spec=nnoesy, no=449, id=369, vol=1.476040e+00
assign (segid "SHRP" and resid   44 and name   HN) (segid "SHRP" and resid   42 and name   HA) 3.511 1.541 1.541 weight 1.000 ! spec=nnoesy, no=451, id=371, vol=1.307500e-01
assign (segid "SHRP" and resid   43 and name   HN) (segid "SHRP" and resid   42 and name   HA) 2.868 1.028 1.028 weight 1.000 ! spec=nnoesy, no=463, id=380, vol=4.407700e-01
assign (segid "SHRP" and resid   43 and name   HN) (segid "SHRP" and resid   42 and name   HB) 2.473 0.764 0.764 weight 1.000 ! spec=nnoesy, no=464, id=381, vol=1.071840e+00
assign (segid "SHRP" and resid   43 and name   HN) (segid "SHRP" and resid   42 and name HG22) 2.742 0.940 0.940 weight 1.000 ! spec=nnoesy, no=466, id=383, vol=5.769900e-01
    or (segid "SHRP" and resid   43 and name   HN) (segid "SHRP" and resid   42 and name HG21)
    or (segid "SHRP" and resid   43 and name   HN) (segid "SHRP" and resid   42 and name HG23)
assign (segid "SHRP" and resid   57 and name   HN) (segid "SHRP" and resid   56 and name  HA2) 3.335 1.390 1.390 weight 1.000 ! spec=nnoesy, no=469, id=385, vol=1.782100e-01
    or (segid "SHRP" and resid   57 and name   HN) (segid "SHRP" and resid   56 and name  HA1)
assign (segid "SHRP" and resid   48 and name   HN) (segid "SHRP" and resid   48 and name   HA) 2.482 0.770 0.770 weight 1.000 ! spec=nnoesy, no=470, id=386, vol=1.047000e+00
assign (segid "SHRP" and resid   48 and name   HN) (segid "SHRP" and resid   66 and name HD22) 3.623 1.641 1.641 weight 1.000 ! spec=nnoesy, no=474, id=388, vol=1.083500e-01
    or (segid "SHRP" and resid   48 and name   HN) (segid "SHRP" and resid   66 and name HD21)
    or (segid "SHRP" and resid   48 and name   HN) (segid "SHRP" and resid   66 and name HD23)
    or (segid "SHRP" and resid   48 and name   HN) (segid "SHRP" and resid   66 and name HD12)
    or (segid "SHRP" and resid   48 and name   HN) (segid "SHRP" and resid   66 and name HD11)
    or (segid "SHRP" and resid   48 and name   HN) (segid "SHRP" and resid   66 and name HD13)
assign (segid "SHRP" and resid   65 and name   HN) (segid "SHRP" and resid   64 and name   HA) 2.321 0.673 0.673 weight 1.000 ! spec=nnoesy, no=479, id=390, vol=1.568050e+00
assign (segid "SHRP" and resid   65 and name   HN) (segid "SHRP" and resid   65 and name   HA) 2.421 0.733 0.733 weight 1.000 ! spec=nnoesy, no=480, id=391, vol=1.217040e+00
assign (segid "SHRP" and resid   47 and name   HN) (segid "SHRP" and resid   48 and name   HN) 2.560 0.819 0.819 weight 1.000 ! spec=nnoesy, no=486, id=397, vol=8.715800e-01
assign (segid "SHRP" and resid   48 and name   HN) (segid "SHRP" and resid   48 and name  HB2) 2.244 0.629 0.629 weight 1.000 ! spec=nnoesy, no=487, id=398, vol=1.920490e+00
    or (segid "SHRP" and resid   48 and name   HN) (segid "SHRP" and resid   48 and name  HB1)
assign (segid "SHRP" and resid   48 and name   HN) (segid "SHRP" and resid   47 and name  HB2) 2.436 0.742 0.742 weight 1.000 ! spec=nnoesy, no=488, id=399, vol=1.173920e+00
    or (segid "SHRP" and resid   48 and name   HN) (segid "SHRP" and resid   47 and name  HB1)
assign (segid "SHRP" and resid   48 and name   HN) (segid "SHRP" and resid   50 and name  HB2) 3.421 1.463 1.463 weight 1.000 ! spec=nnoesy, no=489, id=400, vol=1.529100e-01
    or (segid "SHRP" and resid   48 and name   HN) (segid "SHRP" and resid   50 and name  HB1)
assign (segid "SHRP" and resid   54 and name   HN) (segid "SHRP" and resid   54 and name   HA) 2.246 0.630 0.630 weight 1.000 ! spec=nnoesy, no=493, id=402, vol=1.910540e+00
assign (segid "SHRP" and resid   54 and name   HN) (segid "SHRP" and resid   53 and name   HA) 2.632 0.866 0.866 weight 1.000 ! spec=nnoesy, no=494, id=403, vol=7.366200e-01
assign (segid "SHRP" and resid   54 and name   HN) (segid "SHRP" and resid   54 and name  HB2) 2.180 0.594 0.594 weight 1.000 ! spec=nnoesy, no=495, id=404, vol=2.282390e+00
    or (segid "SHRP" and resid   54 and name   HN) (segid "SHRP" and resid   54 and name  HB1)
assign (segid "SHRP" and resid   54 and name   HN) (segid "SHRP" and resid   53 and name  HB2) 3.336 1.391 1.391 weight 1.000 ! spec=nnoesy, no=497, id=406, vol=1.776500e-01
assign (segid "SHRP" and resid   54 and name   HN) (segid "SHRP" and resid   53 and name  HB1) 2.745 0.942 0.942 weight 1.000 ! spec=nnoesy, no=498, id=407, vol=5.722000e-01
assign (segid "SHRP" and resid   54 and name   HN) (segid "SHRP" and resid   53 and name HD22) 2.855 1.019 1.019 weight 1.000 ! spec=nnoesy, no=499, id=408, vol=4.528800e-01
    or (segid "SHRP" and resid   54 and name   HN) (segid "SHRP" and resid   53 and name HD21)
    or (segid "SHRP" and resid   54 and name   HN) (segid "SHRP" and resid   53 and name HD23)
    or (segid "SHRP" and resid   54 and name   HN) (segid "SHRP" and resid   53 and name HD12)
    or (segid "SHRP" and resid   54 and name   HN) (segid "SHRP" and resid   53 and name HD11)
    or (segid "SHRP" and resid   54 and name   HN) (segid "SHRP" and resid   53 and name HD13)
assign (segid "SHRP" and resid   61 and name   HN) (segid "SHRP" and resid   62 and name   HN) 2.890 1.044 1.044 weight 1.000 ! spec=nnoesy, no=504, id=409, vol=4.206200e-01
assign (segid "SHRP" and resid   62 and name   HN) (segid "SHRP" and resid   62 and name   HA) 2.718 0.924 0.924 weight 1.000 ! spec=nnoesy, no=506, id=410, vol=6.074200e-01
assign (segid "SHRP" and resid   62 and name   HN) (segid "SHRP" and resid   62 and name  HB2) 2.536 0.804 0.804 weight 1.000 ! spec=nnoesy, no=508, id=412, vol=9.207900e-01
    or (segid "SHRP" and resid   62 and name   HN) (segid "SHRP" and resid   62 and name  HB1)
assign (segid "SHRP" and resid   62 and name   HN) (segid "SHRP" and resid   61 and name  HB2) 2.697 0.909 0.909 weight 1.000 ! spec=nnoesy, no=509, id=413, vol=6.369200e-01
    or (segid "SHRP" and resid   62 and name   HN) (segid "SHRP" and resid   61 and name  HB1)
    or (segid "SHRP" and resid   62 and name   HN) (segid "SHRP" and resid   61 and name  HB3)
assign (segid "SHRP" and resid   55 and name   HN) (segid "SHRP" and resid   54 and name   HA) 2.657 0.883 0.883 weight 1.000 ! spec=nnoesy, no=511, id=414, vol=6.963400e-01
assign (segid "SHRP" and resid   31 and name   HN) (segid "SHRP" and resid   32 and name   HN) 2.397 0.718 0.718 weight 1.000 ! spec=nnoesy, no=515, id=417, vol=1.292460e+00
assign (segid "SHRP" and resid   32 and name   HN) (segid "SHRP" and resid   32 and name  HA2) 2.125 0.564 0.564 weight 1.000 ! spec=nnoesy, no=517, id=419, vol=2.662080e+00
assign (segid "SHRP" and resid   32 and name   HN) (segid "SHRP" and resid   33 and name  HB2) 3.509 1.539 1.539 weight 1.000 ! spec=nnoesy, no=519, id=421, vol=1.312900e-01
    or (segid "SHRP" and resid   32 and name   HN) (segid "SHRP" and resid   33 and name  HB1)
assign (segid "SHRP" and resid   32 and name   HN) (segid "SHRP" and resid   30 and name  HB2) 3.389 1.436 1.436 weight 1.000 ! spec=nnoesy, no=520, id=422, vol=1.616200e-01
    or (segid "SHRP" and resid   32 and name   HN) (segid "SHRP" and resid   30 and name  HB1)
assign (segid "SHRP" and resid   32 and name   HN) (segid "SHRP" and resid   31 and name   HB) 2.602 0.846 0.846 weight 1.000 ! spec=nnoesy, no=521, id=423, vol=7.893600e-01
assign (segid "SHRP" and resid   32 and name   HN) (segid "SHRP" and resid   28 and name  HG2) 3.324 1.381 1.381 weight 1.000 ! spec=nnoesy, no=522, id=424, vol=1.815900e-01
    or (segid "SHRP" and resid   32 and name   HN) (segid "SHRP" and resid   28 and name  HG1)

assign (resid 1 and name HA) (resid 4 and name HN) 5.500 3.7 0.0 
assign (resid 2 and name HA) (resid 5 and name HN) 5.500 3.7 0.0
assign (resid 3 and name HA) (resid 6 and name HN) 5.500 3.7 0.0
assign (resid 4 and name HA) (resid 7 and name HN) 5.500 3.7 0.0
assign (resid 6 and name HA) (resid 9 and name HN) 5.500 3.7 0.0
assign (resid 7 and name HA) (resid 10 and name HN) 5.500 3.7 0.0
assign (resid 8 and name HA) (resid 11 and name HN) 5.500 3.7 0.0
assign (resid 10 and name HA) (resid 13 and name HN) 5.500 3.7 0.0
assign (resid 11 and name HA) (resid 14 and name HN) 5.500 3.7 0.0
assign (resid 16 and name HA) (resid 19 and name HN) 5.500 3.7 0.0
assign (resid 17 and name HA) (resid 20 and name HN) 5.500 3.7 0.0
assign (resid 19 and name HA) (resid 22 and name HN) 5.500 3.7 0.0
assign (resid 21 and name HA) (resid 24 and name HN) 5.500 3.7 0.0
assign (resid 22 and name HA) (resid 25 and name HN) 5.500 3.7 0.0
assign (resid 35 and name HA) (resid 38 and name HN) 5.500 3.7 0.0
assign (resid 36 and name HA) (resid 39 and name HN) 5.500 3.7 0.0
assign (resid 38 and name HA) (resid 41 and name HN) 5.500 3.7 0.0
assign (resid 40 and name HA) (resid 43 and name HN) 5.500 3.7 0.0
assign (resid 41 and name HA) (resid 44 and name HN) 5.500 3.7 0.0
assign (resid 43 and name HA) (resid 46 and name HN) 5.500 3.7 0.0
assign (resid 47 and name HA) (resid 50 and name HN) 5.500 3.7 0.0
assign (resid 50 and name HA) (resid 53 and name HN) 5.500 3.7 0.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT2      MET   1 -11.708   3.033   4.160
    2    H2   MET   1           HT1      MET   1 -10.222   2.230   4.100
    3    H3   MET   1           HT3      MET   1 -10.400   3.742   3.364
    4    HB3  MET   1           HB1      MET   1 -10.145   0.779   1.164
    5    HG3  MET   1           HG1      MET   1 -10.738   2.467  -0.441
    6    HA   MET   1           HA       MET   1 -11.886   2.868   1.741
    7    HB2  MET   1           HB2      MET   1  -9.176   1.926   2.086
    8    HG2  MET   1           HG2      MET   1  -8.975   2.426  -0.252
    9    HE2  MET   1           HE1      MET   1  -8.015   5.257   1.792
   10    HE1  MET   1           HE2      MET   1  -8.373   3.578   2.196
   11    HE3  MET   1           HE3      MET   1  -9.354   4.876   2.875
   12    HA   ASP   2           HA       ASP   2 -13.764  -0.897   2.703
   13    HB2  ASP   2           HB2      ASP   2 -15.011   0.102   0.833
   14    H    ASP   2           HN       ASP   2 -12.191   0.483   0.653
   15    HB3  ASP   2           HB1      ASP   2 -14.115  -0.910  -0.292
   16    HA   GLN   3           HA       GLN   3 -12.218  -4.795   1.124
   17    HB2  GLN   3           HB2      GLN   3 -14.179  -5.081  -0.346
   18    HG2  GLN   3           HG2      GLN   3 -11.753  -6.510  -1.409
   19   HE21  GLN   3          HE21      GLN   3 -14.740  -7.854  -0.253
   20   HE22  GLN   3          HE22      GLN   3 -15.302  -8.439  -1.778
   21    H    GLN   3           HN       GLN   3 -13.447  -2.575  -0.231
   22    HB3  GLN   3           HB1      GLN   3 -13.183  -4.581  -1.698
   23    HG3  GLN   3           HG1      GLN   3 -12.677  -6.998   0.011
   24    HA   GLU   4           HA       GLU   4  -9.086  -3.745  -2.097
   25    HB2  GLU   4           HB2      GLU   4  -8.089  -1.679  -2.814
   26    HG2  GLU   4           HG2      GLU   4  -8.878   0.496  -2.109
   27    H    GLU   4           HN       GLU   4 -11.052  -2.214  -0.728
   28    HB3  GLU   4           HB1      GLU   4  -9.833  -1.539  -2.949
   29    HG3  GLU   4           HG1      GLU   4  -9.878  -0.249  -0.867
   30    HA   THR   5           HA       THR   5  -6.526  -2.303   1.602
   31    HB   THR   5           HB       THR   5  -8.616  -3.339   3.532
   32    HG1  THR   5           HG1      THR   5  -7.813  -0.728   3.774
   33   HG21  THR   5          HG21      THR   5  -5.873  -2.160   3.956
   34   HG23  THR   5          HG22      THR   5  -6.439  -3.766   4.418
   35   HG22  THR   5          HG23      THR   5  -7.070  -2.339   5.240
   36    H    THR   5           HN       THR   5  -9.284  -2.664   1.148
   37    HA   ARG   6           HA       ARG   6  -6.590  -6.874   3.020
   38    HB2  ARG   6           HB2      ARG   6  -8.165  -8.686   2.208
   39    HG2  ARG   6           HG2      ARG   6  -9.830  -6.289   1.525
   40    HD2  ARG   6           HD2      ARG   6 -11.176  -7.660   2.996
   41    HE   ARG   6           HE       ARG   6  -9.957  -9.892   1.673
   42   HH11  ARG   6          HH11      ARG   6 -12.799  -8.823   3.388
   43   HH12  ARG   6          HH12      ARG   6 -13.229 -10.413   3.923
   44   HH21  ARG   6          HH21      ARG   6 -10.519 -11.986   2.375
   45   HH22  ARG   6          HH22      ARG   6 -11.934 -12.210   3.349
   46    H    ARG   6           HN       ARG   6  -8.521  -5.110   2.588
   47    HB3  ARG   6           HB1      ARG   6  -8.780  -7.592   3.435
   48    HG3  ARG   6           HG1      ARG   6  -9.451  -7.686   0.515
   49    HD3  ARG   6           HD1      ARG   6 -11.725  -7.854   1.330
   50    HA   ASP   7           HA       ASP   7  -6.150  -8.483  -1.359
   51    HB2  ASP   7           HB2      ASP   7  -8.525  -7.261  -2.170
   52    H    ASP   7           HN       ASP   7  -8.101  -6.795  -0.302
   53    HB3  ASP   7           HB1      ASP   7  -7.312  -6.778  -3.345
   54    HA   GLN   8           HA       GLN   8  -4.014  -4.871  -3.231
   55    HB2  GLN   8           HB2      GLN   8  -5.571  -2.515  -2.186
   56    HG2  GLN   8           HG2      GLN   8  -7.020  -4.002  -3.528
   57   HE21  GLN   8          HE21      GLN   8  -4.025  -3.145  -5.101
   58   HE22  GLN   8          HE22      GLN   8  -4.205  -4.205  -6.453
   59    H    GLN   8           HN       GLN   8  -6.414  -4.931  -1.608
   60    HB3  GLN   8           HB1      GLN   8  -4.399  -2.524  -3.495
   61    HG3  GLN   8           HG1      GLN   8  -6.736  -2.429  -4.272
   62    HA   MET   9           HA       MET   9  -2.513  -2.217   0.478
   63    HB2  MET   9           HB2      MET   9  -4.671  -2.073   1.835
   64    HG2  MET   9           HG2      MET   9  -2.482  -1.071   2.544
   65    HE3  MET   9           HE1      MET   9  -0.116  -1.149   3.392
   66    HE2  MET   9           HE2      MET   9   0.344  -2.066   4.826
   67    HE1  MET   9           HE3      MET   9  -0.944  -0.864   4.924
   68    H    MET   9           HN       MET   9  -4.953  -3.300  -0.143
   69    HB3  MET   9           HB1      MET   9  -4.155  -3.566   2.608
   70    HG3  MET   9           HG1      MET   9  -3.603  -1.463   3.844
   71    HA   LYS  10           HA       LYS  10  -1.052  -6.213   2.528
   72    HB2  LYS  10           HB2      LYS  10  -3.537  -7.503   2.001
   73    HG2  LYS  10           HG2      LYS  10  -1.334  -8.677   3.646
   74    HD2  LYS  10           HD2      LYS  10  -3.528  -9.841   3.385
   75    HE2  LYS  10           HE2      LYS  10  -4.579  -7.485   4.947
   76    HZ1  LYS  10           HZ1      LYS  10  -5.957  -9.884   3.869
   77    HZ3  LYS  10           HZ2      LYS  10  -6.709  -8.582   4.646
   78    HZ2  LYS  10           HZ3      LYS  10  -5.643  -9.577   5.504
   79    H    LYS  10           HN       LYS  10  -3.533  -5.556   1.356
   80    HB3  LYS  10           HB1      LYS  10  -2.234  -8.567   1.497
   81    HG3  LYS  10           HG1      LYS  10  -2.219  -7.247   4.186
   82    HD3  LYS  10           HD1      LYS  10  -3.122  -9.413   5.049
   83    HE3  LYS  10           HE1      LYS  10  -4.914  -7.791   3.243
   84    HA   ASN  11           HA       ASN  11   0.111  -8.165  -1.547
   85    HB2  ASN  11           HB2      ASN  11  -2.065  -8.735  -2.535
   86   HD21  ASN  11          HD21      ASN  11   0.795  -8.943  -3.053
   87   HD22  ASN  11          HD22      ASN  11   0.957  -9.209  -4.753
   88    H    ASN  11           HN       ASN  11  -2.287  -6.779  -0.763
   89    HB3  ASN  11           HB1      ASN  11  -2.181  -7.121  -3.226
   90    HA   ALA  12           HA       ALA  12   0.694  -4.248  -4.348
   91    HB3  ALA  12           HB1      ALA  12  -1.425  -3.061  -4.148
   92    HB2  ALA  12           HB2      ALA  12  -0.068  -1.960  -3.908
   93    HB1  ALA  12           HB3      ALA  12  -0.991  -2.537  -2.521
   94    H    ALA  12           HN       ALA  12  -1.351  -5.140  -2.813
   95    HA   ALA  13           HA       ALA  13   2.757  -2.184  -0.532
   96    HB1  ALA  13           HB1      ALA  13   2.614  -2.761   1.828
   97    HB2  ALA  13           HB2      ALA  13   1.413  -4.000   1.469
   98    HB3  ALA  13           HB3      ALA  13   1.029  -2.298   1.210
   99    H    ALA  13           HN       ALA  13   0.342  -3.528  -0.879
  100    HA   ALA  14           HA       ALA  14   4.460  -6.661   0.631
  101    HB1  ALA  14           HB1      ALA  14   2.564  -7.866  -1.370
  102    HB3  ALA  14           HB2      ALA  14   2.442  -8.001   0.384
  103    HB2  ALA  14           HB3      ALA  14   3.806  -8.727  -0.464
  104    H    ALA  14           HN       ALA  14   2.084  -5.623   0.121
  105    HA   GLU  15           HA       GLU  15   5.880  -6.990  -3.888
  106    HB2  GLU  15           HB2      GLU  15   3.538  -5.455  -4.979
  107    HG2  GLU  15           HG2      GLU  15   3.313  -7.894  -4.466
  108    H    GLU  15           HN       GLU  15   3.418  -6.234  -2.818
  109    HB3  GLU  15           HB1      GLU  15   4.939  -5.874  -5.958
  110    HG3  GLU  15           HG1      GLU  15   2.969  -7.424  -6.120
  111    HA   ALA  16           HA       ALA  16   6.802  -2.431  -4.000
  112    HB2  ALA  16           HB1      ALA  16   6.019  -0.539  -2.741
  113    HB1  ALA  16           HB2      ALA  16   5.205  -1.591  -1.584
  114    HB3  ALA  16           HB3      ALA  16   4.618  -1.485  -3.244
  115    H    ALA  16           HN       ALA  16   5.041  -4.067  -2.328
  116    HA   LYS  17           HA       LYS  17   8.847  -2.821   0.177
  117    HB2  LYS  17           HB2      LYS  17   6.988  -5.018   1.074
  118    HG2  LYS  17           HG2      LYS  17   6.328  -2.634   1.419
  119    HD2  LYS  17           HD2      LYS  17   8.730  -2.688   3.250
  120    HE2  LYS  17           HE2      LYS  17   6.574  -0.598   2.950
  121    HZ1  LYS  17           HZ1      LYS  17   9.004  -0.631   4.656
  122    HZ3  LYS  17           HZ2      LYS  17   7.780   0.533   4.719
  123    HZ2  LYS  17           HZ3      LYS  17   8.736   0.387   3.331
  124    H    LYS  17           HN       LYS  17   6.470  -3.970  -0.949
  125    HB3  LYS  17           HB1      LYS  17   8.480  -4.668   1.935
  126    HG3  LYS  17           HG1      LYS  17   6.446  -3.601   2.892
  127    HD3  LYS  17           HD1      LYS  17   8.494  -1.646   1.845
  128    HE3  LYS  17           HE1      LYS  17   6.817  -1.637   4.353
  129    HA   ASP  18           HA       ASP  18  10.481  -7.002  -1.031
  130    HB2  ASP  18           HB2      ASP  18   8.200  -7.643  -2.904
  131    H    ASP  18           HN       ASP  18   7.961  -5.715  -1.541
  132    HB3  ASP  18           HB1      ASP  18   9.679  -8.597  -2.851
  133    HA   ASN  19           HA       ASN  19  11.300  -5.395  -5.268
  134    HB2  ASN  19           HB2      ASN  19   9.034  -4.890  -6.103
  135   HD21  ASN  19          HD21      ASN  19  11.828  -4.909  -6.909
  136   HD22  ASN  19          HD22      ASN  19  11.941  -3.861  -8.278
  137    H    ASN  19           HN       ASN  19   9.267  -4.739  -3.234
  138    HB3  ASN  19           HB1      ASN  19   9.138  -3.283  -5.391
  139    HA   VAL  20           HA       VAL  20  12.660  -1.148  -4.228
  140    HB   VAL  20           HB       VAL  20  10.385   0.135  -2.758
  141    H    VAL  20           HN       VAL  20  10.093  -2.392  -3.822
  142    HA   HIS  21           HA       HIS  21  12.653  -1.209   0.327
  143    HB2  HIS  21           HB2      HIS  21  10.158  -1.883   0.774
  144    HD1  HIS  21           HD1      HIS  21  10.644  -3.447   3.675
  145    HD2  HIS  21           HD2      HIS  21  12.319   0.078   2.251
  146    HE1  HIS  21           HE1      HIS  21  11.355  -2.166   5.720
  147    HE2  HIS  21           HE2      HIS  21  12.426  -0.067   4.831
  148    H    HIS  21           HN       HIS  21  10.914  -2.594  -1.539
  149    HB3  HIS  21           HB1      HIS  21  10.867  -3.438   1.193
  150    HA   ASP  22           HA       ASP  22  14.099  -5.733   0.443
  151    HB2  ASP  22           HB2      ASP  22  12.861  -6.837  -1.396
  152    H    ASP  22           HN       ASP  22  12.339  -4.394  -1.268
  153    HB3  ASP  22           HB1      ASP  22  13.920  -6.046  -2.562
  154    HA   LYS  23           HA       LYS  23  17.676  -4.076  -2.267
  155    HB2  LYS  23           HB2      LYS  23  17.700  -2.063  -3.743
  156    HG2  LYS  23           HG2      LYS  23  14.706  -2.300  -3.513
  157    HD2  LYS  23           HD2      LYS  23  15.753  -1.934  -5.854
  158    HE2  LYS  23           HE2      LYS  23  16.078   0.818  -4.669
  159    HZ3  LYS  23           HZ1      LYS  23  17.000   1.349  -6.836
  160    HZ2  LYS  23           HZ2      LYS  23  15.397   0.828  -6.984
  161    HZ1  LYS  23           HZ3      LYS  23  16.665  -0.214  -7.391
  162    H    LYS  23           HN       LYS  23  15.062  -4.177  -2.781
  163    HB3  LYS  23           HB1      LYS  23  16.753  -3.405  -4.372
  164    HG3  LYS  23           HG1      LYS  23  15.697  -0.920  -3.034
  165    HD3  LYS  23           HD1      LYS  23  14.460  -0.861  -5.311
  166    HE3  LYS  23           HE1      LYS  23  17.407  -0.263  -5.089
  167    HA   ILE  24           HA       ILE  24  17.166   0.147  -0.120
  168    HB   ILE  24           HB       ILE  24  14.356  -0.448   0.767
  169   HD12  ILE  24          HD11      ILE  24  13.443   2.598   0.290
  170   HD11  ILE  24          HD12      ILE  24  12.703   1.050  -0.125
  171   HD13  ILE  24          HD13      ILE  24  13.109   2.197  -1.397
  172    H    ILE  24           HN       ILE  24  15.285  -1.715  -0.993
  173    HA   GLN  25           HA       GLN  25  16.530  -1.658   4.382
  174    HB2  GLN  25           HB2      GLN  25  16.135  -4.452   3.294
  175    HG2  GLN  25           HG2      GLN  25  14.141  -2.486   4.319
  176   HE21  GLN  25          HE21      GLN  25  15.187  -4.511   6.134
  177   HE22  GLN  25          HE22      GLN  25  13.850  -5.522   6.550
  178    H    GLN  25           HN       GLN  25  15.300  -2.037   2.051
  179    HB3  GLN  25           HB1      GLN  25  16.179  -3.983   4.986
  180    HG3  GLN  25           HG1      GLN  25  14.022  -3.611   2.965
  181    HA   GLU  26           HA       GLU  26  20.180  -4.541   3.131
  182    HB2  GLU  26           HB2      GLU  26  19.240  -5.639   1.125
  183    HG2  GLU  26           HG2      GLU  26  21.998  -4.523   0.666
  184    H    GLU  26           HN       GLU  26  17.702  -3.962   2.082
  185    HB3  GLU  26           HB1      GLU  26  19.611  -4.203   0.181
  186    HG3  GLU  26           HG1      GLU  26  21.601  -5.992   1.557
  187    HA   LEU  27           HA       LEU  27  22.311  -0.899   1.181
  188    HB2  LEU  27           HB2      LEU  27  20.433  -0.136  -1.024
  189    HG   LEU  27           HG       LEU  27  21.086  -2.622  -1.087
  190   HD12  LEU  27          HD11      LEU  27  21.995  -0.970  -3.427
  191   HD11  LEU  27          HD12      LEU  27  20.299  -1.155  -2.983
  192   HD13  LEU  27          HD13      LEU  27  21.250  -2.569  -3.440
  193   HD23  LEU  27          HD21      LEU  27  23.746  -1.408  -1.832
  194   HD22  LEU  27          HD22      LEU  27  23.316  -3.118  -1.890
  195   HD21  LEU  27          HD23      LEU  27  23.413  -2.286  -0.339
  196    H    LEU  27           HN       LEU  27  19.752  -2.128   0.526
  197    HB3  LEU  27           HB1      LEU  27  22.151   0.184  -0.909
  198    HA   LYS  28           HA       LYS  28  19.726   3.023   1.230
  199    HB2  LYS  28           HB2      LYS  28  17.186   1.810   0.205
  200    HG2  LYS  28           HG2      LYS  28  17.988   3.441  -1.738
  201    HD2  LYS  28           HD2      LYS  28  18.931   0.601  -1.397
  202    HE2  LYS  28           HE2      LYS  28  19.920   1.702  -3.334
  203    HZ3  LYS  28           HZ1      LYS  28  18.494   2.512  -5.111
  204    HZ2  LYS  28           HZ2      LYS  28  18.268   3.418  -3.700
  205    HZ1  LYS  28           HZ3      LYS  28  17.121   2.261  -4.153
  206    H    LYS  28           HN       LYS  28  19.047   0.310   0.539
  207    HB3  LYS  28           HB1      LYS  28  17.466   3.516   0.439
  208    HG3  LYS  28           HG1      LYS  28  19.561   2.925  -1.122
  209    HD3  LYS  28           HD1      LYS  28  17.319   1.081  -1.930
  210    HE3  LYS  28           HE1      LYS  28  18.741   0.488  -3.828
  211    HA   ASP  29           HA       ASP  29  16.303   1.148   4.372
  212    HB2  ASP  29           HB2      ASP  29  17.814  -0.703   4.999
  213    H    ASP  29           HN       ASP  29  18.603   0.526   3.165
  214    HB3  ASP  29           HB1      ASP  29  18.793   0.436   5.911
  215    HA   ASP  30           HA       ASP  30  17.893   4.568   6.991
  216    HB2  ASP  30           HB2      ASP  30  20.342   4.416   6.793
  217    H    ASP  30           HN       ASP  30  19.021   3.360   4.574
  218    HB3  ASP  30           HB1      ASP  30  20.285   5.417   5.347
  219    HA   VAL  31           HA       VAL  31  17.007   8.101   4.135
  220    HB   VAL  31           HB       VAL  31  19.235   8.837   3.672
  221    H    VAL  31           HN       VAL  31  19.136   6.158   4.131
  222    HA3  GLY  32           HA2      GLY  32  16.326   6.454  -0.356
  223    H    GLY  32           HN       GLY  32  18.229   6.008   1.629
  224    HA2  GLY  32           HA1      GLY  32  17.193   4.941  -0.184
  225    HA   ASN  33           HA       ASN  33  13.942   2.985   2.198
  226    HB2  ASN  33           HB2      ASN  33  15.059   3.739   4.388
  227   HD21  ASN  33          HD21      ASN  33  12.906   3.998   6.337
  228   HD22  ASN  33          HD22      ASN  33  12.066   2.489   6.321
  229    H    ASN  33           HN       ASN  33  15.897   4.866   2.602
  230    HB3  ASN  33           HB1      ASN  33  13.749   4.915   4.485
  231    HA   LYS  34           HA       LYS  34  10.763   6.280   1.835
  232    HB2  LYS  34           HB2      LYS  34  12.601   8.231   1.507
  233    HG2  LYS  34           HG2      LYS  34  10.459   8.665   2.512
  234    HD2  LYS  34           HD2      LYS  34   9.299   8.701  -0.266
  235    HE2  LYS  34           HE2      LYS  34   7.166   8.867   0.900
  236    HZ3  LYS  34           HZ1      LYS  34   7.414  11.106   1.794
  237    HZ2  LYS  34           HZ2      LYS  34   8.242  10.938   0.329
  238    HZ1  LYS  34           HZ3      LYS  34   9.098  10.940   1.788
  239    H    LYS  34           HN       LYS  34  13.576   6.145   1.190
  240    HB3  LYS  34           HB1      LYS  34  11.886   8.204  -0.097
  241    HG3  LYS  34           HG1      LYS  34  10.770   9.849   1.243
  242    HD3  LYS  34           HD1      LYS  34   9.094   7.370   0.875
  243    HE3  LYS  34           HE1      LYS  34   8.005   8.874   2.450
  244    HA   ALA  35           HA       ALA  35  11.258   5.883  -3.084
  245    HB3  ALA  35           HB1      ALA  35  12.593   4.001  -4.032
  246    HB2  ALA  35           HB2      ALA  35  13.309   3.779  -2.436
  247    HB1  ALA  35           HB3      ALA  35  13.556   5.289  -3.309
  248    H    ALA  35           HN       ALA  35  12.861   5.809  -0.936
  249    HA   ALA  36           HA       ALA  36   9.382   1.651  -2.090
  250    HB3  ALA  36           HB1      ALA  36   9.495   1.589   0.898
  251    HB1  ALA  36           HB2      ALA  36  10.923   1.109  -0.014
  252    HB2  ALA  36           HB3      ALA  36   9.397   0.244  -0.246
  253    H    ALA  36           HN       ALA  36  11.187   3.318  -0.631
  254    HA   GLU  37           HA       GLU  37   6.133   3.556   1.022
  255    HB2  GLU  37           HB2      GLU  37   7.821   6.005   1.526
  256    HG2  GLU  37           HG2      GLU  37   8.874   4.058   2.604
  257    H    GLU  37           HN       GLU  37   8.782   3.433   0.963
  258    HB3  GLU  37           HB1      GLU  37   6.295   5.585   2.292
  259    HG3  GLU  37           HG1      GLU  37   8.229   5.223   3.759
  260    HA   VAL  38           HA       VAL  38   6.101   7.043  -2.192
  261    HB   VAL  38           HB       VAL  38   8.445   5.906  -3.730
  262    H    VAL  38           HN       VAL  38   8.037   5.069  -1.438
  263    HA   ARG  39           HA       ARG  39   5.418   3.711  -5.682
  264    HB2  ARG  39           HB2      ARG  39   7.240   2.081  -4.885
  265    HG2  ARG  39           HG2      ARG  39   5.542   1.693  -6.803
  266    HD2  ARG  39           HD2      ARG  39   4.592  -0.313  -4.764
  267    HE   ARG  39           HE       ARG  39   4.456  -0.426  -7.590
  268   HH11  ARG  39          HH11      ARG  39   2.564  -0.992  -4.717
  269   HH12  ARG  39          HH12      ARG  39   1.543  -2.171  -5.469
  270   HH21  ARG  39          HH21      ARG  39   3.116  -1.977  -8.584
  271   HH22  ARG  39          HH22      ARG  39   1.857  -2.732  -7.665
  272    H    ARG  39           HN       ARG  39   7.164   3.948  -3.595
  273    HB3  ARG  39           HB1      ARG  39   5.995   1.376  -3.866
  274    HG3  ARG  39           HG1      ARG  39   6.482   0.338  -6.178
  275    HD3  ARG  39           HD1      ARG  39   3.654   1.038  -5.395
  276    HA   ASP  40           HA       ASP  40   2.106   2.091  -2.738
  277    HB2  ASP  40           HB2      ASP  40   3.389   1.376  -0.779
  278    H    ASP  40           HN       ASP  40   4.756   3.071  -2.267
  279    HB3  ASP  40           HB1      ASP  40   3.428   3.034  -0.185
  280    HA   ALA  41           HA       ALA  41   1.338   6.648  -1.339
  281    HB1  ALA  41           HB1      ALA  41   3.433   7.645  -3.263
  282    HB2  ALA  41           HB2      ALA  41   3.632   7.534  -1.514
  283    HB3  ALA  41           HB3      ALA  41   2.427   8.626  -2.197
  284    H    ALA  41           HN       ALA  41   3.518   5.213  -2.365
  285    HA   VAL  42           HA       VAL  42   0.132   7.584  -5.868
  286    HB   VAL  42           HB       VAL  42   0.762   6.237  -7.943
  287    H    VAL  42           HN       VAL  42   2.369   6.313  -4.741
  288    HA   SER  43           HA       SER  43  -1.417   3.028  -6.506
  289    HB2  SER  43           HB2      SER  43   0.468   1.705  -5.622
  290    HG   SER  43           HG       SER  43  -1.098   0.309  -4.188
  291    H    SER  43           HN       SER  43   0.825   4.181  -5.323
  292    HB3  SER  43           HB1      SER  43  -0.016   2.117  -3.978
  293    HA   SER  44           HA       SER  44  -3.460   3.490  -2.098
  294    HB2  SER  44           HB2      SER  44  -1.609   4.314  -0.739
  295    HG   SER  44           HG       SER  44  -2.868   5.357   0.642
  296    H    SER  44           HN       SER  44  -0.990   4.011  -3.140
  297    HB3  SER  44           HB1      SER  44  -1.717   5.894  -1.512
  298    HA   THR  45           HA       THR  45  -4.840   7.870  -3.642
  299    HB   THR  45           HB       THR  45  -3.133   7.683  -6.135
  300    HG1  THR  45           HG1      THR  45  -1.700   8.597  -4.881
  301   HG22  THR  45          HG21      THR  45  -3.926   9.973  -6.568
  302   HG21  THR  45          HG22      THR  45  -4.996   9.859  -5.171
  303   HG23  THR  45          HG23      THR  45  -5.252   8.810  -6.565
  304    H    THR  45           HN       THR  45  -2.536   6.338  -4.006
  305    HA   VAL  46           HA       VAL  46  -6.629   5.499  -7.320
  306    HB   VAL  46           HB       VAL  46  -4.661   3.203  -7.207
  307    H    VAL  46           HN       VAL  46  -4.150   5.257  -5.865
  308    HA   GLU  47           HA       GLU  47  -7.540   1.423  -4.810
  309    HB2  GLU  47           HB2      GLU  47  -5.074   1.976  -3.304
  310    HG2  GLU  47           HG2      GLU  47  -4.891  -0.427  -3.269
  311    H    GLU  47           HN       GLU  47  -5.335   2.894  -5.321
  312    HB3  GLU  47           HB1      GLU  47  -6.390   1.266  -2.384
  313    HG3  GLU  47           HG1      GLU  47  -6.524  -0.583  -3.918
  314    HA   SER  48           HA       SER  48  -8.960   4.373  -1.538
  315    HB2  SER  48           HB2      SER  48  -7.648   6.801  -2.780
  316    HG   SER  48           HG       SER  48  -6.877   6.730  -0.419
  317    H    SER  48           HN       SER  48  -7.146   4.659  -3.781
  318    HB3  SER  48           HB1      SER  48  -8.769   6.893  -1.422
  319    HA   ILE  49           HA       ILE  49 -11.697   6.864  -4.477
  320    HB   ILE  49           HB       ILE  49 -11.414   7.300  -6.964
  321   HD11  ILE  49          HD11      ILE  49 -10.347   5.975  -8.645
  322   HD13  ILE  49          HD12      ILE  49  -9.881   4.799  -7.416
  323   HD12  ILE  49          HD13      ILE  49  -8.662   5.477  -8.493
  324    H    ILE  49           HN       ILE  49  -8.943   6.298  -4.506
  325    HA   LYS  50           HA       LYS  50 -12.007   3.048  -7.165
  326    HB2  LYS  50           HB2      LYS  50 -10.725   1.140  -7.403
  327    HG2  LYS  50           HG2      LYS  50  -9.503   1.463  -4.672
  328    HD2  LYS  50           HD2      LYS  50  -8.073   0.193  -6.096
  329    HE2  LYS  50           HE2      LYS  50 -10.518  -1.437  -6.773
  330    HZ3  LYS  50           HZ1      LYS  50  -7.709  -1.775  -7.679
  331    HZ2  LYS  50           HZ2      LYS  50  -9.038  -2.686  -8.195
  332    HZ1  LYS  50           HZ3      LYS  50  -8.512  -2.792  -6.592
  333    H    LYS  50           HN       LYS  50 -10.045   3.975  -5.317
  334    HB3  LYS  50           HB1      LYS  50  -9.518   2.317  -6.913
  335    HG3  LYS  50           HG1      LYS  50 -10.868   0.409  -5.016
  336    HD3  LYS  50           HD1      LYS  50  -8.907  -0.913  -4.994
  337    HE3  LYS  50           HE1      LYS  50  -9.650  -0.362  -7.867
  338    HA   ASP  51           HA       ASP  51 -13.725   0.482  -3.809
  339    HB2  ASP  51           HB2      ASP  51 -11.190  -0.006  -2.760
  340    H    ASP  51           HN       ASP  51 -11.186   1.821  -3.874
  341    HB3  ASP  51           HB1      ASP  51 -12.246   0.246  -1.363
  342    HA   LYS  52           HA       LYS  52 -14.470   3.254  -0.171
  343    HB2  LYS  52           HB2      LYS  52 -12.302   4.046   0.524
  344    HG2  LYS  52           HG2      LYS  52 -14.196   6.385   0.300
  345    HD2  LYS  52           HD2      LYS  52 -11.745   6.760   1.025
  346    HE2  LYS  52           HE2      LYS  52 -12.872   5.501   3.523
  347    HZ3  LYS  52           HZ1      LYS  52 -10.212   6.721   3.016
  348    HZ2  LYS  52           HZ2      LYS  52 -10.696   5.957   4.445
  349    HZ1  LYS  52           HZ3      LYS  52 -11.435   7.401   3.967
  350    H    LYS  52           HN       LYS  52 -12.286   3.188  -2.047
  351    HB3  LYS  52           HB1      LYS  52 -12.297   5.263  -0.747
  352    HG3  LYS  52           HG1      LYS  52 -14.220   5.162   1.571
  353    HD3  LYS  52           HD1      LYS  52 -13.043   7.418   2.025
  354    HE3  LYS  52           HE1      LYS  52 -11.600   4.814   2.514
  355    HA   LEU  53           HA       LEU  53 -15.890   6.699  -2.993
  356    HB2  LEU  53           HB2      LEU  53 -13.474   6.423  -4.663
  357    HG   LEU  53           HG       LEU  53 -13.547   8.847  -4.784
  358   HD12  LEU  53          HD11      LEU  53 -15.338  10.102  -3.665
  359   HD11  LEU  53          HD12      LEU  53 -16.188   8.587  -3.356
  360   HD13  LEU  53          HD13      LEU  53 -15.941   9.138  -5.013
  361   HD21  LEU  53          HD21      LEU  53 -14.105   7.783  -2.017
  362   HD23  LEU  53          HD22      LEU  53 -13.401   9.362  -2.371
  363   HD22  LEU  53          HD23      LEU  53 -12.533   7.890  -2.810
  364    H    LEU  53           HN       LEU  53 -13.539   5.014  -3.075
  365    HB3  LEU  53           HB1      LEU  53 -14.910   6.942  -5.512
  366    HA   SER  54           HA       SER  54 -16.283   2.958  -6.144
  367    HB2  SER  54           HB2      SER  54 -16.572   0.758  -5.358
  368    HG   SER  54           HG       SER  54 -17.806   0.556  -3.675
  369    H    SER  54           HN       SER  54 -15.131   3.604  -3.837
  370    HB3  SER  54           HB1      SER  54 -15.304   1.413  -4.321
  371    HA3  GLY  55           HA2      GLY  55 -20.194   4.944  -3.840
  372    H    GLY  55           HN       GLY  55 -18.016   3.732  -3.173
  373    HA2  GLY  55           HA1      GLY  55 -20.581   3.400  -4.583
  374    HA3  GLY  56           HA2      GLY  56 -20.666   2.564   0.008
  375    H    GLY  56           HN       GLY  56 -19.244   1.902  -2.411
  376    HA2  GLY  56           HA1      GLY  56 -21.336   1.178  -0.839
  377    HA   SER  57           HA       SER  57 -17.570  -0.291   1.215
  378    HB2  SER  57           HB2      SER  57 -16.216   0.724   3.027
  379    HG   SER  57           HG       SER  57 -17.402   1.984   4.261
  380    H    SER  57           HN       SER  57 -19.436   1.943   1.644
  381    HB3  SER  57           HB1      SER  57 -16.440   1.821   1.666
  382    HA   SER  58           HA       SER  58 -19.273  -2.074   4.836
  383    HB2  SER  58           HB2      SER  58 -21.243  -2.200   3.387
  384    HG   SER  58           HG       SER  58 -22.060  -4.189   4.183
  385    H    SER  58           HN       SER  58 -18.226  -2.123   2.102
  386    HB3  SER  58           HB1      SER  58 -20.554  -3.592   2.550
  387    HA   SER  59           HA       SER  59 -17.016  -6.002   3.985
  388    HB2  SER  59           HB2      SER  59 -16.566  -5.621   1.014
  389    HG   SER  59           HG       SER  59 -18.128  -7.472   1.090
  390    H    SER  59           HN       SER  59 -17.682  -3.752   2.229
  391    HB3  SER  59           HB1      SER  59 -16.147  -7.071   1.926
  392    HA   ARG  60           HA       ARG  60 -12.917  -5.815   5.491
  393    HB2  ARG  60           HB2      ARG  60 -12.410  -6.391   3.196
  394    HG2  ARG  60           HG2      ARG  60 -10.327  -5.124   2.867
  395    HD2  ARG  60           HD2      ARG  60 -10.867  -5.880   5.736
  396    HE   ARG  60           HE       ARG  60  -8.519  -4.841   4.686
  397   HH11  ARG  60          HH11      ARG  60  -9.553  -7.707   6.375
  398   HH12  ARG  60          HH12      ARG  60  -8.023  -7.960   7.146
  399   HH21  ARG  60          HH21      ARG  60  -6.503  -5.166   5.697
  400   HH22  ARG  60          HH22      ARG  60  -6.290  -6.516   6.762
  401    H    ARG  60           HN       ARG  60 -15.107  -6.117   4.965
  402    HB3  ARG  60           HB1      ARG  60 -12.686  -4.727   2.703
  403    HG3  ARG  60           HG1      ARG  60 -10.830  -4.016   4.145
  404    HD3  ARG  60           HD1      ARG  60 -10.342  -6.977   4.460
  405    HA   ALA  61           HA       ALA  61 -13.425  -0.968   4.746
  406    HB2  ALA  61           HB1      ALA  61 -15.786  -1.028   4.084
  407    HB3  ALA  61           HB2      ALA  61 -15.480   0.174   5.339
  408    HB1  ALA  61           HB3      ALA  61 -16.237  -1.363   5.756
  409    H    ALA  61           HN       ALA  61 -14.906  -3.252   4.487
  410    HA   SER  62           HA       SER  62 -13.992  -1.499   9.466
  411    HB2  SER  62           HB2      SER  62 -14.977  -3.730   9.632
  412    HG   SER  62           HG       SER  62 -13.539  -4.494  11.439
  413    H    SER  62           HN       SER  62 -14.134  -3.230   7.224
  414    HB3  SER  62           HB1      SER  62 -13.417  -4.464   9.260
  415    HA   SER  63           HA       SER  63  -9.489  -1.853   9.176
  416    HB2  SER  63           HB2      SER  63  -8.016  -2.908   7.519
  417    HG   SER  63           HG       SER  63  -9.107  -2.338   5.618
  418    H    SER  63           HN       SER  63 -11.682  -2.148   7.231
  419    HB3  SER  63           HB1      SER  63  -9.365  -3.969   7.925
  420    HA   TYR  64           HA       TYR  64  -8.635   1.693   6.729
  421    HB2  TYR  64           HB2      TYR  64  -8.180   2.544   9.598
  422    HD1  TYR  64           HD1      TYR  64 -10.118   1.676  10.669
  423    HD2  TYR  64           HD2      TYR  64 -10.494   3.848   7.030
  424    HE1  TYR  64           HE1      TYR  64 -12.553   1.786  10.994
  425    HE2  TYR  64           HE2      TYR  64 -12.929   3.965   7.345
  426    HH   TYR  64           HH       TYR  64 -14.691   2.752   8.536
  427    H    TYR  64           HN       TYR  64  -8.403  -0.004   9.127
  428    HB3  TYR  64           HB1      TYR  64  -8.310   3.624   8.214
  429    HA   THR  65           HA       THR  65  -4.248   1.878   7.009
  430    HB   THR  65           HB       THR  65  -3.223   0.462   5.323
  431    HG1  THR  65           HG1      THR  65  -4.271   0.300   3.492
  432   HG23  THR  65          HG21      THR  65  -4.074  -0.629   7.315
  433   HG22  THR  65          HG22      THR  65  -4.317  -1.675   5.915
  434   HG21  THR  65          HG23      THR  65  -5.674  -0.769   6.585
  435    H    THR  65           HN       THR  65  -6.819   1.843   5.588
  436    HA   LEU  66           HA       LEU  66  -3.647   3.729   2.538
  437    HB2  LEU  66           HB2      LEU  66  -6.623   3.693   2.207
  438    HG   LEU  66           HG       LEU  66  -4.457   2.831   0.304
  439   HD12  LEU  66          HD11      LEU  66  -6.492   1.218   1.829
  440   HD11  LEU  66          HD12      LEU  66  -4.759   1.266   2.151
  441   HD13  LEU  66          HD13      LEU  66  -5.355   0.590   0.636
  442   HD21  LEU  66          HD21      LEU  66  -7.334   3.369  -0.005
  443   HD23  LEU  66          HD22      LEU  66  -6.747   1.872  -0.722
  444   HD22  LEU  66          HD23      LEU  66  -6.036   3.413  -1.197
  445    H    LEU  66           HN       LEU  66  -5.554   2.148   3.692
  446    HB3  LEU  66           HB1      LEU  66  -5.635   4.780   1.260
  447    HA   GLU  67           HA       GLU  67  -5.268   7.567   4.430
  448    HB2  GLU  67           HB2      GLU  67  -8.195   6.821   4.494
  449    HG2  GLU  67           HG2      GLU  67  -7.238   7.000   2.236
  450    H    GLU  67           HN       GLU  67  -6.615   4.984   4.059
  451    HB3  GLU  67           HB1      GLU  67  -7.582   8.426   4.865
  452    HG3  GLU  67           HG1      GLU  67  -8.439   8.246   2.576

  No H/Q in entry =         452
  In of MODEL    2
    1    H1   MET   1           HT1      MET   1 -11.892   2.682   4.231
    2    H2   MET   1           HT3      MET   1 -10.357   1.993   4.050
    3    H3   MET   1           HT2      MET   1 -10.659   3.555   3.478
    4    HB3  MET   1           HB1      MET   1 -10.334   0.719   1.065
    5    HG3  MET   1           HG1      MET   1 -10.963   2.534  -0.409
    6    HA   MET   1           HA       MET   1 -12.063   2.786   1.772
    7    HB2  MET   1           HB2      MET   1  -9.364   1.812   2.048
    8    HG2  MET   1           HG2      MET   1  -9.203   2.409  -0.290
    9    HE1  MET   1           HE1      MET   1  -7.974   3.840   1.815
   10    HE3  MET   1           HE2      MET   1  -9.325   3.818   2.940
   11    HE2  MET   1           HE3      MET   1  -8.633   5.355   2.425

  No H/Q in entry =          11
  In of MODEL    2
    1    HA   ASP   2           HA       ASP   2 -14.098  -0.941   2.298
    2    HB2  ASP   2           HB2      ASP   2 -14.984   0.045   0.201
    3    H    ASP   2           HN       ASP   2 -12.354   0.523   0.491
    4    HB3  ASP   2           HB1      ASP   2 -13.938  -1.037  -0.714

  No H/Q in entry =           4
  In of MODEL    2
    1    HA   GLN   3           HA       GLN   3 -12.159  -4.784   1.247
    2    HB2  GLN   3           HB2      GLN   3 -12.582  -6.329  -0.561
    3    HG2  GLN   3           HG2      GLN   3 -13.700  -4.006  -2.109
    4   HE21  GLN   3          HE21      GLN   3 -14.561  -4.529  -4.111
    5   HE22  GLN   3          HE22      GLN   3 -15.075  -6.132  -4.502
    6    H    GLN   3           HN       GLN   3 -13.494  -2.814  -0.380
    7    HB3  GLN   3           HB1      GLN   3 -14.048  -5.436  -0.194
    8    HG3  GLN   3           HG1      GLN   3 -12.177  -4.820  -2.464

  No H/Q in entry =           8
  In of MODEL    2
    1    HA   GLU   4           HA       GLU   4  -9.145  -3.726  -2.177
    2    HB2  GLU   4           HB2      GLU   4  -8.091  -1.614  -2.705
    3    HG2  GLU   4           HG2      GLU   4  -8.873   0.507  -1.848
    4    H    GLU   4           HN       GLU   4 -11.109  -2.299  -0.755
    5    HB3  GLU   4           HB1      GLU   4  -9.829  -1.449  -2.854
    6    HG3  GLU   4           HG1      GLU   4  -9.897  -0.321  -0.680

  No H/Q in entry =           6
  In of MODEL    2
    1    HA   THR   5           HA       THR   5  -6.465  -2.534   1.558
    2    HB   THR   5           HB       THR   5  -8.636  -3.461   3.454
    3    HG1  THR   5           HG1      THR   5  -7.364  -0.921   3.180
    4   HG22  THR   5          HG21      THR   5  -7.036  -2.898   5.239
    5   HG21  THR   5          HG22      THR   5  -5.803  -2.571   4.020
    6   HG23  THR   5          HG23      THR   5  -6.438  -4.204   4.215
    7    H    THR   5           HN       THR   5  -9.224  -2.650   1.114

  No H/Q in entry =           7
  In of MODEL    2
    1    HA   ARG   6           HA       ARG   6  -6.902  -7.187   2.886
    2    HB2  ARG   6           HB2      ARG   6  -9.298  -7.602   1.099
    3    HG2  ARG   6           HG2      ARG   6  -9.321  -7.719   4.094
    4    HD2  ARG   6           HD2      ARG   6 -11.766  -7.354   3.702
    5    HE   ARG   6           HE       ARG   6 -10.384  -9.783   3.162
    6   HH11  ARG   6          HH11      ARG   6 -13.523  -8.282   3.000
    7   HH12  ARG   6          HH12      ARG   6 -14.388  -9.775   3.149
    8   HH21  ARG   6          HH21      ARG   6 -11.514 -11.755   3.362
    9   HH22  ARG   6          HH22      ARG   6 -13.246 -11.749   3.355
   10    H    ARG   6           HN       ARG   6  -8.611  -5.242   2.430
   11    HB3  ARG   6           HB1      ARG   6  -8.549  -8.792   2.157
   12    HG3  ARG   6           HG1      ARG   6  -9.717  -6.243   3.216
   13    HD3  ARG   6           HD1      ARG   6 -11.453  -7.547   1.975

  No H/Q in entry =          13
  In of MODEL    2
    1    HA   ASP   7           HA       ASP   7  -6.190  -8.633  -1.493
    2    HB2  ASP   7           HB2      ASP   7  -8.515  -7.253  -2.387
    3    H    ASP   7           HN       ASP   7  -8.167  -6.924  -0.500
    4    HB3  ASP   7           HB1      ASP   7  -7.245  -7.122  -3.588

  No H/Q in entry =           4
  In of MODEL    2
    1    HA   GLN   8           HA       GLN   8  -4.100  -4.995  -3.380
    2    HB2  GLN   8           HB2      GLN   8  -5.746  -2.695  -2.334
    3    HG2  GLN   8           HG2      GLN   8  -7.091  -4.185  -3.769
    4   HE21  GLN   8          HE21      GLN   8  -4.055  -3.218  -5.191
    5   HE22  GLN   8          HE22      GLN   8  -4.147  -4.254  -6.570
    6    H    GLN   8           HN       GLN   8  -6.512  -5.099  -1.782
    7    HB3  GLN   8           HB1      GLN   8  -4.522  -2.630  -3.593
    8    HG3  GLN   8           HG1      GLN   8  -6.819  -2.591  -4.470

  No H/Q in entry =           8
  In of MODEL    2
    1    HA   MET   9           HA       MET   9  -2.622  -2.333   0.314
    2    HB2  MET   9           HB2      MET   9  -4.726  -1.984   1.619
    3    HG2  MET   9           HG2      MET   9  -3.695  -1.736   3.795
    4    HE1  MET   9           HE1      MET   9  -1.312  -0.341   4.514
    5    HE3  MET   9           HE2      MET   9  -0.276   0.399   3.292
    6    HE2  MET   9           HE3      MET   9  -0.268  -1.352   3.513
    7    H    MET   9           HN       MET   9  -5.073  -3.378  -0.324
    8    HB3  MET   9           HB1      MET   9  -4.461  -3.553   2.369
    9    HG3  MET   9           HG1      MET   9  -2.363  -2.784   3.306

  No H/Q in entry =           9
  In of MODEL    2
    1    HA   LYS  10           HA       LYS  10  -1.306  -6.321   2.460
    2    HB2  LYS  10           HB2      LYS  10  -3.395  -8.097   1.206
    3    HG2  LYS  10           HG2      LYS  10  -2.949  -7.376   4.096
    4    HD2  LYS  10           HD2      LYS  10  -5.116  -8.539   4.415
    5    HE2  LYS  10           HE2      LYS  10  -2.977 -10.266   3.178
    6    HZ2  LYS  10           HZ1      LYS  10  -3.847 -11.969   4.641
    7    HZ1  LYS  10           HZ2      LYS  10  -5.052 -11.446   3.575
    8    HZ3  LYS  10           HZ3      LYS  10  -5.064 -10.926   5.184
    9    H    LYS  10           HN       LYS  10  -3.734  -5.655   1.177
   10    HB3  LYS  10           HB1      LYS  10  -2.084  -8.667   2.230
   11    HG3  LYS  10           HG1      LYS  10  -4.239  -6.739   3.075
   12    HD3  LYS  10           HD1      LYS  10  -5.047  -9.060   2.730
   13    HE3  LYS  10           HE1      LYS  10  -3.003  -9.714   4.851

  No H/Q in entry =          13
  In of MODEL    2
    1    HA   ASN  11           HA       ASN  11   0.017  -8.227  -1.573
    2    HB2  ASN  11           HB2      ASN  11  -2.357  -8.549  -2.567
    3   HD21  ASN  11          HD21      ASN  11   0.879  -7.885  -3.708
    4   HD22  ASN  11          HD22      ASN  11   0.965  -9.205  -4.816
    5    H    ASN  11           HN       ASN  11  -2.391  -6.774  -0.888
    6    HB3  ASN  11           HB1      ASN  11  -1.966  -7.153  -3.564

  No H/Q in entry =           6
  In of MODEL    2
    1    HA   ALA  12           HA       ALA  12   0.659  -4.333  -4.401
    2    HB2  ALA  12           HB1      ALA  12  -0.120  -2.051  -4.023
    3    HB1  ALA  12           HB2      ALA  12  -1.044  -2.589  -2.620
    4    HB3  ALA  12           HB3      ALA  12  -1.480  -3.154  -4.233
    5    H    ALA  12           HN       ALA  12  -1.419  -5.219  -2.907

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   ALA  13           HA       ALA  13   2.626  -2.252  -0.541
    2    HB3  ALA  13           HB1      ALA  13   0.849  -2.389   1.155
    3    HB1  ALA  13           HB2      ALA  13   2.426  -2.821   1.812
    4    HB2  ALA  13           HB3      ALA  13   1.256  -4.083   1.428
    5    H    ALA  13           HN       ALA  13   0.228  -3.605  -0.946

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   ALA  14           HA       ALA  14   4.325  -6.723   0.656
    2    HB1  ALA  14           HB1      ALA  14   2.499  -7.953  -1.392
    3    HB3  ALA  14           HB2      ALA  14   2.286  -8.045   0.355
    4    HB2  ALA  14           HB3      ALA  14   3.688  -8.798  -0.403
    5    H    ALA  14           HN       ALA  14   1.958  -5.694   0.088

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   GLU  15           HA       GLU  15   5.840  -7.015  -3.825
    2    HB2  GLU  15           HB2      GLU  15   3.522  -5.483  -4.967
    3    HG2  GLU  15           HG2      GLU  15   3.309  -7.932  -4.445
    4    H    GLU  15           HN       GLU  15   3.360  -6.224  -2.804
    5    HB3  GLU  15           HB1      GLU  15   4.941  -5.907  -5.918
    6    HG3  GLU  15           HG1      GLU  15   2.956  -7.451  -6.093

  No H/Q in entry =           6
  In of MODEL    2
    1    HA   ALA  16           HA       ALA  16   6.776  -2.459  -3.964
    2    HB1  ALA  16           HB1      ALA  16   5.190  -1.583  -1.555
    3    HB3  ALA  16           HB2      ALA  16   4.588  -1.500  -3.211
    4    HB2  ALA  16           HB3      ALA  16   5.999  -0.551  -2.736
    5    H    ALA  16           HN       ALA  16   4.980  -4.068  -2.305

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   LYS  17           HA       LYS  17   8.793  -2.858   0.226
    2    HB2  LYS  17           HB2      LYS  17   6.915  -5.044   1.106
    3    HG2  LYS  17           HG2      LYS  17   6.263  -2.661   1.446
    4    HD2  LYS  17           HD2      LYS  17   8.673  -2.716   3.267
    5    HE2  LYS  17           HE2      LYS  17   7.987  -0.475   3.964
    6    HZ2  LYS  17           HZ1      LYS  17   6.125  -1.098   5.355
    7    HZ1  LYS  17           HZ2      LYS  17   7.259  -2.353   5.313
    8    HZ3  LYS  17           HZ3      LYS  17   5.834  -2.471   4.411
    9    H    LYS  17           HN       LYS  17   6.420  -3.999  -0.930
   10    HB3  LYS  17           HB1      LYS  17   8.403  -4.704   1.979
   11    HG3  LYS  17           HG1      LYS  17   6.372  -3.623   2.924
   12    HD3  LYS  17           HD1      LYS  17   8.411  -1.659   1.878
   13    HE3  LYS  17           HE1      LYS  17   6.509  -0.628   3.013

  No H/Q in entry =          13
  In of MODEL    2
    1    HA   ASP  18           HA       ASP  18  10.394  -7.064  -0.992
    2    HB2  ASP  18           HB2      ASP  18   8.413  -8.403  -1.444
    3    H    ASP  18           HN       ASP  18   7.913  -5.716  -1.534
    4    HB3  ASP  18           HB1      ASP  18   8.222  -7.640  -3.020

  No H/Q in entry =           4
  In of MODEL    2
    1    HA   ASN  19           HA       ASN  19  11.325  -5.450  -5.202
    2    HB2  ASN  19           HB2      ASN  19   8.998  -3.536  -5.347
    3   HD21  ASN  19          HD21      ASN  19  10.597  -6.488  -6.282
    4   HD22  ASN  19          HD22      ASN  19   9.253  -7.184  -7.113
    5    H    ASN  19           HN       ASN  19   9.249  -4.780  -3.218
    6    HB3  ASN  19           HB1      ASN  19  10.273  -3.575  -6.562

  No H/Q in entry =           6
  In of MODEL    2
    1    HA   VAL  20           HA       VAL  20  12.649  -1.189  -4.169
    2    HB   VAL  20           HB       VAL  20  10.445   0.130  -2.651
    3    H    VAL  20           HN       VAL  20  10.085  -2.443  -3.780

  No H/Q in entry =           3
  In of MODEL    2
    1    HA   HIS  21           HA       HIS  21  12.636  -1.259   0.390
    2    HB2  HIS  21           HB2      HIS  21  10.122  -2.069   0.773
    3    HD1  HIS  21           HD1      HIS  21  10.873  -3.402   3.803
    4    HD2  HIS  21           HD2      HIS  21  11.863   0.262   2.114
    5    HE1  HIS  21           HE1      HIS  21  11.357  -1.876   5.742
    6    HE2  HIS  21           HE2      HIS  21  11.834   0.363   4.698
    7    H    HIS  21           HN       HIS  21  10.897  -2.640  -1.474
    8    HB3  HIS  21           HB1      HIS  21  10.958  -3.515   1.330

  No H/Q in entry =           8
  In of MODEL    2
    1    HA   ASP  22           HA       ASP  22  14.123  -5.777   0.479
    2    HB2  ASP  22           HB2      ASP  22  12.910  -6.913  -1.332
    3    H    ASP  22           HN       ASP  22  12.337  -4.448  -1.206
    4    HB3  ASP  22           HB1      ASP  22  13.882  -6.057  -2.526

  No H/Q in entry =           4
  In of MODEL    2
    1    HA   LYS  23           HA       LYS  23  17.683  -4.071  -2.210
    2    HB2  LYS  23           HB2      LYS  23  17.712  -2.108  -3.726
    3    HG2  LYS  23           HG2      LYS  23  14.720  -2.259  -3.417
    4    HD2  LYS  23           HD2      LYS  23  15.721  -2.037  -5.815
    5    HE2  LYS  23           HE2      LYS  23  16.021   0.781  -4.794
    6    HZ2  LYS  23           HZ1      LYS  23  16.895   1.199  -7.004
    7    HZ1  LYS  23           HZ2      LYS  23  15.304   0.634  -7.096
    8    HZ3  LYS  23           HZ3      LYS  23  16.591  -0.402  -7.457
    9    H    LYS  23           HN       LYS  23  15.085  -4.220  -2.751
   10    HB3  LYS  23           HB1      LYS  23  16.728  -3.438  -4.328
   11    HG3  LYS  23           HG1      LYS  23  15.765  -0.883  -3.055
   12    HD3  LYS  23           HD1      LYS  23  14.426  -0.958  -5.294
   13    HE3  LYS  23           HE1      LYS  23  17.365  -0.298  -5.170

  No H/Q in entry =          13
  In of MODEL    2
    1    HA   ILE  24           HA       ILE  24  17.137   0.191  -0.157
    2    HB   ILE  24           HB       ILE  24  14.323  -0.378   0.727
    3   HD12  ILE  24          HD11      ILE  24  13.489   2.766   0.108
    4   HD11  ILE  24          HD12      ILE  24  12.704   1.195  -0.064
    5   HD13  ILE  24          HD13      ILE  24  13.046   2.165  -1.493
    6    H    ILE  24           HN       ILE  24  15.266  -1.671  -1.030

  No H/Q in entry =           6
  In of MODEL    2
    1    HA   GLN  25           HA       GLN  25  16.472  -1.544   4.372
    2    HB2  GLN  25           HB2      GLN  25  16.113  -4.359   3.317
    3    HG2  GLN  25           HG2      GLN  25  14.095  -2.379   4.208
    4   HE21  GLN  25          HE21      GLN  25  12.062  -4.461   3.828
    5   HE22  GLN  25          HE22      GLN  25  11.972  -5.309   5.331
    6    H    GLN  25           HN       GLN  25  15.265  -1.962   2.032
    7    HB3  GLN  25           HB1      GLN  25  16.151  -3.870   5.003
    8    HG3  GLN  25           HG1      GLN  25  13.974  -3.667   3.009

  No H/Q in entry =           8
  In of MODEL    2
    1    HA   GLU  26           HA       GLU  26  20.162  -4.402   3.179
    2    HB2  GLU  26           HB2      GLU  26  19.240  -5.529   1.177
    3    HG2  GLU  26           HG2      GLU  26  21.294  -5.793  -0.119
    4    H    GLU  26           HN       GLU  26  17.687  -3.840   2.088
    5    HB3  GLU  26           HB1      GLU  26  19.616  -4.103   0.222
    6    HG3  GLU  26           HG1      GLU  26  21.997  -4.410   0.717

  No H/Q in entry =           6
  In of MODEL    2
    1    HA   LEU  27           HA       LEU  27  22.283  -0.774   1.189
    2    HB2  LEU  27           HB2      LEU  27  20.419  -0.065  -1.043
    3    HG   LEU  27           HG       LEU  27  21.058  -2.540  -1.082
    4   HD13  LEU  27          HD11      LEU  27  21.297  -2.516  -3.421
    5   HD12  LEU  27          HD12      LEU  27  22.104  -0.948  -3.402
    6   HD11  LEU  27          HD13      LEU  27  20.386  -1.059  -3.024
    7   HD23  LEU  27          HD21      LEU  27  23.329  -3.041  -1.841
    8   HD22  LEU  27          HD22      LEU  27  23.338  -2.297  -0.242
    9   HD21  LEU  27          HD23      LEU  27  23.767  -1.343  -1.662
   10    H    LEU  27           HN       LEU  27  19.748  -2.041   0.528
   11    HB3  LEU  27           HB1      LEU  27  22.135   0.265  -0.921

  No H/Q in entry =          11
  In of MODEL    2
    1    HA   LYS  28           HA       LYS  28  19.667   3.120   1.102
    2    HB2  LYS  28           HB2      LYS  28  17.147   1.841   0.105
    3    HG2  LYS  28           HG2      LYS  28  17.984   3.463  -1.866
    4    HD2  LYS  28           HD2      LYS  28  18.837   0.595  -1.519
    5    HE2  LYS  28           HE2      LYS  28  18.644   0.474  -3.936
    6    HZ3  LYS  28           HZ1      LYS  28  20.491   1.908  -4.553
    7    HZ2  LYS  28           HZ2      LYS  28  20.793   1.141  -3.076
    8    HZ1  LYS  28           HZ3      LYS  28  20.336   2.770  -3.106
    9    H    LYS  28           HN       LYS  28  19.022   0.391   0.478
   10    HB3  LYS  28           HB1      LYS  28  17.400   3.558   0.285
   11    HG3  LYS  28           HG1      LYS  28  19.532   2.893  -1.237
   12    HD3  LYS  28           HD1      LYS  28  17.230   1.115  -2.027
   13    HE3  LYS  28           HE1      LYS  28  18.165   2.171  -4.001

  No H/Q in entry =          13
  In of MODEL    2
    1    HA   ASP  29           HA       ASP  29  16.267   1.309   4.307
    2    HB2  ASP  29           HB2      ASP  29  17.700  -0.533   5.004
    3    H    ASP  29           HN       ASP  29  18.555   0.663   3.096
    4    HB3  ASP  29           HB1      ASP  29  18.809   0.601   5.763

  No H/Q in entry =           4
  In of MODEL    2
    1    HA   ASP  30           HA       ASP  30  17.858   4.815   6.809
    2    HB2  ASP  30           HB2      ASP  30  20.310   5.500   5.179
    3    H    ASP  30           HN       ASP  30  19.001   3.517   4.447
    4    HB3  ASP  30           HB1      ASP  30  19.785   6.371   6.617

  No H/Q in entry =           4
  In of MODEL    2
    1    HA   VAL  31           HA       VAL  31  17.041   8.244   3.823
    2    HB   VAL  31           HB       VAL  31  18.354   9.033   1.737
    3    H    VAL  31           HN       VAL  31  19.156   6.279   3.908

  No H/Q in entry =           3
  In of MODEL    2
    1    HA3  GLY  32           HA2      GLY  32  16.446   6.519  -0.645
    2    H    GLY  32           HN       GLY  32  18.308   6.064   1.379
    3    HA2  GLY  32           HA1      GLY  32  17.295   4.998  -0.437

  No H/Q in entry =           3
  In of MODEL    2
    1    HA   ASN  33           HA       ASN  33  13.975   3.119   1.887
    2    HB2  ASN  33           HB2      ASN  33  15.126   3.723   4.071
    3   HD21  ASN  33          HD21      ASN  33  14.469   1.585   4.246
    4   HD22  ASN  33          HD22      ASN  33  12.945   1.149   4.935
    5    H    ASN  33           HN       ASN  33  15.956   4.981   2.328
    6    HB3  ASN  33           HB1      ASN  33  13.937   5.015   4.224

  No H/Q in entry =           6
  In of MODEL    2
    1    HA   LYS  34           HA       LYS  34  10.880   6.522   1.596
    2    HB2  LYS  34           HB2      LYS  34  12.833   8.367   1.128
    3    HG2  LYS  34           HG2      LYS  34  10.726   8.797   2.323
    4    HD2  LYS  34           HD2      LYS  34   9.531   9.330  -0.385
    5    HE2  LYS  34           HE2      LYS  34   7.446   9.469   0.853
    6    HZ2  LYS  34           HZ1      LYS  34   7.868  11.475   2.103
    7    HZ1  LYS  34           HZ2      LYS  34   8.762  11.500   0.669
    8    HZ3  LYS  34           HZ3      LYS  34   9.529  11.153   2.135
    9    H    LYS  34           HN       LYS  34  13.675   6.283   0.929
   10    HB3  LYS  34           HB1      LYS  34  11.957   8.382  -0.393
   11    HG3  LYS  34           HG1      LYS  34  11.149  10.077   1.187
   12    HD3  LYS  34           HD1      LYS  34   9.249   7.840   0.518
   13    HE3  LYS  34           HE1      LYS  34   8.293   9.100   2.355

  No H/Q in entry =          13
  In of MODEL    2
    1    HA   ALA  35           HA       ALA  35  11.079   5.812  -3.214
    2    HB3  ALA  35           HB1      ALA  35  12.388   4.040  -4.297
    3    HB2  ALA  35           HB2      ALA  35  13.160   3.682  -2.751
    4    HB1  ALA  35           HB3      ALA  35  13.411   5.248  -3.520
    5    H    ALA  35           HN       ALA  35  12.854   5.604  -1.115

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   ALA  36           HA       ALA  36   9.254   1.653  -2.038
    2    HB2  ALA  36           HB1      ALA  36   9.376   0.221  -0.091
    3    HB3  ALA  36           HB2      ALA  36  10.211   1.484   0.824
    4    HB1  ALA  36           HB3      ALA  36  11.012   0.713  -0.544
    5    H    ALA  36           HN       ALA  36  11.146   3.365  -0.661

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   GLU  37           HA       GLU  37   6.615   3.888   1.144
    2    HB2  GLU  37           HB2      GLU  37   8.594   6.158   1.350
    3    HG2  GLU  37           HG2      GLU  37   9.019   4.151   2.728
    4    H    GLU  37           HN       GLU  37   9.234   4.376  -0.033
    5    HB3  GLU  37           HB1      GLU  37   6.978   6.252   2.042
    6    HG3  GLU  37           HG1      GLU  37   8.719   5.611   3.670

  No H/Q in entry =           6
  In of MODEL    2
    1    HA   VAL  38           HA       VAL  38   5.896   7.250  -2.104
    2    HB   VAL  38           HB       VAL  38   8.306   6.462  -3.759
    3    H    VAL  38           HN       VAL  38   8.133   5.581  -1.468

  No H/Q in entry =           3
  In of MODEL    2
    1    HA   ARG  39           HA       ARG  39   5.539   3.698  -5.417
    2    HB2  ARG  39           HB2      ARG  39   7.529   2.304  -4.466
    3    HG2  ARG  39           HG2      ARG  39   6.212   1.699  -6.510
    4    HD2  ARG  39           HD2      ARG  39   4.702   0.028  -4.507
    5    HE   ARG  39           HE       ARG  39   5.267  -0.662  -7.163
    6   HH11  ARG  39          HH11      ARG  39   2.538  -0.340  -5.021
    7   HH12  ARG  39          HH12      ARG  39   1.593  -1.540  -5.837
    8   HH21  ARG  39          HH21      ARG  39   4.030  -2.244  -8.242
    9   HH22  ARG  39          HH22      ARG  39   2.442  -2.625  -7.665
   10    H    ARG  39           HN       ARG  39   7.249   4.211  -3.326
   11    HB3  ARG  39           HB1      ARG  39   6.294   1.503  -3.509
   12    HG3  ARG  39           HG1      ARG  39   6.911   0.340  -5.629
   13    HD3  ARG  39           HD1      ARG  39   4.044   1.275  -5.564

  No H/Q in entry =          13
  In of MODEL    2
    1    HA   ASP  40           HA       ASP  40   2.472   1.803  -2.385
    2    HB2  ASP  40           HB2      ASP  40   3.832   1.188  -0.451
    3    H    ASP  40           HN       ASP  40   5.047   2.932  -1.956
    4    HB3  ASP  40           HB1      ASP  40   3.790   2.849   0.134

  No H/Q in entry =           4
  In of MODEL    2
    1    HA   ALA  41           HA       ALA  41   1.372   6.278  -0.984
    2    HB1  ALA  41           HB1      ALA  41   3.422   7.479  -2.837
    3    HB2  ALA  41           HB2      ALA  41   3.622   7.302  -1.093
    4    HB3  ALA  41           HB3      ALA  41   2.351   8.345  -1.735
    5    H    ALA  41           HN       ALA  41   3.657   5.018  -2.055

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   VAL  42           HA       VAL  42   0.269   7.326  -5.543
    2    HB   VAL  42           HB       VAL  42   0.916   5.904  -7.582
    3    H    VAL  42           HN       VAL  42   2.493   6.125  -4.371

  No H/Q in entry =           3
  In of MODEL    2
    1    HA   SER  43           HA       SER  43  -1.315   2.779  -6.091
    2    HB2  SER  43           HB2      SER  43   0.086   1.917  -3.545
    3    HG   SER  43           HG       SER  43   1.048   2.038  -5.922
    4    H    SER  43           HN       SER  43   0.923   3.932  -4.900
    5    HB3  SER  43           HB1      SER  43  -1.019   0.915  -4.484

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   SER  44           HA       SER  44  -3.437   3.313  -1.742
    2    HB2  SER  44           HB2      SER  44  -1.639   5.654  -1.080
    3    HG   SER  44           HG       SER  44  -1.320   3.069  -0.690
    4    H    SER  44           HN       SER  44  -0.923   3.772  -2.717
    5    HB3  SER  44           HB1      SER  44  -3.002   5.112  -0.100

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   THR  45           HA       THR  45  -4.657   7.718  -3.319
    2    HB   THR  45           HB       THR  45  -2.922   7.508  -5.789
    3    HG1  THR  45           HG1      THR  45  -1.524   8.099  -4.240
    4   HG22  THR  45          HG21      THR  45  -3.613   9.835  -6.177
    5   HG21  THR  45          HG22      THR  45  -4.677   9.747  -4.773
    6   HG23  THR  45          HG23      THR  45  -4.995   8.738  -6.184
    7    H    THR  45           HN       THR  45  -2.384   6.118  -3.636

  No H/Q in entry =           7
  In of MODEL    2
    1    HA   VAL  46           HA       VAL  46  -6.378   5.363  -7.055
    2    HB   VAL  46           HB       VAL  46  -4.549   2.965  -6.794
    3    H    VAL  46           HN       VAL  46  -3.968   5.081  -5.505

  No H/Q in entry =           3
  In of MODEL    2
    1    HA   GLU  47           HA       GLU  47  -7.432   1.310  -4.468
    2    HB2  GLU  47           HB2      GLU  47  -5.139   2.081  -2.771
    3    HG2  GLU  47           HG2      GLU  47  -6.205  -0.668  -3.144
    4    H    GLU  47           HN       GLU  47  -5.250   2.749  -4.976
    5    HB3  GLU  47           HB1      GLU  47  -6.491   1.281  -1.984
    6    HG3  GLU  47           HG1      GLU  47  -5.331   0.117  -4.463

  No H/Q in entry =           6
  In of MODEL    2
    1    HA   SER  48           HA       SER  48  -9.149   4.398  -1.471
    2    HB2  SER  48           HB2      SER  48  -7.682   6.796  -2.590
    3    HG   SER  48           HG       SER  48  -6.799   6.729  -0.407
    4    H    SER  48           HN       SER  48  -7.170   4.612  -3.590
    5    HB3  SER  48           HB1      SER  48  -8.856   6.876  -1.278

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   ILE  49           HA       ILE  49 -11.538   7.080  -4.543
    2    HB   ILE  49           HB       ILE  49 -11.072   7.448  -7.031
    3   HD13  ILE  49          HD11      ILE  49  -9.461   4.838  -7.232
    4   HD12  ILE  49          HD12      ILE  49  -8.271   5.542  -8.327
    5   HD11  ILE  49          HD13      ILE  49  -9.978   5.951  -8.500
    6    H    ILE  49           HN       ILE  49  -8.831   6.317  -4.459

  No H/Q in entry =           6
  In of MODEL    2
    1    HA   LYS  50           HA       LYS  50 -12.038   3.352  -7.254
    2    HB2  LYS  50           HB2      LYS  50 -10.925   1.148  -7.229
    3    HG2  LYS  50           HG2      LYS  50  -8.638   2.113  -5.698
    4    HD2  LYS  50           HD2      LYS  50  -9.104  -0.345  -4.799
    5    HE2  LYS  50           HE2      LYS  50  -7.136   0.420  -6.095
    6    HZ2  LYS  50           HZ1      LYS  50  -8.283   1.326  -8.018
    7    HZ1  LYS  50           HZ2      LYS  50  -8.811  -0.217  -8.464
    8    HZ3  LYS  50           HZ3      LYS  50  -7.161   0.152  -8.493
    9    H    LYS  50           HN       LYS  50 -10.031   4.117  -5.353
   10    HB3  LYS  50           HB1      LYS  50  -9.823   2.481  -7.544
   11    HG3  LYS  50           HG1      LYS  50 -10.048   1.719  -4.726
   12    HD3  LYS  50           HD1      LYS  50 -10.025  -0.424  -6.303
   13    HE3  LYS  50           HE1      LYS  50  -7.684  -1.192  -6.559

  No H/Q in entry =          13
  In of MODEL    2
    1    HA   ASP  51           HA       ASP  51 -13.751   0.650  -4.011
    2    HB2  ASP  51           HB2      ASP  51 -11.251   0.416  -2.508
    3    H    ASP  51           HN       ASP  51 -11.188   1.947  -4.021
    4    HB3  ASP  51           HB1      ASP  51 -12.711   0.085  -1.574

  No H/Q in entry =           4
  In of MODEL    2
    1    HA   LYS  52           HA       LYS  52 -14.600   3.409  -0.438
    2    HB2  LYS  52           HB2      LYS  52 -12.475   4.106   0.435
    3    HG2  LYS  52           HG2      LYS  52 -14.183   6.571   0.126
    4    HD2  LYS  52           HD2      LYS  52 -11.855   6.731   1.172
    5    HE2  LYS  52           HE2      LYS  52 -13.291   5.292   3.399
    6    HZ2  LYS  52           HZ1      LYS  52 -11.187   5.495   4.553
    7    HZ1  LYS  52           HZ2      LYS  52 -11.791   7.029   4.170
    8    HZ3  LYS  52           HZ3      LYS  52 -10.526   6.367   3.262
    9    H    LYS  52           HN       LYS  52 -12.326   3.343  -2.213
   10    HB3  LYS  52           HB1      LYS  52 -12.324   5.349  -0.803
   11    HG3  LYS  52           HG1      LYS  52 -14.485   5.282   1.295
   12    HD3  LYS  52           HD1      LYS  52 -13.217   7.352   2.107
   13    HE3  LYS  52           HE1      LYS  52 -11.972   4.624   2.438

  No H/Q in entry =          13
  In of MODEL    2
    1    HA   LEU  53           HA       LEU  53 -15.814   6.872  -3.261
    2    HB2  LEU  53           HB2      LEU  53 -13.274   6.875  -4.558
    3    HG   LEU  53           HG       LEU  53 -13.825   9.147  -5.242
    4   HD13  LEU  53          HD11      LEU  53 -16.069   8.842  -6.029
    5   HD12  LEU  53          HD12      LEU  53 -16.091  10.044  -4.739
    6   HD11  LEU  53          HD13      LEU  53 -16.623   8.392  -4.418
    7   HD23  LEU  53          HD21      LEU  53 -14.366  10.079  -3.034
    8   HD22  LEU  53          HD22      LEU  53 -13.173   8.784  -2.924
    9   HD21  LEU  53          HD23      LEU  53 -14.853   8.475  -2.486
   10    H    LEU  53           HN       LEU  53 -13.514   5.106  -3.316
   11    HB3  LEU  53           HB1      LEU  53 -14.503   6.872  -5.804

  No H/Q in entry =          11
  In of MODEL    2
    1    HA   SER  54           HA       SER  54 -16.318   3.058  -6.368
    2    HB2  SER  54           HB2      SER  54 -15.402   1.435  -4.782
    3    HG   SER  54           HG       SER  54 -17.316   0.984  -6.364
    4    H    SER  54           HN       SER  54 -15.150   3.764  -4.064
    5    HB3  SER  54           HB1      SER  54 -16.787   1.680  -3.721

  No H/Q in entry =           5
  In of MODEL    2
    1    HA3  GLY  55           HA2      GLY  55 -20.133   5.287  -4.048
    2    H    GLY  55           HN       GLY  55 -18.033   3.970  -3.417
    3    HA2  GLY  55           HA1      GLY  55 -20.583   3.810  -4.887

  No H/Q in entry =           3
  In of MODEL    2
    1    HA3  GLY  56           HA2      GLY  56 -20.677   2.751  -0.289
    2    H    GLY  56           HN       GLY  56 -19.305   2.185  -2.720
    3    HA2  GLY  56           HA1      GLY  56 -21.547   1.554  -1.235

  No H/Q in entry =           3
  In of MODEL    2
    1    HA   SER  57           HA       SER  57 -17.628  -0.361   0.425
    2    HB2  SER  57           HB2      SER  57 -16.380   1.548   1.280
    3    HG   SER  57           HG       SER  57 -15.270   0.475   2.826
    4    H    SER  57           HN       SER  57 -19.095   2.072   1.009
    5    HB3  SER  57           HB1      SER  57 -17.407   1.615   2.712

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   SER  58           HA       SER  58 -19.606  -2.457   3.787
    2    HB2  SER  58           HB2      SER  58 -21.090  -2.838   1.886
    3    HG   SER  58           HG       SER  58 -21.466  -5.226   2.401
    4    H    SER  58           HN       SER  58 -17.859  -2.300   1.446
    5    HB3  SER  58           HB1      SER  58 -20.014  -4.096   1.278

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   SER  59           HA       SER  59 -16.988  -6.413   3.224
    2    HB2  SER  59           HB2      SER  59 -15.138  -5.131   1.206
    3    HG   SER  59           HG       SER  59 -16.009  -7.275   0.203
    4    H    SER  59           HN       SER  59 -17.344  -4.118   1.628
    5    HB3  SER  59           HB1      SER  59 -14.880  -6.721   1.922

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   ARG  60           HA       ARG  60 -13.479  -4.873   5.549
    2    HB2  ARG  60           HB2      ARG  60 -11.874  -5.331   3.370
    3    HG2  ARG  60           HG2      ARG  60 -11.464  -6.215   5.599
    4    HD2  ARG  60           HD2      ARG  60 -10.496  -3.432   6.231
    5    HE   ARG  60           HE       ARG  60  -9.526  -5.769   7.324
    6   HH11  ARG  60          HH11      ARG  60 -11.179  -2.926   8.476
    7   HH12  ARG  60          HH12      ARG  60 -10.456  -2.985  10.048
    8   HH21  ARG  60          HH21      ARG  60  -8.570  -5.854   9.391
    9   HH22  ARG  60          HH22      ARG  60  -8.974  -4.649  10.568
   10    H    ARG  60           HN       ARG  60 -13.961  -4.824   2.705
   11    HB3  ARG  60           HB1      ARG  60 -11.358  -3.736   3.899
   12    HG3  ARG  60           HG1      ARG  60 -10.014  -5.474   4.927
   13    HD3  ARG  60           HD1      ARG  60 -11.886  -4.246   6.947

  No H/Q in entry =          13
  In of MODEL    2
    1    HA   ALA  61           HA       ALA  61 -14.584  -0.419   4.516
    2    HB2  ALA  61           HB1      ALA  61 -16.924  -1.145   4.558
    3    HB3  ALA  61           HB2      ALA  61 -16.660   0.276   5.570
    4    HB1  ALA  61           HB3      ALA  61 -16.835  -1.314   6.310
    5    H    ALA  61           HN       ALA  61 -15.397  -3.041   5.091

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   SER  62           HA       SER  62 -13.913  -0.152   9.229
    2    HB2  SER  62           HB2      SER  62 -14.677  -2.343  10.014
    3    HG   SER  62           HG       SER  62 -13.699  -1.465  11.692
    4    H    SER  62           HN       SER  62 -14.335  -2.319   7.430
    5    HB3  SER  62           HB1      SER  62 -13.160  -3.071   9.488

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   SER  63           HA       SER  63  -9.452  -1.318   7.780
    2    HB2  SER  63           HB2      SER  63  -8.677  -0.866   5.523
    3    HG   SER  63           HG       SER  63  -9.781   0.629   4.530
    4    H    SER  63           HN       SER  63 -12.044  -1.162   6.729
    5    HB3  SER  63           HB1      SER  63 -10.072  -1.943   5.457

  No H/Q in entry =           5
  In of MODEL    2
    1    HA   TYR  64           HA       TYR  64  -8.311   3.087   7.094
    2    HB2  TYR  64           HB2      TYR  64  -9.007   2.375   9.500
    3    HD1  TYR  64           HD1      TYR  64  -5.908   4.317   9.796
    4    HD2  TYR  64           HD2      TYR  64 -10.113   4.501   9.184
    5    HE1  TYR  64           HE1      TYR  64  -5.859   6.737  10.229
    6    HE2  TYR  64           HE2      TYR  64 -10.076   6.923   9.614
    7    HH   TYR  64           HH       TYR  64  -8.644   8.562  10.800
    8    H    TYR  64           HN       TYR  64  -7.710   0.327   7.220
    9    HB3  TYR  64           HB1      TYR  64  -7.274   2.290   9.800

  No H/Q in entry =           9
  In of MODEL    2
    1    HA   THR  65           HA       THR  65  -3.960   2.544   6.629
    2    HB   THR  65           HB       THR  65  -3.108   1.249   4.759
    3    HG1  THR  65           HG1      THR  65  -4.755   0.208   3.387
    4   HG23  THR  65          HG21      THR  65  -3.805   0.034   6.748
    5   HG22  THR  65          HG22      THR  65  -4.129  -0.919   5.300
    6   HG21  THR  65          HG23      THR  65  -5.448  -0.083   6.119
    7    H    THR  65           HN       THR  65  -6.662   2.426   5.457

  No H/Q in entry =           7
  In of MODEL    2
    1    HA   LEU  66           HA       LEU  66  -3.623   4.837   2.487
    2    HB2  LEU  66           HB2      LEU  66  -6.423   5.075   1.538
    3    HG   LEU  66           HG       LEU  66  -6.279   2.641   1.913
    4   HD11  LEU  66          HD11      LEU  66  -7.488   3.637  -0.025
    5   HD13  LEU  66          HD12      LEU  66  -6.940   1.984  -0.284
    6   HD12  LEU  66          HD13      LEU  66  -6.061   3.328  -1.012
    7   HD23  LEU  66          HD21      LEU  66  -4.663   1.331   0.574
    8   HD22  LEU  66          HD22      LEU  66  -3.894   2.312   1.822
    9   HD21  LEU  66          HD23      LEU  66  -3.849   2.834   0.136
   10    H    LEU  66           HN       LEU  66  -5.505   2.993   3.438
   11    HB3  LEU  66           HB1      LEU  66  -4.931   5.014   0.621

  No H/Q in entry =          11
  In of MODEL    2
    1    HA   GLU  67           HA       GLU  67  -6.391   8.308   3.855
    2    HB2  GLU  67           HB2      GLU  67  -8.611   7.443   3.155
    3    HG2  GLU  67           HG2      GLU  67  -8.659   9.026   5.714
    4    H    GLU  67           HN       GLU  67  -6.946   5.482   3.634
    5    HB3  GLU  67           HB1      GLU  67  -8.822   6.755   4.759
    6    HG3  GLU  67           HG1      GLU  67  -8.565   9.673   4.077
    7    H1   MET   1           HT1      MET   1 -11.397   2.396   4.217
    8    H2   MET   1           HT3      MET   1  -9.944   1.578   3.926
    9    H3   MET   1           HT2      MET   1 -10.128   3.183   3.430
   10    HB3  MET   1           HB1      MET   1 -10.177   0.486   0.860
   11    HG3  MET   1           HG1      MET   1 -10.737   2.401  -0.482
   12    HA   MET   1           HA       MET   1 -11.714   2.609   1.794
   13    HB2  MET   1           HB2      MET   1  -9.073   1.443   1.844
   14    HG2  MET   1           HG2      MET   1  -8.981   2.204  -0.432
   15    HE1  MET   1           HE1      MET   1  -7.806   3.122   1.776
   16    HE3  MET   1           HE2      MET   1  -8.897   3.827   2.966
   17    HE2  MET   1           HE3      MET   1  -7.814   4.864   2.040

  No H/Q in entry =          17
  In of MODEL    3
    1    HA   ASP   2           HA       ASP   2 -14.014  -0.968   2.230
    2    HB2  ASP   2           HB2      ASP   2 -14.845   0.057   0.115
    3    H    ASP   2           HN       ASP   2 -12.250   0.455   0.423
    4    HB3  ASP   2           HB1      ASP   2 -13.853  -1.087  -0.783

  No H/Q in entry =           4
  In of MODEL    3
    1    HA   GLN   3           HA       GLN   3 -12.226  -4.897   1.168
    2    HB2  GLN   3           HB2      GLN   3 -12.751  -6.419  -0.612
    3    HG2  GLN   3           HG2      GLN   3 -13.705  -4.080  -2.244
    4   HE21  GLN   3          HE21      GLN   3 -14.442  -4.629  -4.299
    5   HE22  GLN   3          HE22      GLN   3 -14.966  -6.229  -4.685
    6    H    GLN   3           HN       GLN   3 -13.508  -2.873  -0.442
    7    HB3  GLN   3           HB1      GLN   3 -14.163  -5.419  -0.308
    8    HG3  GLN   3           HG1      GLN   3 -12.177  -4.918  -2.509

  No H/Q in entry =           8
  In of MODEL    3
    1    HA   GLU   4           HA       GLU   4  -9.220  -3.902  -2.271
    2    HB2  GLU   4           HB2      GLU   4  -8.251  -1.858  -2.986
    3    HG2  GLU   4           HG2      GLU   4  -8.824   0.328  -2.104
    4    H    GLU   4           HN       GLU   4 -11.163  -2.435  -0.869
    5    HB3  GLU   4           HB1      GLU   4  -9.982  -1.596  -2.922
    6    HG3  GLU   4           HG1      GLU   4  -9.705  -0.429  -0.778

  No H/Q in entry =           6
  In of MODEL    3
    1    HA   THR   5           HA       THR   5  -6.553  -2.579   1.460
    2    HB   THR   5           HB       THR   5  -7.319  -3.469   3.826
    3    HG1  THR   5           HG1      THR   5  -9.375  -3.908   3.924
    4   HG23  THR   5          HG21      THR   5  -8.066  -1.215   4.413
    5   HG22  THR   5          HG22      THR   5  -8.293  -0.837   2.705
    6   HG21  THR   5          HG23      THR   5  -6.674  -1.154   3.331
    7    H    THR   5           HN       THR   5  -9.300  -2.748   0.981

  No H/Q in entry =           7
  In of MODEL    3
    1    HA   ARG   6           HA       ARG   6  -6.904  -7.197   2.900
    2    HB2  ARG   6           HB2      ARG   6  -9.260  -7.788   1.119
    3    HG2  ARG   6           HG2      ARG   6  -9.309  -7.530   4.114
    4    HD2  ARG   6           HD2      ARG   6 -10.992  -9.031   3.440
    5    HE   ARG   6           HE       ARG   6 -10.962  -7.837   0.959
    6   HH11  ARG   6          HH11      ARG   6 -13.385  -8.840   3.256
    7   HH12  ARG   6          HH12      ARG   6 -14.578  -9.175   2.045
    8   HH21  ARG   6          HH21      ARG   6 -12.526  -8.281  -0.641
    9   HH22  ARG   6          HH22      ARG   6 -14.089  -8.858  -0.170
   10    H    ARG   6           HN       ARG   6  -8.653  -5.307   2.382
   11    HB3  ARG   6           HB1      ARG   6  -8.513  -8.857   2.299
   12    HG3  ARG   6           HG1      ARG   6  -9.874  -6.273   3.014
   13    HD3  ARG   6           HD1      ARG   6 -11.803  -7.474   3.648

  No H/Q in entry =          13
  In of MODEL    3
    1    HA   ASP   7           HA       ASP   7  -6.097  -8.786  -1.370
    2    HB2  ASP   7           HB2      ASP   7  -8.300  -8.720  -2.388
    3    H    ASP   7           HN       ASP   7  -8.166  -7.076  -0.501
    4    HB3  ASP   7           HB1      ASP   7  -7.964  -7.097  -2.958

  No H/Q in entry =           4
  In of MODEL    3
    1    HA   GLN   8           HA       GLN   8  -4.125  -5.187  -3.432
    2    HB2  GLN   8           HB2      GLN   8  -5.754  -2.873  -2.390
    3    HG2  GLN   8           HG2      GLN   8  -7.048  -4.468  -3.848
    4   HE21  GLN   8          HE21      GLN   8  -7.322  -3.356  -6.543
    5   HE22  GLN   8          HE22      GLN   8  -6.158  -4.183  -7.515
    6    H    GLN   8           HN       GLN   8  -6.515  -5.278  -1.802
    7    HB3  GLN   8           HB1      GLN   8  -4.544  -2.819  -3.662
    8    HG3  GLN   8           HG1      GLN   8  -6.940  -2.803  -4.415

  No H/Q in entry =           8
  In of MODEL    3
    1    HA   MET   9           HA       MET   9  -2.610  -2.464   0.205
    2    HB2  MET   9           HB2      MET   9  -4.749  -2.126   1.491
    3    HG2  MET   9           HG2      MET   9  -3.706  -1.716   3.631
    4    HE1  MET   9           HE1      MET   9  -1.341  -0.218   4.241
    5    HE3  MET   9           HE2      MET   9  -0.355   0.493   2.964
    6    HE2  MET   9           HE3      MET   9  -0.282  -1.242   3.271
    7    H    MET   9           HN       MET   9  -5.057  -3.522  -0.402
    8    HB3  MET   9           HB1      MET   9  -4.407  -3.644   2.314
    9    HG3  MET   9           HG1      MET   9  -2.342  -2.743   3.192

  No H/Q in entry =           9
  In of MODEL    3
    1    HA   LYS  10           HA       LYS  10  -1.255  -6.378   2.447
    2    HB2  LYS  10           HB2      LYS  10  -3.553  -8.004   1.461
    3    HG2  LYS  10           HG2      LYS  10  -3.555  -8.778   3.842
    4    HD2  LYS  10           HD2      LYS  10  -4.768  -6.644   2.778
    5    HE2  LYS  10           HE2      LYS  10  -2.987  -5.089   3.366
    6    HZ1  LYS  10           HZ1      LYS  10  -3.555  -5.867   6.174
    7    HZ3  LYS  10           HZ2      LYS  10  -2.553  -4.593   5.693
    8    HZ2  LYS  10           HZ3      LYS  10  -2.126  -6.187   5.327
    9    H    LYS  10           HN       LYS  10  -3.703  -5.773   1.152
   10    HB3  LYS  10           HB1      LYS  10  -2.091  -8.811   1.994
   11    HG3  LYS  10           HG1      LYS  10  -2.319  -7.562   4.165
   12    HD3  LYS  10           HD1      LYS  10  -4.939  -7.104   4.473
   13    HE3  LYS  10           HE1      LYS  10  -4.470  -4.719   4.244

  No H/Q in entry =          13
  In of MODEL    3
    1    HA   ASN  11           HA       ASN  11   0.014  -8.452  -1.515
    2    HB2  ASN  11           HB2      ASN  11  -2.218  -8.989  -2.505
    3   HD21  ASN  11          HD21      ASN  11  -0.838 -10.657  -3.110
    4   HD22  ASN  11          HD22      ASN  11  -0.015 -10.662  -4.630
    5    H    ASN  11           HN       ASN  11  -2.379  -6.961  -0.866
    6    HB3  ASN  11           HB1      ASN  11  -2.158  -7.457  -3.372

  No H/Q in entry =           6
  In of MODEL    3
    1    HA   ALA  12           HA       ALA  12   0.672  -4.662  -4.470
    2    HB3  ALA  12           HB1      ALA  12  -1.464  -3.467  -4.335
    3    HB2  ALA  12           HB2      ALA  12  -0.095  -2.367  -4.174
    4    HB1  ALA  12           HB3      ALA  12  -1.013  -2.847  -2.746
    5    H    ALA  12           HN       ALA  12  -1.412  -5.482  -2.943

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   ALA  13           HA       ALA  13   2.636  -2.453  -0.665
    2    HB3  ALA  13           HB1      ALA  13   0.882  -2.573   1.048
    3    HB1  ALA  13           HB2      ALA  13   2.461  -3.013   1.701
    4    HB2  ALA  13           HB3      ALA  13   1.279  -4.268   1.329
    5    H    ALA  13           HN       ALA  13   0.249  -3.819  -1.041

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   ALA  14           HA       ALA  14   4.380  -6.894   0.573
    2    HB2  ALA  14           HB1      ALA  14   3.761  -8.982  -0.396
    3    HB1  ALA  14           HB2      ALA  14   2.652  -8.190  -1.515
    4    HB3  ALA  14           HB3      ALA  14   2.302  -8.202   0.212
    5    H    ALA  14           HN       ALA  14   2.005  -5.895  -0.010

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   GLU  15           HA       GLU  15   5.917  -7.149  -3.905
    2    HB2  GLU  15           HB2      GLU  15   3.547  -5.689  -5.015
    3    HG2  GLU  15           HG2      GLU  15   3.453  -8.147  -4.633
    4    H    GLU  15           HN       GLU  15   3.423  -6.391  -2.886
    5    HB3  GLU  15           HB1      GLU  15   4.995  -5.962  -5.978
    6    HG3  GLU  15           HG1      GLU  15   3.168  -7.637  -6.286

  No H/Q in entry =           6
  In of MODEL    3
    1    HA   ALA  16           HA       ALA  16   6.799  -2.581  -3.989
    2    HB3  ALA  16           HB1      ALA  16   4.600  -1.647  -3.271
    3    HB2  ALA  16           HB2      ALA  16   5.985  -0.697  -2.731
    4    HB1  ALA  16           HB3      ALA  16   5.149  -1.764  -1.599
    5    H    ALA  16           HN       ALA  16   5.014  -4.233  -2.361

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   LYS  17           HA       LYS  17   8.766  -2.946   0.238
    2    HB2  LYS  17           HB2      LYS  17   6.911  -5.160   1.115
    3    HG2  LYS  17           HG2      LYS  17   6.189  -2.773   1.380
    4    HD2  LYS  17           HD2      LYS  17   8.448  -2.752   3.386
    5    HE2  LYS  17           HE2      LYS  17   6.470  -1.614   4.237
    6    HZ2  LYS  17           HZ1      LYS  17   5.365  -1.101   2.166
    7    HZ1  LYS  17           HZ2      LYS  17   6.596  -0.026   1.732
    8    HZ3  LYS  17           HZ3      LYS  17   5.602   0.319   3.056
    9    H    LYS  17           HN       LYS  17   6.413  -4.107  -0.936
   10    HB3  LYS  17           HB1      LYS  17   8.364  -4.749   2.016
   11    HG3  LYS  17           HG1      LYS  17   6.254  -3.722   2.868
   12    HD3  LYS  17           HD1      LYS  17   8.372  -1.798   1.902
   13    HE3  LYS  17           HE1      LYS  17   7.737  -0.455   3.834

  No H/Q in entry =          13
  In of MODEL    3
    1    HA   ASP  18           HA       ASP  18  10.406  -7.167  -0.908
    2    HB2  ASP  18           HB2      ASP  18   8.358  -8.463  -1.394
    3    H    ASP  18           HN       ASP  18   7.915  -5.846  -1.484
    4    HB3  ASP  18           HB1      ASP  18   8.336  -7.801  -3.026

  No H/Q in entry =           4
  In of MODEL    3
    1    HA   ASN  19           HA       ASN  19  11.353  -5.567  -5.126
    2    HB2  ASN  19           HB2      ASN  19   8.973  -3.733  -5.280
    3   HD21  ASN  19          HD21      ASN  19   9.279  -6.636  -4.952
    4   HD22  ASN  19          HD22      ASN  19   8.565  -7.338  -6.358
    5    H    ASN  19           HN       ASN  19   9.255  -4.914  -3.157
    6    HB3  ASN  19           HB1      ASN  19  10.276  -3.658  -6.461

  No H/Q in entry =           6
  In of MODEL    3
    1    HA   VAL  20           HA       VAL  20  12.628  -1.291  -4.088
    2    HB   VAL  20           HB       VAL  20  10.393   0.038  -2.634
    3    H    VAL  20           HN       VAL  20  10.068  -2.568  -3.730

  No H/Q in entry =           3
  In of MODEL    3
    1    HA   HIS  21           HA       HIS  21  12.527  -1.311   0.474
    2    HB2  HIS  21           HB2      HIS  21  10.036  -2.018   0.881
    3    HD1  HIS  21           HD1      HIS  21  12.133  -0.138   2.161
    4    HD2  HIS  21           HD2      HIS  21  10.507  -3.476   4.029
    5    HE1  HIS  21           HE1      HIS  21  12.390   0.279   4.627
    6    HE2  HIS  21           HE2      HIS  21  11.329  -1.719   5.738
    7    H    HIS  21           HN       HIS  21  10.837  -2.724  -1.415
    8    HB3  HIS  21           HB1      HIS  21  10.756  -3.564   1.316

  No H/Q in entry =           8
  In of MODEL    3
    1    HA   ASP  22           HA       ASP  22  14.077  -5.779   0.635
    2    HB2  ASP  22           HB2      ASP  22  12.877  -6.953  -1.186
    3    H    ASP  22           HN       ASP  22  12.312  -4.498  -1.126
    4    HB3  ASP  22           HB1      ASP  22  13.916  -6.153  -2.366

  No H/Q in entry =           4
  In of MODEL    3
    1    HA   LYS  23           HA       LYS  23  17.627  -4.075  -2.076
    2    HB2  LYS  23           HB2      LYS  23  17.576  -2.069  -3.599
    3    HG2  LYS  23           HG2      LYS  23  14.607  -2.573  -3.514
    4    HD2  LYS  23           HD2      LYS  23  15.677  -2.135  -5.797
    5    HE2  LYS  23           HE2      LYS  23  15.966   0.603  -4.569
    6    HZ3  LYS  23           HZ1      LYS  23  16.837   1.214  -6.740
    7    HZ2  LYS  23           HZ2      LYS  23  15.227   0.709  -6.858
    8    HZ1  LYS  23           HZ3      LYS  23  16.475  -0.325  -7.343
    9    H    LYS  23           HN       LYS  23  15.036  -4.277  -2.620
   10    HB3  LYS  23           HB1      LYS  23  16.776  -3.510  -4.213
   11    HG3  LYS  23           HG1      LYS  23  15.436  -1.110  -2.983
   12    HD3  LYS  23           HD1      LYS  23  14.351  -1.082  -5.300
   13    HE3  LYS  23           HE1      LYS  23  17.291  -0.451  -5.064

  No H/Q in entry =          13
  In of MODEL    3
    1    HA   ILE  24           HA       ILE  24  17.052   0.250  -0.152
    2    HB   ILE  24           HB       ILE  24  14.234  -0.301   0.752
    3   HD12  ILE  24          HD11      ILE  24  13.347   2.805   0.046
    4   HD11  ILE  24          HD12      ILE  24  12.609   1.206  -0.074
    5   HD13  ILE  24          HD13      ILE  24  12.925   2.137  -1.534
    6    H    ILE  24           HN       ILE  24  15.187  -1.633  -0.985

  No H/Q in entry =           6
  In of MODEL    3
    1    HA   GLN  25           HA       GLN  25  16.377  -1.404   4.414
    2    HB2  GLN  25           HB2      GLN  25  15.992  -4.214   3.356
    3    HG2  GLN  25           HG2      GLN  25  14.025  -2.214   3.890
    4   HE21  GLN  25          HE21      GLN  25  13.402  -5.491   4.857
    5   HE22  GLN  25          HE22      GLN  25  12.884  -5.133   6.466
    6    H    GLN  25           HN       GLN  25  15.179  -1.854   2.079
    7    HB3  GLN  25           HB1      GLN  25  16.090  -3.751   5.048
    8    HG3  GLN  25           HG1      GLN  25  13.810  -3.878   3.344

  No H/Q in entry =           8
  In of MODEL    3
    1    HA   GLU  26           HA       GLU  26  20.066  -4.300   3.298
    2    HB2  GLU  26           HB2      GLU  26  19.135  -5.432   1.288
    3    HG2  GLU  26           HG2      GLU  26  21.245  -5.668  -0.007
    4    H    GLU  26           HN       GLU  26  17.603  -3.754   2.191
    5    HB3  GLU  26           HB1      GLU  26  19.572  -4.025   0.328
    6    HG3  GLU  26           HG1      GLU  26  21.945  -4.398   0.996

  No H/Q in entry =           6
  In of MODEL    3
    1    HA   LEU  27           HA       LEU  27  22.221  -0.707   1.285
    2    HB2  LEU  27           HB2      LEU  27  20.361  -0.096  -0.989
    3    HG   LEU  27           HG       LEU  27  21.166  -2.516  -0.983
    4   HD12  LEU  27          HD11      LEU  27  22.203  -0.919  -3.299
    5   HD11  LEU  27          HD12      LEU  27  20.479  -1.061  -2.962
    6   HD13  LEU  27          HD13      LEU  27  21.433  -2.506  -3.307
    7   HD23  LEU  27          HD21      LEU  27  23.809  -1.161  -1.514
    8   HD22  LEU  27          HD22      LEU  27  23.482  -2.889  -1.650
    9   HD21  LEU  27          HD23      LEU  27  23.401  -2.096  -0.076
   10    H    LEU  27           HN       LEU  27  19.683  -1.970   0.615
   11    HB3  LEU  27           HB1      LEU  27  22.047   0.359  -0.840

  No H/Q in entry =          11
  In of MODEL    3
    1    HA   LYS  28           HA       LYS  28  19.599   3.192   1.122
    2    HB2  LYS  28           HB2      LYS  28  17.097   1.890   0.112
    3    HG2  LYS  28           HG2      LYS  28  17.962   3.495  -1.865
    4    HD2  LYS  28           HD2      LYS  28  18.811   0.626  -1.511
    5    HE2  LYS  28           HE2      LYS  28  19.733   1.715  -3.493
    6    HZ2  LYS  28           HZ1      LYS  28  18.258   2.539  -5.207
    7    HZ1  LYS  28           HZ2      LYS  28  18.049   3.431  -3.786
    8    HZ3  LYS  28           HZ3      LYS  28  16.907   2.264  -4.227
    9    H    LYS  28           HN       LYS  28  18.967   0.450   0.529
   10    HB3  LYS  28           HB1      LYS  28  17.345   3.609   0.271
   11    HG3  LYS  28           HG1      LYS  28  19.496   2.909  -1.215
   12    HD3  LYS  28           HD1      LYS  28  17.186   1.132  -1.979
   13    HE3  LYS  28           HE1      LYS  28  18.529   0.503  -3.928

  No H/Q in entry =          13
  In of MODEL    3
    1    HA   ASP  29           HA       ASP  29  16.171   1.407   4.315
    2    HB2  ASP  29           HB2      ASP  29  17.619  -0.410   5.058
    3    H    ASP  29           HN       ASP  29  18.470   0.754   3.135
    4    HB3  ASP  29           HB1      ASP  29  18.699   0.748   5.820

  No H/Q in entry =           4
  In of MODEL    3
    1    HA   ASP  30           HA       ASP  30  17.722   4.976   6.758
    2    HB2  ASP  30           HB2      ASP  30  20.165   5.662   5.113
    3    H    ASP  30           HN       ASP  30  18.878   3.641   4.422
    4    HB3  ASP  30           HB1      ASP  30  19.635   6.537   6.545

  No H/Q in entry =           4
  In of MODEL    3
    1    HA   VAL  31           HA       VAL  31  16.886   8.337   3.692
    2    HB   VAL  31           HB       VAL  31  18.200   9.085   1.593
    3    H    VAL  31           HN       VAL  31  19.012   6.384   3.825

  No H/Q in entry =           3
  In of MODEL    3
    1    HA3  GLY  32           HA2      GLY  32  16.331   6.512  -0.750
    2    H    GLY  32           HN       GLY  32  18.172   6.110   1.296
    3    HA2  GLY  32           HA1      GLY  32  17.160   4.991  -0.490

  No H/Q in entry =           3
  In of MODEL    3
    1    HA   ASN  33           HA       ASN  33  13.787   3.222   1.850
    2    HB2  ASN  33           HB2      ASN  33  14.828   3.732   4.038
    3   HD21  ASN  33          HD21      ASN  33  12.640   2.245   2.799
    4   HD22  ASN  33          HD22      ASN  33  11.496   1.946   4.058
    5    H    ASN  33           HN       ASN  33  15.784   5.077   2.262
    6    HB3  ASN  33           HB1      ASN  33  13.896   5.225   4.107

  No H/Q in entry =           6
  In of MODEL    3
    1    HA   LYS  34           HA       LYS  34  10.719   6.653   1.338
    2    HB2  LYS  34           HB2      LYS  34  12.207   8.629   1.369
    3    HG2  LYS  34           HG2      LYS  34  10.793  10.121   0.170
    4    HD2  LYS  34           HD2      LYS  34   9.186   7.723   1.038
    5    HE2  LYS  34           HE2      LYS  34   7.837   9.243  -0.241
    6    HZ2  LYS  34           HZ1      LYS  34   7.524  11.521   0.486
    7    HZ1  LYS  34           HZ2      LYS  34   9.136  11.265   0.042
    8    HZ3  LYS  34           HZ3      LYS  34   8.711  11.335   1.678
    9    H    LYS  34           HN       LYS  34  13.545   6.360   0.772
   10    HB3  LYS  34           HB1      LYS  34  12.504   8.394  -0.351
   11    HG3  LYS  34           HG1      LYS  34  10.229   8.820  -0.879
   12    HD3  LYS  34           HD1      LYS  34   9.727   9.037   2.086
   13    HE3  LYS  34           HE1      LYS  34   7.405   9.314   1.463

  No H/Q in entry =          13
  In of MODEL    3
    1    HA   ALA  35           HA       ALA  35  11.043   5.719  -3.325
    2    HB3  ALA  35           HB1      ALA  35  12.358   3.903  -4.354
    3    HB2  ALA  35           HB2      ALA  35  13.115   3.595  -2.792
    4    HB1  ALA  35           HB3      ALA  35  13.368   5.137  -3.604
    5    H    ALA  35           HN       ALA  35  12.721   5.346  -1.087

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   ALA  36           HA       ALA  36   9.144   1.605  -2.117
    2    HB2  ALA  36           HB1      ALA  36   9.285   0.156  -0.186
    3    HB3  ALA  36           HB2      ALA  36  10.142   1.404   0.730
    4    HB1  ALA  36           HB3      ALA  36  10.920   0.636  -0.652
    5    H    ALA  36           HN       ALA  36  11.080   3.288  -0.757

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   GLU  37           HA       GLU  37   6.630   3.884   1.141
    2    HB2  GLU  37           HB2      GLU  37   8.760   5.990   1.359
    3    HG2  GLU  37           HG2      GLU  37   8.869   4.044   2.855
    4    H    GLU  37           HN       GLU  37   9.229   4.315  -0.095
    5    HB3  GLU  37           HB1      GLU  37   7.131   6.324   1.935
    6    HG3  GLU  37           HG1      GLU  37   8.637   5.566   3.717

  No H/Q in entry =           6
  In of MODEL    3
    1    HA   VAL  38           HA       VAL  38   5.915   7.324  -2.033
    2    HB   VAL  38           HB       VAL  38   8.294   6.517  -3.720
    3    H    VAL  38           HN       VAL  38   8.146   5.654  -1.448

  No H/Q in entry =           3
  In of MODEL    3
    1    HA   ARG  39           HA       ARG  39   5.478   3.713  -5.317
    2    HB2  ARG  39           HB2      ARG  39   7.416   2.302  -4.313
    3    HG2  ARG  39           HG2      ARG  39   6.049   1.613  -6.302
    4    HD2  ARG  39           HD2      ARG  39   4.491   0.240  -4.136
    5    HE   ARG  39           HE       ARG  39   5.140  -0.938  -6.616
    6   HH11  ARG  39          HH11      ARG  39   2.414  -0.321  -4.536
    7   HH12  ARG  39          HH12      ARG  39   1.521  -1.701  -5.082
    8   HH21  ARG  39          HH21      ARG  39   3.973  -2.759  -7.338
    9   HH22  ARG  39          HH22      ARG  39   2.407  -3.086  -6.674
   10    H    ARG  39           HN       ARG  39   7.186   4.264  -3.249
   11    HB3  ARG  39           HB1      ARG  39   6.172   1.592  -3.297
   12    HG3  ARG  39           HG1      ARG  39   6.739   0.295  -5.356
   13    HD3  ARG  39           HD1      ARG  39   3.891   1.246  -5.451

  No H/Q in entry =          13
  In of MODEL    3
    1    HA   ASP  40           HA       ASP  40   2.322   2.034  -2.224
    2    HB2  ASP  40           HB2      ASP  40   3.615   1.481  -0.246
    3    H    ASP  40           HN       ASP  40   4.927   3.093  -1.839
    4    HB3  ASP  40           HB1      ASP  40   3.679   3.175   0.229

  No H/Q in entry =           4
  In of MODEL    3
    1    HA   ALA  41           HA       ALA  41   1.267   6.577  -1.101
    2    HB3  ALA  41           HB1      ALA  41   2.306   8.606  -1.884
    3    HB1  ALA  41           HB2      ALA  41   3.422   7.685  -2.893
    4    HB2  ALA  41           HB3      ALA  41   3.524   7.573  -1.136
    5    H    ALA  41           HN       ALA  41   3.574   5.246  -2.054

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   VAL  42           HA       VAL  42   0.329   7.503  -5.709
    2    HB   VAL  42           HB       VAL  42   1.037   6.046  -7.704
    3    H    VAL  42           HN       VAL  42   2.510   6.308  -4.445

  No H/Q in entry =           3
  In of MODEL    3
    1    HA   SER  43           HA       SER  43  -1.291   2.978  -6.213
    2    HB2  SER  43           HB2      SER  43   0.129   2.072  -3.694
    3    HG   SER  43           HG       SER  43   0.800   2.014  -6.333
    4    H    SER  43           HN       SER  43   0.963   4.114  -5.021
    5    HB3  SER  43           HB1      SER  43  -0.974   1.086  -4.654

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   SER  44           HA       SER  44  -3.315   3.473  -1.794
    2    HB2  SER  44           HB2      SER  44  -2.751   4.901  -0.040
    3    HG   SER  44           HG       SER  44  -1.614   6.799  -0.301
    4    H    SER  44           HN       SER  44  -0.839   3.935  -2.829
    5    HB3  SER  44           HB1      SER  44  -1.170   4.508  -0.712

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   THR  45           HA       THR  45  -4.645   7.823  -3.408
    2    HB   THR  45           HB       THR  45  -2.832   7.661  -5.825
    3    HG1  THR  45           HG1      THR  45  -2.794   9.302  -3.496
    4   HG23  THR  45          HG21      THR  45  -4.933   8.745  -6.389
    5   HG22  THR  45          HG22      THR  45  -3.645   9.946  -6.296
    6   HG21  THR  45          HG23      THR  45  -4.801   9.789  -4.974
    7    H    THR  45           HN       THR  45  -2.333   6.276  -3.723

  No H/Q in entry =           7
  In of MODEL    3
    1    HA   VAL  46           HA       VAL  46  -6.319   5.462  -7.134
    2    HB   VAL  46           HB       VAL  46  -4.350   3.171  -6.982
    3    H    VAL  46           HN       VAL  46  -3.899   5.189  -5.584

  No H/Q in entry =           3
  In of MODEL    3
    1    HA   GLU  47           HA       GLU  47  -7.346   1.324  -4.766
    2    HB2  GLU  47           HB2      GLU  47  -4.927   1.796  -3.174
    3    HG2  GLU  47           HG2      GLU  47  -4.793  -0.611  -3.184
    4    H    GLU  47           HN       GLU  47  -5.114   2.783  -5.162
    5    HB3  GLU  47           HB1      GLU  47  -6.283   1.101  -2.298
    6    HG3  GLU  47           HG1      GLU  47  -6.418  -0.722  -3.863

  No H/Q in entry =           6
  In of MODEL    3
    1    HA   SER  48           HA       SER  48  -8.873   4.197  -1.473
    2    HB2  SER  48           HB2      SER  48  -6.984   5.712  -1.110
    3    HG   SER  48           HG       SER  48  -8.205   7.075  -0.062
    4    H    SER  48           HN       SER  48  -6.981   4.527  -3.657
    5    HB3  SER  48           HB1      SER  48  -7.484   6.685  -2.492

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   ILE  49           HA       ILE  49 -11.347   7.137  -4.238
    2    HB   ILE  49           HB       ILE  49 -10.996   7.696  -6.695
    3   HD12  ILE  49          HD11      ILE  49  -8.420   5.769  -8.343
    4   HD11  ILE  49          HD12      ILE  49 -10.134   6.189  -8.279
    5   HD13  ILE  49          HD13      ILE  49  -9.472   5.000  -7.153
    6    H    ILE  49           HN       ILE  49  -8.657   6.338  -4.302

  No H/Q in entry =           6
  In of MODEL    3
    1    HA   LYS  50           HA       LYS  50 -12.042   3.614  -7.155
    2    HB2  LYS  50           HB2      LYS  50 -10.958   1.422  -7.383
    3    HG2  LYS  50           HG2      LYS  50  -8.516   1.678  -6.206
    4    HD2  LYS  50           HD2      LYS  50  -9.359  -0.117  -4.651
    5    HE2  LYS  50           HE2      LYS  50 -10.058  -0.411  -7.569
    6    HZ2  LYS  50           HZ1      LYS  50 -10.863  -2.250  -6.236
    7    HZ1  LYS  50           HZ2      LYS  50  -9.335  -2.458  -5.543
    8    HZ3  LYS  50           HZ3      LYS  50  -9.560  -2.748  -7.193
    9    H    LYS  50           HN       LYS  50  -9.936   4.207  -5.301
   10    HB3  LYS  50           HB1      LYS  50  -9.837   2.758  -7.606
   11    HG3  LYS  50           HG1      LYS  50  -9.610   2.221  -4.930
   12    HD3  LYS  50           HD1      LYS  50 -10.951   0.135  -5.367
   13    HE3  LYS  50           HE1      LYS  50  -8.453  -0.633  -6.872

  No H/Q in entry =          13
  In of MODEL    3
    1    HA   ASP  51           HA       ASP  51 -13.658   0.731  -4.030
    2    HB2  ASP  51           HB2      ASP  51 -11.113   0.295  -2.721
    3    H    ASP  51           HN       ASP  51 -11.075   2.007  -4.034
    4    HB3  ASP  51           HB1      ASP  51 -12.470   0.113  -1.612

  No H/Q in entry =           4
  In of MODEL    3
    1    HA   LYS  52           HA       LYS  52 -14.332   3.287  -0.234
    2    HB2  LYS  52           HB2      LYS  52 -12.129   3.934   0.529
    3    HG2  LYS  52           HG2      LYS  52 -13.938   6.345   0.523
    4    HD2  LYS  52           HD2      LYS  52 -12.841   6.771   2.723
    5    HE2  LYS  52           HE2      LYS  52 -10.937   6.727   0.386
    6    HZ3  LYS  52           HZ1      LYS  52 -11.075   8.531   2.740
    7    HZ2  LYS  52           HZ2      LYS  52  -9.974   8.647   1.462
    8    HZ1  LYS  52           HZ3      LYS  52  -9.920   7.318   2.507
    9    H    LYS  52           HN       LYS  52 -12.127   3.269  -2.091
   10    HB3  LYS  52           HB1      LYS  52 -12.085   5.262  -0.624
   11    HG3  LYS  52           HG1      LYS  52 -14.036   4.997   1.658
   12    HD3  LYS  52           HD1      LYS  52 -11.683   5.497   2.332
   13    HE3  LYS  52           HE1      LYS  52 -12.160   7.967   0.667

  No H/Q in entry =          13
  In of MODEL    3
    1    HA   LEU  53           HA       LEU  53 -15.542   7.050  -2.749
    2    HB2  LEU  53           HB2      LEU  53 -13.113   6.825  -4.399
    3    HG   LEU  53           HG       LEU  53 -13.107   9.251  -4.333
    4   HD11  LEU  53          HD11      LEU  53 -15.789   8.980  -2.983
    5   HD13  LEU  53          HD12      LEU  53 -15.496   9.619  -4.599
    6   HD12  LEU  53          HD13      LEU  53 -14.888  10.483  -3.186
    7   HD22  LEU  53          HD21      LEU  53 -12.193   8.095  -2.405
    8   HD21  LEU  53          HD22      LEU  53 -13.790   8.025  -1.664
    9   HD23  LEU  53          HD23      LEU  53 -12.995   9.583  -1.897
   10    H    LEU  53           HN       LEU  53 -13.246   5.314  -2.919
   11    HB3  LEU  53           HB1      LEU  53 -14.512   7.451  -5.236

  No H/Q in entry =          11
  In of MODEL    3
    1    HA   SER  54           HA       SER  54 -16.081   3.526  -6.132
    2    HB2  SER  54           HB2      SER  54 -15.284   1.741  -4.657
    3    HG   SER  54           HG       SER  54 -17.427   0.420  -4.930
    4    H    SER  54           HN       SER  54 -14.960   4.000  -3.780
    5    HB3  SER  54           HB1      SER  54 -16.706   1.942  -3.636

  No H/Q in entry =           5
  In of MODEL    3
    1    HA3  GLY  55           HA2      GLY  55 -19.914   5.692  -3.713
    2    H    GLY  55           HN       GLY  55 -17.892   4.269  -3.186
    3    HA2  GLY  55           HA1      GLY  55 -20.357   4.392  -4.808

  No H/Q in entry =           3
  In of MODEL    3
    1    HA3  GLY  56           HA2      GLY  56 -20.959   2.709  -0.465
    2    H    GLY  56           HN       GLY  56 -19.245   2.437  -2.753
    3    HA2  GLY  56           HA1      GLY  56 -21.580   1.555  -1.633

  No H/Q in entry =           3
  In of MODEL    3
    1    HA   SER  57           HA       SER  57 -17.686  -0.284   0.169
    2    HB2  SER  57           HB2      SER  57 -16.158   0.441   1.967
    3    HG   SER  57           HG       SER  57 -16.514   2.682   2.689
    4    H    SER  57           HN       SER  57 -18.968   2.273   0.588
    5    HB3  SER  57           HB1      SER  57 -16.318   1.677   0.719

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   SER  58           HA       SER  58 -19.731  -1.981   3.662
    2    HB2  SER  58           HB2      SER  58 -21.594  -2.045   2.077
    3    HG   SER  58           HG       SER  58 -21.623  -3.380   4.035
    4    H    SER  58           HN       SER  58 -18.648  -2.056   0.924
    5    HB3  SER  58           HB1      SER  58 -20.900  -3.466   1.297

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   SER  59           HA       SER  59 -17.681  -6.137   2.513
    2    HB2  SER  59           HB2      SER  59 -15.727  -4.731   0.683
    3    HG   SER  59           HG       SER  59 -17.831  -6.579   0.287
    4    H    SER  59           HN       SER  59 -17.776  -3.566   1.321
    5    HB3  SER  59           HB1      SER  59 -15.599  -6.425   1.154

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   ARG  60           HA       ARG  60 -14.116  -5.064   5.032
    2    HB2  ARG  60           HB2      ARG  60 -12.587  -6.020   3.315
    3    HG2  ARG  60           HG2      ARG  60 -10.474  -5.297   4.413
    4    HD2  ARG  60           HD2      ARG  60 -12.792  -5.942   6.229
    5    HE   ARG  60           HE       ARG  60 -10.167  -5.421   7.002
    6   HH11  ARG  60          HH11      ARG  60 -12.529  -7.966   7.306
    7   HH12  ARG  60          HH12      ARG  60 -11.913  -8.530   8.823
    8   HH21  ARG  60          HH21      ARG  60  -9.352  -6.155   8.999
    9   HH22  ARG  60          HH22      ARG  60 -10.109  -7.500   9.787
   10    H    ARG  60           HN       ARG  60 -14.582  -4.580   2.197
   11    HB3  ARG  60           HB1      ARG  60 -12.082  -4.387   2.930
   12    HG3  ARG  60           HG1      ARG  60 -11.416  -4.106   5.309
   13    HD3  ARG  60           HD1      ARG  60 -11.751  -7.101   5.405

  No H/Q in entry =          13
  In of MODEL    3
    1    HA   ALA  61           HA       ALA  61 -14.255  -0.454   4.382
    2    HB2  ALA  61           HB1      ALA  61 -16.623  -0.650   3.767
    3    HB3  ALA  61           HB2      ALA  61 -16.346   0.632   4.946
    4    HB1  ALA  61           HB3      ALA  61 -17.031  -0.908   5.463
    5    H    ALA  61           HN       ALA  61 -15.710  -2.903   4.645

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   SER  62           HA       SER  62 -14.339  -0.751   9.025
    2    HB2  SER  62           HB2      SER  62 -14.080  -2.735  10.467
    3    HG   SER  62           HG       SER  62 -13.987  -4.133   7.998
    4    H    SER  62           HN       SER  62 -14.325  -2.661   6.835
    5    HB3  SER  62           HB1      SER  62 -15.436  -2.913   9.354

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   SER  63           HA       SER  63  -9.876  -1.327   8.735
    2    HB2  SER  63           HB2      SER  63  -8.480  -2.695   7.343
    3    HG   SER  63           HG       SER  63  -9.023  -2.326   5.290
    4    H    SER  63           HN       SER  63 -12.087  -1.656   6.811
    5    HB3  SER  63           HB1      SER  63  -9.990  -3.568   7.605

  No H/Q in entry =           5
  In of MODEL    3
    1    HA   TYR  64           HA       TYR  64  -8.850   1.954   6.008
    2    HB2  TYR  64           HB2      TYR  64  -8.507   4.011   7.280
    3    HD1  TYR  64           HD1      TYR  64  -6.826   4.625   8.784
    4    HD2  TYR  64           HD2      TYR  64  -9.722   1.740   9.962
    5    HE1  TYR  64           HE1      TYR  64  -5.953   4.697  11.081
    6    HE2  TYR  64           HE2      TYR  64  -8.857   1.804  12.264
    7    HH   TYR  64           HH       TYR  64  -6.691   4.203  13.348
    8    H    TYR  64           HN       TYR  64  -8.872   0.539   8.589
    9    HB3  TYR  64           HB1      TYR  64  -9.949   3.179   7.847

  No H/Q in entry =           9
  In of MODEL    3
    1    HA   THR  65           HA       THR  65  -4.471   2.009   6.568
    2    HB   THR  65           HB       THR  65  -3.451   0.614   4.903
    3    HG1  THR  65           HG1      THR  65  -4.421   0.129   2.997
    4   HG21  THR  65          HG21      THR  65  -6.183  -0.381   5.713
    5   HG23  THR  65          HG22      THR  65  -4.661  -0.610   6.577
    6   HG22  THR  65          HG23      THR  65  -4.921  -1.403   5.023
    7    H    THR  65           HN       THR  65  -6.939   2.354   5.021

  No H/Q in entry =           7
  In of MODEL    3
    1    HA   LEU  66           HA       LEU  66  -3.367   4.277   2.518
    2    HB2  LEU  66           HB2      LEU  66  -6.069   4.877   1.410
    3    HG   LEU  66           HG       LEU  66  -6.148   2.439   1.546
    4   HD11  LEU  66          HD11      LEU  66  -6.959   3.738  -0.469
    5   HD13  LEU  66          HD12      LEU  66  -6.660   2.019  -0.711
    6   HD12  LEU  66          HD13      LEU  66  -5.487   3.207  -1.283
    7   HD22  LEU  66          HD21      LEU  66  -3.876   1.810   1.729
    8   HD21  LEU  66          HD22      LEU  66  -3.458   2.603   0.209
    9   HD23  LEU  66          HD23      LEU  66  -4.450   1.145   0.199
   10    H    LEU  66           HN       LEU  66  -5.532   2.674   3.225
   11    HB3  LEU  66           HB1      LEU  66  -4.527   4.797   0.589

  No H/Q in entry =          11
  In of MODEL    3
    1    HA   GLU  67           HA       GLU  67  -6.242   7.885   3.954
    2    HB2  GLU  67           HB2      GLU  67  -7.391   6.196   6.183
    3    HG2  GLU  67           HG2      GLU  67  -8.729   7.389   3.767
    4    H    GLU  67           HN       GLU  67  -6.403   5.102   4.105
    5    HB3  GLU  67           HB1      GLU  67  -7.708   7.908   5.940
    6    HG3  GLU  67           HG1      GLU  67  -8.456   5.673   4.069

  No H/Q in entry =           6
  In of MODEL    4
    1    H1   MET   1           HT2      MET   1  -9.317   1.392   4.612
    2    H2   MET   1           HT1      MET   1  -8.515   0.401   3.503
    3    H3   MET   1           HT3      MET   1  -8.248   2.070   3.491
    4    HB3  MET   1           HB1      MET   1  -9.745   0.496   0.826
    5    HG3  MET   1           HG1      MET   1 -11.266   2.509   0.495
    6    HA   MET   1           HA       MET   1 -10.537   2.448   2.852
    7    HB2  MET   1           HB2      MET   1  -8.491   1.648   1.259
    8    HG2  MET   1           HG2      MET   1  -9.995   2.239  -0.698
    9    HE1  MET   1           HE1      MET   1 -11.426   4.447   2.081
   10    HE3  MET   1           HE2      MET   1 -10.224   5.716   2.320
   11    HE2  MET   1           HE3      MET   1  -9.941   4.100   2.968

  No H/Q in entry =          11
  In of MODEL    4
    1    HA   ASP   2           HA       ASP   2 -13.327  -0.829   2.872
    2    HB2  ASP   2           HB2      ASP   2 -14.331   0.461   1.014
    3    H    ASP   2           HN       ASP   2 -11.624   0.501   0.938
    4    HB3  ASP   2           HB1      ASP   2 -13.584  -0.643  -0.136

  No H/Q in entry =           4
  In of MODEL    4
    1    HA   GLN   3           HA       GLN   3 -12.235  -4.812   1.113
    2    HB2  GLN   3           HB2      GLN   3 -14.182  -4.930  -0.350
    3    HG2  GLN   3           HG2      GLN   3 -12.327  -6.780  -0.395
    4   HE21  GLN   3          HE21      GLN   3 -11.027  -7.980  -1.768
    5   HE22  GLN   3          HE22      GLN   3 -10.370  -7.327  -3.225
    6    H    GLN   3           HN       GLN   3 -13.228  -2.405  -0.124
    7    HB3  GLN   3           HB1      GLN   3 -13.248  -4.261  -1.675
    8    HG3  GLN   3           HG1      GLN   3 -13.699  -6.823  -1.500

  No H/Q in entry =           8
  In of MODEL    4
    1    HA   GLU   4           HA       GLU   4  -8.977  -3.831  -1.985
    2    HB2  GLU   4           HB2      GLU   4  -7.961  -1.857  -2.790
    3    HG2  GLU   4           HG2      GLU   4  -8.418   0.382  -2.002
    4    H    GLU   4           HN       GLU   4 -10.865  -2.217  -0.580
    5    HB3  GLU   4           HB1      GLU   4  -9.682  -1.525  -2.743
    6    HG3  GLU   4           HG1      GLU   4  -9.377  -0.263  -0.674

  No H/Q in entry =           6
  In of MODEL    4
    1    HA   THR   5           HA       THR   5  -6.420  -2.477   1.777
    2    HB   THR   5           HB       THR   5  -8.569  -3.568   3.611
    3    HG1  THR   5           HG1      THR   5  -7.573  -0.924   3.221
    4   HG22  THR   5          HG21      THR   5  -7.037  -2.770   5.412
    5   HG21  THR   5          HG22      THR   5  -5.807  -2.494   4.179
    6   HG23  THR   5          HG23      THR   5  -6.401  -4.126   4.483
    7    H    THR   5           HN       THR   5  -9.161  -2.758   1.265

  No H/Q in entry =           7
  In of MODEL    4
    1    HA   ARG   6           HA       ARG   6  -6.537  -7.104   2.968
    2    HB2  ARG   6           HB2      ARG   6  -8.134  -8.865   2.167
    3    HG2  ARG   6           HG2      ARG   6  -9.833  -6.482   1.481
    4    HD2  ARG   6           HD2      ARG   6 -11.183  -8.022   2.751
    5    HE   ARG   6           HE       ARG   6  -9.706 -10.085   1.437
    6   HH11  ARG   6          HH11      ARG   6 -12.789  -9.320   2.870
    7   HH12  ARG   6          HH12      ARG   6 -13.165 -10.968   3.251
    8   HH21  ARG   6          HH21      ARG   6 -10.194 -12.255   1.932
    9   HH22  ARG   6          HH22      ARG   6 -11.689 -12.636   2.718
   10    H    ARG   6           HN       ARG   6  -8.453  -5.299   2.600
   11    HB3  ARG   6           HB1      ARG   6  -8.781  -7.745   3.355
   12    HG3  ARG   6           HG1      ARG   6  -9.310  -7.770   0.395
   13    HD3  ARG   6           HD1      ARG   6 -11.600  -8.154   1.041

  No H/Q in entry =          13
  In of MODEL    4
    1    HA   ASP   7           HA       ASP   7  -6.130  -8.560  -1.446
    2    HB2  ASP   7           HB2      ASP   7  -8.527  -7.346  -2.212
    3    H    ASP   7           HN       ASP   7  -8.073  -6.867  -0.352
    4    HB3  ASP   7           HB1      ASP   7  -7.332  -6.848  -3.400

  No H/Q in entry =           4
  In of MODEL    4
    1    HA   GLN   8           HA       GLN   8  -4.058  -4.903  -3.312
    2    HB2  GLN   8           HB2      GLN   8  -5.676  -2.609  -2.210
    3    HG2  GLN   8           HG2      GLN   8  -7.062  -4.032  -3.642
    4   HE21  GLN   8          HE21      GLN   8  -3.997  -3.198  -5.087
    5   HE22  GLN   8          HE22      GLN   8  -4.130  -4.251  -6.449
    6    H    GLN   8           HN       GLN   8  -6.440  -5.011  -1.670
    7    HB3  GLN   8           HB1      GLN   8  -4.462  -2.526  -3.478
    8    HG3  GLN   8           HG1      GLN   8  -6.735  -2.459  -4.368

  No H/Q in entry =           8
  In of MODEL    4
    1    HA   MET   9           HA       MET   9  -2.481  -2.243   0.354
    2    HB2  MET   9           HB2      MET   9  -4.540  -1.867   1.705
    3    HG2  MET   9           HG2      MET   9  -3.475  -1.637   3.854
    4    HE1  MET   9           HE1      MET   9  -0.080  -1.422   3.649
    5    HE3  MET   9           HE2      MET   9  -1.053  -0.270   4.564
    6    HE2  MET   9           HE3      MET   9   0.060   0.305   3.324
    7    H    MET   9           HN       MET   9  -4.942  -3.254  -0.245
    8    HB3  MET   9           HB1      MET   9  -4.300  -3.450   2.434
    9    HG3  MET   9           HG1      MET   9  -2.197  -2.753   3.376

  No H/Q in entry =           9
  In of MODEL    4
    1    HA   LYS  10           HA       LYS  10  -1.124  -6.241   2.459
    2    HB2  LYS  10           HB2      LYS  10  -3.611  -7.430   2.091
    3    HG2  LYS  10           HG2      LYS  10  -1.379  -9.021   3.246
    4    HD2  LYS  10           HD2      LYS  10  -3.747  -9.770   3.324
    5    HE2  LYS  10           HE2      LYS  10  -4.712  -7.476   3.529
    6    HZ3  LYS  10           HZ1      LYS  10  -3.872  -7.736   6.367
    7    HZ2  LYS  10           HZ2      LYS  10  -4.847  -6.511   5.727
    8    HZ1  LYS  10           HZ3      LYS  10  -3.227  -6.637   5.254
    9    H    LYS  10           HN       LYS  10  -3.577  -5.569   1.217
   10    HB3  LYS  10           HB1      LYS  10  -2.480  -8.512   1.293
   11    HG3  LYS  10           HG1      LYS  10  -1.873  -7.522   4.039
   12    HD3  LYS  10           HD1      LYS  10  -3.020  -9.550   4.918
   13    HE3  LYS  10           HE1      LYS  10  -5.345  -8.645   4.691

  No H/Q in entry =          13
  In of MODEL    4
    1    HA   ASN  11           HA       ASN  11   0.084  -8.197  -1.596
    2    HB2  ASN  11           HB2      ASN  11  -2.227  -8.633  -2.545
    3   HD21  ASN  11          HD21      ASN  11  -0.538  -7.021  -5.118
    4   HD22  ASN  11          HD22      ASN  11   0.150  -8.439  -5.826
    5    H    ASN  11           HN       ASN  11  -2.313  -6.779  -0.849
    6    HB3  ASN  11           HB1      ASN  11  -2.047  -7.133  -3.452

  No H/Q in entry =           6
  In of MODEL    4
    1    HA   ALA  12           HA       ALA  12   0.690  -4.309  -4.437
    2    HB1  ALA  12           HB1      ALA  12  -0.977  -2.557  -2.632
    3    HB3  ALA  12           HB2      ALA  12  -1.441  -3.121  -4.237
    4    HB2  ALA  12           HB3      ALA  12  -0.073  -2.025  -4.050
    5    H    ALA  12           HN       ALA  12  -1.369  -5.182  -2.913

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   ALA  13           HA       ALA  13   2.728  -2.229  -0.612
    2    HB2  ALA  13           HB1      ALA  13   1.387  -4.051   1.384
    3    HB3  ALA  13           HB2      ALA  13   0.972  -2.359   1.112
    4    HB1  ALA  13           HB3      ALA  13   2.562  -2.787   1.743
    5    H    ALA  13           HN       ALA  13   0.311  -3.555  -0.982

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   ALA  14           HA       ALA  14   4.407  -6.717   0.542
    2    HB1  ALA  14           HB1      ALA  14   2.547  -7.923  -1.490
    3    HB3  ALA  14           HB2      ALA  14   2.365  -8.034   0.259
    4    HB2  ALA  14           HB3      ALA  14   3.752  -8.781  -0.532
    5    H    ALA  14           HN       ALA  14   2.036  -5.671   0.000

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   GLU  15           HA       GLU  15   5.883  -6.969  -3.950
    2    HB2  GLU  15           HB2      GLU  15   3.566  -5.417  -5.072
    3    HG2  GLU  15           HG2      GLU  15   3.352  -7.877  -4.579
    4    H    GLU  15           HN       GLU  15   3.408  -6.175  -2.906
    5    HB3  GLU  15           HB1      GLU  15   4.983  -5.834  -6.028
    6    HG3  GLU  15           HG1      GLU  15   2.987  -7.367  -6.216

  No H/Q in entry =           6
  In of MODEL    4
    1    HA   ALA  16           HA       ALA  16   6.822  -2.408  -4.004
    2    HB3  ALA  16           HB1      ALA  16   4.651  -1.439  -3.284
    3    HB2  ALA  16           HB2      ALA  16   6.044  -0.532  -2.693
    4    HB1  ALA  16           HB3      ALA  16   5.168  -1.613  -1.607
    5    H    ALA  16           HN       ALA  16   5.027  -4.058  -2.381

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   LYS  17           HA       LYS  17   8.786  -2.860   0.232
    2    HB2  LYS  17           HB2      LYS  17   6.881  -5.056   1.036
    3    HG2  LYS  17           HG2      LYS  17   6.251  -2.660   1.394
    4    HD2  LYS  17           HD2      LYS  17   8.548  -2.797   3.352
    5    HE2  LYS  17           HE2      LYS  17   7.903  -0.538   3.989
    6    HZ2  LYS  17           HZ1      LYS  17   5.869  -1.048   5.177
    7    HZ1  LYS  17           HZ2      LYS  17   6.944  -2.351   5.265
    8    HZ3  LYS  17           HZ3      LYS  17   5.617  -2.419   4.218
    9    H    LYS  17           HN       LYS  17   6.426  -3.970  -0.975
   10    HB3  LYS  17           HB1      LYS  17   8.352  -4.737   1.945
   11    HG3  LYS  17           HG1      LYS  17   6.287  -3.662   2.848
   12    HD3  LYS  17           HD1      LYS  17   8.442  -1.752   1.934
   13    HE3  LYS  17           HE1      LYS  17   6.522  -0.609   2.896

  No H/Q in entry =          13
  In of MODEL    4
    1    HA   ASP  18           HA       ASP  18  10.395  -7.068  -1.047
    2    HB2  ASP  18           HB2      ASP  18   8.417  -8.406  -1.499
    3    H    ASP  18           HN       ASP  18   7.907  -5.706  -1.560
    4    HB3  ASP  18           HB1      ASP  18   8.193  -7.610  -3.052

  No H/Q in entry =           4
  In of MODEL    4
    1    HA   ASN  19           HA       ASN  19  11.271  -5.388  -5.250
    2    HB2  ASN  19           HB2      ASN  19   8.938  -4.853  -6.011
    3   HD21  ASN  19          HD21      ASN  19   8.674  -4.222  -8.124
    4   HD22  ASN  19          HD22      ASN  19   9.974  -3.632  -9.094
    5    H    ASN  19           HN       ASN  19   9.223  -4.757  -3.223
    6    HB3  ASN  19           HB1      ASN  19   9.178  -3.213  -5.417

  No H/Q in entry =           6
  In of MODEL    4
    1    HA   VAL  20           HA       VAL  20  12.603  -1.145  -4.144
    2    HB   VAL  20           HB       VAL  20  10.400   0.134  -2.590
    3    H    VAL  20           HN       VAL  20  10.045  -2.414  -3.756

  No H/Q in entry =           3
  In of MODEL    4
    1    HA   HIS  21           HA       HIS  21  12.628  -1.285   0.404
    2    HB2  HIS  21           HB2      HIS  21  10.104  -2.061   0.800
    3    HD1  HIS  21           HD1      HIS  21  10.556  -3.310   3.819
    4    HD2  HIS  21           HD2      HIS  21  12.193   0.121   2.142
    5    HE1  HIS  21           HE1      HIS  21  11.159  -1.832   5.763
    6    HE2  HIS  21           HE2      HIS  21  12.215   0.207   4.726
    7    H    HIS  21           HN       HIS  21  10.856  -2.625  -1.457
    8    HB3  HIS  21           HB1      HIS  21  10.922  -3.523   1.343

  No H/Q in entry =           8
  In of MODEL    4
    1    HA   ASP  22           HA       ASP  22  14.064  -5.808   0.462
    2    HB2  ASP  22           HB2      ASP  22  12.829  -6.904  -1.380
    3    H    ASP  22           HN       ASP  22  12.287  -4.458  -1.217
    4    HB3  ASP  22           HB1      ASP  22  13.865  -6.083  -2.547

  No H/Q in entry =           4
  In of MODEL    4
    1    HA   LYS  23           HA       LYS  23  17.614  -4.080  -2.246
    2    HB2  LYS  23           HB2      LYS  23  17.616  -2.084  -3.718
    3    HG2  LYS  23           HG2      LYS  23  14.629  -2.248  -3.364
    4    HD2  LYS  23           HD2      LYS  23  15.568  -1.981  -5.773
    5    HE2  LYS  23           HE2      LYS  23  15.966   0.803  -4.692
    6    HZ3  LYS  23           HZ1      LYS  23  16.760   1.273  -6.922
    7    HZ2  LYS  23           HZ2      LYS  23  15.150   0.757  -6.962
    8    HZ1  LYS  23           HZ3      LYS  23  16.389  -0.303  -7.415
    9    H    LYS  23           HN       LYS  23  15.016  -4.226  -2.758
   10    HB3  LYS  23           HB1      LYS  23  16.627  -3.402  -4.334
   11    HG3  LYS  23           HG1      LYS  23  15.679  -0.877  -2.991
   12    HD3  LYS  23           HD1      LYS  23  14.307  -0.887  -5.202
   13    HE3  LYS  23           HE1      LYS  23  17.265  -0.295  -5.160

  No H/Q in entry =          13
  In of MODEL    4
    1    HA   ILE  24           HA       ILE  24  17.117   0.150  -0.125
    2    HB   ILE  24           HB       ILE  24  14.294  -0.384   0.759
    3   HD13  ILE  24          HD11      ILE  24  13.077   2.208  -1.475
    4   HD12  ILE  24          HD12      ILE  24  13.443   2.701   0.178
    5   HD11  ILE  24          HD13      ILE  24  12.670   1.143  -0.132
    6    H    ILE  24           HN       ILE  24  15.218  -1.676  -1.014

  No H/Q in entry =           6
  In of MODEL    4
    1    HA   GLN  25           HA       GLN  25  16.429  -1.603   4.394
    2    HB2  GLN  25           HB2      GLN  25  16.015  -4.404   3.327
    3    HG2  GLN  25           HG2      GLN  25  14.038  -2.373   4.157
    4   HE21  GLN  25          HE21      GLN  25  11.944  -4.400   3.909
    5   HE22  GLN  25          HE22      GLN  25  11.846  -5.174   5.451
    6    H    GLN  25           HN       GLN  25  15.208  -1.984   2.055
    7    HB3  GLN  25           HB1      GLN  25  16.056  -3.921   5.015
    8    HG3  GLN  25           HG1      GLN  25  13.886  -3.722   3.030

  No H/Q in entry =           8
  In of MODEL    4
    1    HA   GLU  26           HA       GLU  26  20.060  -4.511   3.184
    2    HB2  GLU  26           HB2      GLU  26  19.228  -5.704   1.244
    3    HG2  GLU  26           HG2      GLU  26  21.810  -4.324   0.543
    4    H    GLU  26           HN       GLU  26  17.595  -3.906   2.090
    5    HB3  GLU  26           HB1      GLU  26  19.382  -4.261   0.249
    6    HG3  GLU  26           HG1      GLU  26  21.647  -5.781   1.523

  No H/Q in entry =           6
  In of MODEL    4
    1    HA   LEU  27           HA       LEU  27  22.238  -0.925   1.193
    2    HB2  LEU  27           HB2      LEU  27  20.378  -0.244  -1.057
    3    HG   LEU  27           HG       LEU  27  21.126  -2.699  -1.053
    4   HD12  LEU  27          HD11      LEU  27  22.076  -1.112  -3.416
    5   HD11  LEU  27          HD12      LEU  27  20.367  -1.248  -3.004
    6   HD13  LEU  27          HD13      LEU  27  21.300  -2.697  -3.389
    7   HD21  LEU  27          HD21      LEU  27  23.403  -2.315  -0.248
    8   HD23  LEU  27          HD22      LEU  27  23.763  -1.383  -1.701
    9   HD22  LEU  27          HD23      LEU  27  23.406  -3.106  -1.825
   10    H    LEU  27           HN       LEU  27  19.684  -2.150   0.526
   11    HB3  LEU  27           HB1      LEU  27  22.080   0.151  -0.920

  No H/Q in entry =          11
  In of MODEL    4
    1    HA   LYS  28           HA       LYS  28  19.697   3.022   1.122
    2    HB2  LYS  28           HB2      LYS  28  17.138   1.824   0.124
    3    HG2  LYS  28           HG2      LYS  28  18.002   3.340  -1.887
    4    HD2  LYS  28           HD2      LYS  28  18.851   0.488  -1.406
    5    HE2  LYS  28           HE2      LYS  28  19.926   1.409  -3.364
    6    HZ3  LYS  28           HZ1      LYS  28  18.618   2.299  -5.187
    7    HZ2  LYS  28           HZ2      LYS  28  18.428   3.252  -3.802
    8    HZ1  LYS  28           HZ3      LYS  28  17.204   2.181  -4.265
    9    H    LYS  28           HN       LYS  28  18.997   0.306   0.474
   10    HB3  LYS  28           HB1      LYS  28  17.469   3.531   0.282
   11    HG3  LYS  28           HG1      LYS  28  19.554   2.808  -1.234
   12    HD3  LYS  28           HD1      LYS  28  17.267   0.997  -1.995
   13    HE3  LYS  28           HE1      LYS  28  18.654   0.291  -3.853

  No H/Q in entry =          13
  In of MODEL    4
    1    HA   ASP  29           HA       ASP  29  16.266   1.256   4.324
    2    HB2  ASP  29           HB2      ASP  29  17.729  -0.606   4.980
    3    H    ASP  29           HN       ASP  29  18.526   0.575   3.089
    4    HB3  ASP  29           HB1      ASP  29  18.785   0.529   5.807

  No H/Q in entry =           4
  In of MODEL    4
    1    HA   ASP  30           HA       ASP  30  17.944   4.735   6.817
    2    HB2  ASP  30           HB2      ASP  30  20.329   5.499   5.120
    3    H    ASP  30           HN       ASP  30  19.016   3.429   4.426
    4    HB3  ASP  30           HB1      ASP  30  19.882   6.221   6.662

  No H/Q in entry =           4
  In of MODEL    4
    1    HA   VAL  31           HA       VAL  31  17.086   8.164   3.836
    2    HB   VAL  31           HB       VAL  31  18.373   8.936   1.725
    3    H    VAL  31           HN       VAL  31  19.184   6.175   3.884

  No H/Q in entry =           3
  In of MODEL    4
    1    HA3  GLY  32           HA2      GLY  32  16.404   6.460  -0.622
    2    H    GLY  32           HN       GLY  32  18.290   5.971   1.371
    3    HA2  GLY  32           HA1      GLY  32  17.238   4.929  -0.437

  No H/Q in entry =           3
  In of MODEL    4
    1    HA   ASN  33           HA       ASN  33  13.919   3.075   1.905
    2    HB2  ASN  33           HB2      ASN  33  15.043   3.548   4.094
    3   HD21  ASN  33          HD21      ASN  33  13.056   4.144   6.124
    4   HD22  ASN  33          HD22      ASN  33  11.921   2.842   6.087
    5    H    ASN  33           HN       ASN  33  15.926   4.913   2.355
    6    HB3  ASN  33           HB1      ASN  33  13.998   4.957   4.256

  No H/Q in entry =           6
  In of MODEL    4
    1    HA   LYS  34           HA       LYS  34  10.879   6.525   1.684
    2    HB2  LYS  34           HB2      LYS  34  12.831   8.353   1.222
    3    HG2  LYS  34           HG2      LYS  34  10.735   8.834   2.386
    4    HD2  LYS  34           HD2      LYS  34   9.533   9.230  -0.346
    5    HE2  LYS  34           HE2      LYS  34   7.451   9.477   0.880
    6    HZ2  LYS  34           HZ1      LYS  34   7.889  11.570   1.966
    7    HZ1  LYS  34           HZ2      LYS  34   8.788  11.477   0.537
    8    HZ3  LYS  34           HZ3      LYS  34   9.548  11.239   2.029
    9    H    LYS  34           HN       LYS  34  13.659   6.253   0.985
   10    HB3  LYS  34           HB1      LYS  34  11.982   8.372  -0.316
   11    HG3  LYS  34           HG1      LYS  34  11.142  10.081   1.208
   12    HD3  LYS  34           HD1      LYS  34   9.235   7.813   0.663
   13    HE3  LYS  34           HE1      LYS  34   8.300   9.218   2.404

  No H/Q in entry =          13
  In of MODEL    4
    1    HA   ALA  35           HA       ALA  35  10.975   5.862  -3.137
    2    HB2  ALA  35           HB1      ALA  35  13.060   3.726  -2.735
    3    HB1  ALA  35           HB2      ALA  35  13.293   5.294  -3.506
    4    HB3  ALA  35           HB3      ALA  35  12.250   4.087  -4.259
    5    H    ALA  35           HN       ALA  35  12.797   5.642  -1.087

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   ALA  36           HA       ALA  36   9.165   1.698  -1.962
    2    HB1  ALA  36           HB1      ALA  36  10.959   0.819  -0.429
    3    HB2  ALA  36           HB2      ALA  36   9.331   0.235  -0.074
    4    HB3  ALA  36           HB3      ALA  36  10.053   1.510   0.917
    5    H    ALA  36           HN       ALA  36  11.050   3.418  -0.587

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   GLU  37           HA       GLU  37   6.491   3.891   1.210
    2    HB2  GLU  37           HB2      GLU  37   8.247   6.349   1.422
    3    HG2  GLU  37           HG2      GLU  37   7.873   4.092   3.380
    4    H    GLU  37           HN       GLU  37   9.120   4.414   0.068
    5    HB3  GLU  37           HB1      GLU  37   6.782   6.044   2.345
    6    HG3  GLU  37           HG1      GLU  37   9.351   4.481   2.501

  No H/Q in entry =           6
  In of MODEL    4
    1    HA   VAL  38           HA       VAL  38   5.826   7.285  -2.022
    2    HB   VAL  38           HB       VAL  38   8.186   6.436  -3.720
    3    H    VAL  38           HN       VAL  38   8.031   5.572  -1.384

  No H/Q in entry =           3
  In of MODEL    4
    1    HA   ARG  39           HA       ARG  39   5.442   3.747  -5.354
    2    HB2  ARG  39           HB2      ARG  39   7.428   2.346  -4.416
    3    HG2  ARG  39           HG2      ARG  39   6.095   1.741  -6.451
    4    HD2  ARG  39           HD2      ARG  39   4.567   0.156  -4.402
    5    HE   ARG  39           HE       ARG  39   5.221  -0.765  -6.961
    6   HH11  ARG  39          HH11      ARG  39   2.407  -0.247  -4.973
    7   HH12  ARG  39          HH12      ARG  39   1.494  -1.521  -5.709
    8   HH21  ARG  39          HH21      ARG  39   4.025  -2.442  -7.938
    9   HH22  ARG  39          HH22      ARG  39   2.414  -2.769  -7.394
   10    H    ARG  39           HN       ARG  39   7.157   4.247  -3.271
   11    HB3  ARG  39           HB1      ARG  39   6.198   1.547  -3.450
   12    HG3  ARG  39           HG1      ARG  39   6.801   0.382  -5.574
   13    HD3  ARG  39           HD1      ARG  39   3.935   1.302  -5.581

  No H/Q in entry =          13
  In of MODEL    4
    1    HA   ASP  40           HA       ASP  40   2.353   1.835  -2.342
    2    HB2  ASP  40           HB2      ASP  40   3.693   1.175  -0.417
    3    H    ASP  40           HN       ASP  40   4.941   2.926  -1.903
    4    HB3  ASP  40           HB1      ASP  40   3.700   2.831   0.180

  No H/Q in entry =           4
  In of MODEL    4
    1    HA   ALA  41           HA       ALA  41   1.251   6.280  -0.900
    2    HB3  ALA  41           HB1      ALA  41   2.270   8.360  -1.517
    3    HB1  ALA  41           HB2      ALA  41   3.355   7.544  -2.643
    4    HB2  ALA  41           HB3      ALA  41   3.521   7.276  -0.907
    5    H    ALA  41           HN       ALA  41   3.558   5.041  -1.970

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   VAL  42           HA       VAL  42   0.267   7.520  -5.429
    2    HB   VAL  42           HB       VAL  42   0.939   6.188  -7.520
    3    H    VAL  42           HN       VAL  42   2.460   6.253  -4.270

  No H/Q in entry =           3
  In of MODEL    4
    1    HA   SER  43           HA       SER  43  -1.341   3.004  -6.191
    2    HB2  SER  43           HB2      SER  43   0.501   1.639  -5.281
    3    HG   SER  43           HG       SER  43  -1.581   0.667  -5.575
    4    H    SER  43           HN       SER  43   0.890   4.097  -4.944
    5    HB3  SER  43           HB1      SER  43  -0.014   2.036  -3.642

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   SER  44           HA       SER  44  -3.486   3.463  -1.831
    2    HB2  SER  44           HB2      SER  44  -2.997   4.880  -0.054
    3    HG   SER  44           HG       SER  44  -2.497   6.884  -0.380
    4    H    SER  44           HN       SER  44  -0.982   3.956  -2.807
    5    HB3  SER  44           HB1      SER  44  -1.388   4.524  -0.682

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   THR  45           HA       THR  45  -4.816   7.784  -3.532
    2    HB   THR  45           HB       THR  45  -3.021   7.570  -5.959
    3    HG1  THR  45           HG1      THR  45  -2.763   8.819  -3.482
    4   HG23  THR  45          HG21      THR  45  -5.134   8.691  -6.457
    5   HG22  THR  45          HG22      THR  45  -3.802   9.846  -6.453
    6   HG21  THR  45          HG23      THR  45  -4.902   9.764  -5.077
    7    H    THR  45           HN       THR  45  -2.498   6.229  -3.804

  No H/Q in entry =           7
  In of MODEL    4
    1    HA   VAL  46           HA       VAL  46  -6.467   5.335  -7.227
    2    HB   VAL  46           HB       VAL  46  -4.517   3.028  -7.027
    3    H    VAL  46           HN       VAL  46  -4.026   5.139  -5.702

  No H/Q in entry =           3
  In of MODEL    4
    1    HA   GLU  47           HA       GLU  47  -7.294   1.230  -4.629
    2    HB2  GLU  47           HB2      GLU  47  -5.125   2.195  -2.838
    3    HG2  GLU  47           HG2      GLU  47  -5.843  -0.625  -3.505
    4    H    GLU  47           HN       GLU  47  -5.194   2.797  -5.143
    5    HB3  GLU  47           HB1      GLU  47  -6.403   1.186  -2.171
    6    HG3  GLU  47           HG1      GLU  47  -4.898   0.364  -4.620

  No H/Q in entry =           6
  In of MODEL    4
    1    HA   SER  48           HA       SER  48  -9.227   4.250  -1.702
    2    HB2  SER  48           HB2      SER  48  -7.857   6.731  -2.766
    3    HG   SER  48           HG       SER  48  -7.043   6.636  -0.512
    4    H    SER  48           HN       SER  48  -7.204   4.551  -3.770
    5    HB3  SER  48           HB1      SER  48  -9.037   6.718  -1.455

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   ILE  49           HA       ILE  49 -11.609   6.900  -4.841
    2    HB   ILE  49           HB       ILE  49 -11.155   7.133  -7.347
    3   HD13  ILE  49          HD11      ILE  49  -9.607   4.523  -7.466
    4   HD12  ILE  49          HD12      ILE  49  -8.389   5.150  -8.577
    5   HD11  ILE  49          HD13      ILE  49 -10.082   5.602  -8.776
    6    H    ILE  49           HN       ILE  49  -8.913   6.186  -4.688

  No H/Q in entry =           6
  In of MODEL    4
    1    HA   LYS  50           HA       LYS  50 -12.145   3.010  -7.274
    2    HB2  LYS  50           HB2      LYS  50 -11.016   0.847  -7.214
    3    HG2  LYS  50           HG2      LYS  50  -8.683   1.640  -5.757
    4    HD2  LYS  50           HD2      LYS  50  -9.092  -0.642  -6.461
    5    HE2  LYS  50           HE2      LYS  50 -10.801  -1.895  -4.902
    6    HZ1  LYS  50           HZ1      LYS  50 -10.875  -1.674  -7.386
    7    HZ3  LYS  50           HZ2      LYS  50 -11.888  -0.337  -7.174
    8    HZ2  LYS  50           HZ3      LYS  50 -12.375  -1.861  -6.629
    9    H    LYS  50           HN       LYS  50 -10.107   3.894  -5.457
   10    HB3  LYS  50           HB1      LYS  50  -9.888   2.155  -7.514
   11    HG3  LYS  50           HG1      LYS  50 -10.083   1.598  -4.698
   12    HD3  LYS  50           HD1      LYS  50  -8.962  -0.554  -4.704
   13    HE3  LYS  50           HE1      LYS  50 -11.575  -0.314  -4.849

  No H/Q in entry =          13
  In of MODEL    4
    1    HA   ASP  51           HA       ASP  51 -13.812   0.587  -3.775
    2    HB2  ASP  51           HB2      ASP  51 -11.263   0.159  -2.624
    3    H    ASP  51           HN       ASP  51 -11.221   1.820  -3.962
    4    HB3  ASP  51           HB1      ASP  51 -12.397   0.452  -1.305

  No H/Q in entry =           4
  In of MODEL    4
    1    HA   LYS  52           HA       LYS  52 -14.340   3.659  -0.300
    2    HB2  LYS  52           HB2      LYS  52 -11.931   4.403  -0.009
    3    HG2  LYS  52           HG2      LYS  52 -14.036   5.239   1.314
    4    HD2  LYS  52           HD2      LYS  52 -14.445   7.049  -0.430
    5    HE2  LYS  52           HE2      LYS  52 -12.047   8.217   0.973
    6    HZ3  LYS  52           HZ1      LYS  52 -12.494  10.194  -0.344
    7    HZ2  LYS  52           HZ2      LYS  52 -13.772   9.883   0.720
    8    HZ1  LYS  52           HZ3      LYS  52 -13.931   9.513  -0.922
    9    H    LYS  52           HN       LYS  52 -12.204   3.319  -2.183
   10    HB3  LYS  52           HB1      LYS  52 -12.319   5.757  -1.061
   11    HG3  LYS  52           HG1      LYS  52 -12.450   5.974   1.547
   12    HD3  LYS  52           HD1      LYS  52 -14.426   7.555   1.261
   13    HE3  LYS  52           HE1      LYS  52 -12.190   7.838  -0.743

  No H/Q in entry =          13
  In of MODEL    4
    1    HA   LEU  53           HA       LEU  53 -15.718   6.934  -3.333
    2    HB2  LEU  53           HB2      LEU  53 -13.349   6.490  -5.025
    3    HG   LEU  53           HG       LEU  53 -13.378   8.899  -5.319
    4   HD13  LEU  53          HD11      LEU  53 -15.782   9.199  -5.530
    5   HD12  LEU  53          HD12      LEU  53 -15.128  10.266  -4.285
    6   HD11  LEU  53          HD13      LEU  53 -15.994   8.799  -3.826
    7   HD23  LEU  53          HD21      LEU  53 -13.141   9.580  -2.978
    8   HD22  LEU  53          HD22      LEU  53 -12.378   8.018  -3.281
    9   HD21  LEU  53          HD23      LEU  53 -13.941   8.091  -2.469
   10    H    LEU  53           HN       LEU  53 -13.422   5.172  -3.353
   11    HB3  LEU  53           HB1      LEU  53 -14.787   6.977  -5.889

  No H/Q in entry =          11
  In of MODEL    4
    1    HA   SER  54           HA       SER  54 -16.334   3.009  -6.211
    2    HB2  SER  54           HB2      SER  54 -15.400   1.395  -4.639
    3    HG   SER  54           HG       SER  54 -16.954  -0.204  -4.899
    4    H    SER  54           HN       SER  54 -15.118   3.765  -3.965
    5    HB3  SER  54           HB1      SER  54 -16.731   1.687  -3.522

  No H/Q in entry =           5
  In of MODEL    4
    1    HA3  GLY  55           HA2      GLY  55 -20.073   5.291  -3.528
    2    H    GLY  55           HN       GLY  55 -17.978   4.085  -3.287
    3    HA2  GLY  55           HA1      GLY  55 -20.491   4.188  -4.830

  No H/Q in entry =           3
  In of MODEL    4
    1    HA3  GLY  56           HA2      GLY  56 -21.403   1.759  -1.069
    2    H    GLY  56           HN       GLY  56 -19.413   1.895  -3.223
    3    HA2  GLY  56           HA1      GLY  56 -21.463   0.550  -2.343

  No H/Q in entry =           3
  In of MODEL    4
    1    HA   SER  57           HA       SER  57 -17.298  -0.248  -0.250
    2    HB2  SER  57           HB2      SER  57 -16.148   0.891   1.636
    3    HG   SER  57           HG       SER  57 -17.343   3.212   1.657
    4    H    SER  57           HN       SER  57 -18.943   2.036  -0.304
    5    HB3  SER  57           HB1      SER  57 -16.409   1.962   0.259

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   SER  58           HA       SER  58 -18.732  -2.375   3.276
    2    HB2  SER  58           HB2      SER  58 -20.747  -3.155   1.155
    3    HG   SER  58           HG       SER  58 -20.637  -1.115   3.094
    4    H    SER  58           HN       SER  58 -18.033  -2.150   0.489
    5    HB3  SER  58           HB1      SER  58 -20.881  -3.536   2.872

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   SER  59           HA       SER  59 -17.242  -6.400   2.919
    2    HB2  SER  59           HB2      SER  59 -16.779  -5.840   0.567
    3    HG   SER  59           HG       SER  59 -14.927  -7.362   2.029
    4    H    SER  59           HN       SER  59 -16.806  -3.618   3.272
    5    HB3  SER  59           HB1      SER  59 -15.241  -5.121   1.042

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   ARG  60           HA       ARG  60 -13.208  -6.021   4.944
    2    HB2  ARG  60           HB2      ARG  60 -11.986  -6.462   2.814
    3    HG2  ARG  60           HG2      ARG  60  -9.726  -6.000   3.648
    4    HD2  ARG  60           HD2      ARG  60 -11.624  -6.926   5.800
    5    HE   ARG  60           HE       ARG  60  -8.772  -6.879   5.761
    6   HH11  ARG  60          HH11      ARG  60 -11.535  -8.741   6.780
    7   HH12  ARG  60          HH12      ARG  60 -10.687  -9.535   8.065
    8   HH21  ARG  60          HH21      ARG  60  -7.648  -7.923   7.450
    9   HH22  ARG  60          HH22      ARG  60  -8.480  -9.069   8.446
   10    H    ARG  60           HN       ARG  60 -14.100  -4.921   2.408
   11    HB3  ARG  60           HB1      ARG  60 -11.571  -4.761   2.759
   12    HG3  ARG  60           HG1      ARG  60 -10.420  -4.995   4.918
   13    HD3  ARG  60           HD1      ARG  60 -10.962  -7.935   4.515

  No H/Q in entry =          13
  In of MODEL    4
    1    HA   ALA  61           HA       ALA  61 -13.351  -1.182   4.937
    2    HB1  ALA  61           HB1      ALA  61 -16.120  -1.799   5.957
    3    HB3  ALA  61           HB2      ALA  61 -15.733  -1.214   4.339
    4    HB2  ALA  61           HB3      ALA  61 -15.412  -0.198   5.744
    5    H    ALA  61           HN       ALA  61 -14.819  -3.481   4.458

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   SER  62           HA       SER  62 -13.802  -2.586   9.528
    2    HB2  SER  62           HB2      SER  62 -14.386  -4.949   9.243
    3    HG   SER  62           HG       SER  62 -12.032  -5.035  10.760
    4    H    SER  62           HN       SER  62 -13.822  -3.835   7.010
    5    HB3  SER  62           HB1      SER  62 -12.735  -5.307   8.736

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   SER  63           HA       SER  63  -9.351  -1.997   9.140
    2    HB2  SER  63           HB2      SER  63  -8.894  -4.103   7.921
    3    HG   SER  63           HG       SER  63  -6.850  -3.593   7.817
    4    H    SER  63           HN       SER  63 -11.451  -2.586   7.160
    5    HB3  SER  63           HB1      SER  63  -8.956  -3.215   6.399

  No H/Q in entry =           5
  In of MODEL    4
    1    HA   TYR  64           HA       TYR  64  -9.088   1.618   6.664
    2    HB2  TYR  64           HB2      TYR  64  -8.747   2.515   9.535
    3    HD1  TYR  64           HD1      TYR  64 -10.578   1.066  10.323
    4    HD2  TYR  64           HD2      TYR  64 -11.169   3.889   7.195
    5    HE1  TYR  64           HE1      TYR  64 -13.011   0.877  10.619
    6    HE2  TYR  64           HE2      TYR  64 -13.604   3.708   7.484
    7    HH   TYR  64           HH       TYR  64 -15.243   2.142   8.374
    8    H    TYR  64           HN       TYR  64  -8.628   0.010   9.088
    9    HB3  TYR  64           HB1      TYR  64  -8.990   3.585   8.159

  No H/Q in entry =           9
  In of MODEL    4
    1    HA   THR  65           HA       THR  65  -4.727   2.135   6.859
    2    HB   THR  65           HB       THR  65  -3.597   1.009   5.053
    3    HG1  THR  65           HG1      THR  65  -6.189   0.614   3.925
    4   HG21  THR  65          HG21      THR  65  -5.961  -0.564   6.075
    5   HG23  THR  65          HG22      THR  65  -4.379  -0.415   6.842
    6   HG22  THR  65          HG23      THR  65  -4.539  -1.268   5.307
    7    H    THR  65           HN       THR  65  -7.300   1.750   5.472

  No H/Q in entry =           7
  In of MODEL    4
    1    HA   LEU  66           HA       LEU  66  -4.436   4.694   2.874
    2    HB2  LEU  66           HB2      LEU  66  -7.264   4.577   1.890
    3    HG   LEU  66           HG       LEU  66  -6.734   2.262   1.742
    4   HD13  LEU  66          HD11      LEU  66  -7.053   1.935  -0.501
    5   HD12  LEU  66          HD12      LEU  66  -5.854   3.141  -0.961
    6   HD11  LEU  66          HD13      LEU  66  -7.435   3.651  -0.379
    7   HD23  LEU  66          HD21      LEU  66  -4.623   1.495   0.636
    8   HD22  LEU  66          HD22      LEU  66  -4.396   2.246   2.215
    9   HD21  LEU  66          HD23      LEU  66  -4.034   3.153   0.746
   10    H    LEU  66           HN       LEU  66  -6.198   2.650   3.643
   11    HB3  LEU  66           HB1      LEU  66  -5.816   5.037   1.019

  No H/Q in entry =          11
  In of MODEL    4
    1    HA   GLU  67           HA       GLU  67  -7.777   7.753   4.259
    2    HB2  GLU  67           HB2      GLU  67  -9.842   6.425   4.160
    3    HG2  GLU  67           HG2      GLU  67 -11.146   7.498   5.910
    4    H    GLU  67           HN       GLU  67  -7.777   4.926   4.098
    5    HB3  GLU  67           HB1      GLU  67  -9.487   5.746   5.742
    6    HG3  GLU  67           HG1      GLU  67  -9.662   7.964   6.739

  No H/Q in entry =           6
  In of MODEL    5
    1    H1   MET   1           HT1      MET   1  -8.888   0.521   3.869
    2    H2   MET   1           HT3      MET   1  -8.694   2.194   3.705
    3    H3   MET   1           HT2      MET   1  -9.897   1.577   4.721
    4    HB3  MET   1           HB1      MET   1  -9.765   0.311   0.971
    5    HG3  MET   1           HG1      MET   1 -11.130   2.429   0.388
    6    HA   MET   1           HA       MET   1 -10.882   2.359   2.695
    7    HB2  MET   1           HB2      MET   1  -8.551   1.448   1.544
    8    HG2  MET   1           HG2      MET   1  -9.803   1.932  -0.661
    9    HE1  MET   1           HE1      MET   1 -11.045   4.405   2.052
   10    HE3  MET   1           HE2      MET   1  -9.710   5.542   2.226
   11    HE2  MET   1           HE3      MET   1  -9.573   3.914   2.890

  No H/Q in entry =          11
  In of MODEL    5
    1    HA   ASP   2           HA       ASP   2 -13.518  -1.016   2.699
    2    HB2  ASP   2           HB2      ASP   2 -14.416   0.209   0.743
    3    H    ASP   2           HN       ASP   2 -11.761   0.390   0.880
    4    HB3  ASP   2           HB1      ASP   2 -13.536  -0.882  -0.320

  No H/Q in entry =           4
  In of MODEL    5
    1    HA   GLN   3           HA       GLN   3 -12.085  -4.965   1.205
    2    HB2  GLN   3           HB2      GLN   3 -12.746  -6.290  -0.652
    3    HG2  GLN   3           HG2      GLN   3 -13.413  -3.790  -2.181
    4   HE21  GLN   3          HE21      GLN   3 -14.172  -4.160  -4.263
    5   HE22  GLN   3          HE22      GLN   3 -14.826  -5.683  -4.747
    6    H    GLN   3           HN       GLN   3 -13.259  -2.723  -0.172
    7    HB3  GLN   3           HB1      GLN   3 -14.064  -5.172  -0.333
    8    HG3  GLN   3           HG1      GLN   3 -11.968  -4.763  -2.450

  No H/Q in entry =           8
  In of MODEL    5
    1    HA   GLU   4           HA       GLU   4  -8.936  -3.925  -1.999
    2    HB2  GLU   4           HB2      GLU   4  -7.999  -1.914  -2.816
    3    HG2  GLU   4           HG2      GLU   4  -8.552   0.317  -2.018
    4    H    GLU   4           HN       GLU   4 -10.886  -2.389  -0.602
    5    HB3  GLU   4           HB1      GLU   4  -9.727  -1.634  -2.759
    6    HG3  GLU   4           HG1      GLU   4  -9.426  -0.383  -0.657

  No H/Q in entry =           6
  In of MODEL    5
    1    HA   THR   5           HA       THR   5  -6.387  -2.455   1.711
    2    HB   THR   5           HB       THR   5  -8.492  -3.502   3.620
    3    HG1  THR   5           HG1      THR   5  -9.168  -1.497   3.178
    4   HG22  THR   5          HG21      THR   5  -6.973  -2.648   5.374
    5   HG21  THR   5          HG22      THR   5  -5.774  -2.288   4.132
    6   HG23  THR   5          HG23      THR   5  -6.251  -3.957   4.438
    7    H    THR   5           HN       THR   5  -9.135  -2.816   1.252

  No H/Q in entry =           7
  In of MODEL    5
    1    HA   ARG   6           HA       ARG   6  -6.415  -7.036   3.103
    2    HB2  ARG   6           HB2      ARG   6  -7.977  -8.857   2.351
    3    HG2  ARG   6           HG2      ARG   6  -9.723  -6.521   1.620
    4    HD2  ARG   6           HD2      ARG   6 -11.083  -8.001   2.904
    5    HE   ARG   6           HE       ARG   6  -9.529 -10.129   1.762
    6   HH11  ARG   6          HH11      ARG   6 -12.571  -9.295   3.241
    7   HH12  ARG   6          HH12      ARG   6 -12.882 -10.901   3.810
    8   HH21  ARG   6          HH21      ARG   6  -9.930 -12.246   2.507
    9   HH22  ARG   6          HH22      ARG   6 -11.382 -12.577   3.392
   10    H    ARG   6           HN       ARG   6  -8.358  -5.283   2.687
   11    HB3  ARG   6           HB1      ARG   6  -8.636  -7.721   3.517
   12    HG3  ARG   6           HG1      ARG   6  -9.187  -7.832   0.564
   13    HD3  ARG   6           HD1      ARG   6 -11.439  -8.292   1.201

  No H/Q in entry =          13
  In of MODEL    5
    1    HA   ASP   7           HA       ASP   7  -5.961  -8.634  -1.260
    2    HB2  ASP   7           HB2      ASP   7  -8.386  -7.461  -2.065
    3    H    ASP   7           HN       ASP   7  -7.949  -6.961  -0.213
    4    HB3  ASP   7           HB1      ASP   7  -7.190  -7.075  -3.291

  No H/Q in entry =           4
  In of MODEL    5
    1    HA   GLN   8           HA       GLN   8  -3.998  -4.988  -3.233
    2    HB2  GLN   8           HB2      GLN   8  -5.649  -2.684  -2.208
    3    HG2  GLN   8           HG2      GLN   8  -7.038  -4.168  -3.569
    4   HE21  GLN   8          HE21      GLN   8  -6.099  -6.041  -4.374
    5   HE22  GLN   8          HE22      GLN   8  -5.409  -6.119  -5.956
    6    H    GLN   8           HN       GLN   8  -6.370  -5.102  -1.572
    7    HB3  GLN   8           HB1      GLN   8  -4.450  -2.636  -3.490
    8    HG3  GLN   8           HG1      GLN   8  -6.724  -2.627  -4.364

  No H/Q in entry =           8
  In of MODEL    5
    1    HA   MET   9           HA       MET   9  -2.462  -2.229   0.349
    2    HB2  MET   9           HB2      MET   9  -4.562  -1.831   1.668
    3    HG2  MET   9           HG2      MET   9  -3.476  -1.455   3.803
    4    HE2  MET   9           HE1      MET   9  -0.119  -0.936   3.510
    5    HE1  MET   9           HE2      MET   9  -1.216   0.122   4.398
    6    HE3  MET   9           HE3      MET   9  -0.184   0.785   3.132
    7    H    MET   9           HN       MET   9  -4.928  -3.297  -0.198
    8    HB3  MET   9           HB1      MET   9  -4.253  -3.351   2.498
    9    HG3  MET   9           HG1      MET   9  -2.138  -2.498   3.325

  No H/Q in entry =           9
  In of MODEL    5
    1    HA   LYS  10           HA       LYS  10  -1.141  -6.125   2.656
    2    HB2  LYS  10           HB2      LYS  10  -3.384  -7.280   2.932
    3    HG2  LYS  10           HG2      LYS  10  -2.471  -9.518   3.309
    4    HD2  LYS  10           HD2      LYS  10  -0.656  -8.918   4.845
    5    HE2  LYS  10           HE2      LYS  10  -2.835  -6.834   4.827
    6    HZ3  LYS  10           HZ1      LYS  10  -1.296  -7.967   7.099
    7    HZ2  LYS  10           HZ2      LYS  10  -2.500  -6.783   7.190
    8    HZ1  LYS  10           HZ3      LYS  10  -1.032  -6.438   6.425
    9    H    LYS  10           HN       LYS  10  -3.579  -5.496   1.386
   10    HB3  LYS  10           HB1      LYS  10  -3.031  -8.119   1.428
   11    HG3  LYS  10           HG1      LYS  10  -1.005  -9.064   2.440
   12    HD3  LYS  10           HD1      LYS  10  -0.568  -7.317   4.110
   13    HE3  LYS  10           HE1      LYS  10  -2.996  -8.461   5.489

  No H/Q in entry =          13
  In of MODEL    5
    1    HA   ASN  11           HA       ASN  11   0.136  -8.208  -1.300
    2    HB2  ASN  11           HB2      ASN  11  -2.102  -8.824  -2.237
    3   HD21  ASN  11          HD21      ASN  11   0.788  -9.201  -2.573
    4   HD22  ASN  11          HD22      ASN  11   1.007  -9.722  -4.205
    5    H    ASN  11           HN       ASN  11  -2.287  -6.764  -0.645
    6    HB3  ASN  11           HB1      ASN  11  -2.090  -7.314  -3.143

  No H/Q in entry =           6
  In of MODEL    5
    1    HA   ALA  12           HA       ALA  12   0.649  -4.485  -4.358
    2    HB3  ALA  12           HB1      ALA  12  -1.517  -3.346  -4.226
    3    HB2  ALA  12           HB2      ALA  12  -0.176  -2.205  -4.119
    4    HB1  ALA  12           HB3      ALA  12  -1.059  -2.665  -2.664
    5    H    ALA  12           HN       ALA  12  -1.391  -5.316  -2.780

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   ALA  13           HA       ALA  13   2.655  -2.162  -0.680
    2    HB1  ALA  13           HB1      ALA  13   2.479  -2.508   1.711
    3    HB2  ALA  13           HB2      ALA  13   1.329  -3.823   1.463
    4    HB3  ALA  13           HB3      ALA  13   0.882  -2.169   1.044
    5    H    ALA  13           HN       ALA  13   0.254  -3.566  -0.939

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   ALA  14           HA       ALA  14   4.384  -6.510   0.856
    2    HB1  ALA  14           HB1      ALA  14   2.437  -7.877  -0.984
    3    HB3  ALA  14           HB2      ALA  14   2.417  -7.907   0.779
    4    HB2  ALA  14           HB3      ALA  14   3.740  -8.672  -0.101
    5    H    ALA  14           HN       ALA  14   1.990  -5.545   0.253

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   GLU  15           HA       GLU  15   5.753  -7.187  -3.636
    2    HB2  GLU  15           HB2      GLU  15   3.360  -5.789  -4.783
    3    HG2  GLU  15           HG2      GLU  15   3.209  -8.185  -4.144
    4    H    GLU  15           HN       GLU  15   3.307  -6.323  -2.597
    5    HB3  GLU  15           HB1      GLU  15   4.757  -6.204  -5.769
    6    HG3  GLU  15           HG1      GLU  15   2.872  -7.841  -5.830

  No H/Q in entry =           6
  In of MODEL    5
    1    HA   ALA  16           HA       ALA  16   6.623  -2.625  -4.057
    2    HB1  ALA  16           HB1      ALA  16   5.001  -1.704  -1.681
    3    HB3  ALA  16           HB2      ALA  16   4.451  -1.644  -3.354
    4    HB2  ALA  16           HB3      ALA  16   5.837  -0.679  -2.848
    5    H    ALA  16           HN       ALA  16   4.892  -4.191  -2.288

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   LYS  17           HA       LYS  17   8.678  -2.876   0.159
    2    HB2  LYS  17           HB2      LYS  17   6.852  -5.114   1.019
    3    HG2  LYS  17           HG2      LYS  17   6.206  -2.729   1.420
    4    HD2  LYS  17           HD2      LYS  17   8.593  -2.856   3.265
    5    HE2  LYS  17           HE2      LYS  17   6.455  -0.743   3.003
    6    HZ2  LYS  17           HZ1      LYS  17   7.648   0.355   4.786
    7    HZ1  LYS  17           HZ2      LYS  17   8.642   0.195   3.428
    8    HZ3  LYS  17           HZ3      LYS  17   8.852  -0.834   4.753
    9    H    LYS  17           HN       LYS  17   6.345  -4.100  -1.002
   10    HB3  LYS  17           HB1      LYS  17   8.349  -4.785   1.883
   11    HG3  LYS  17           HG1      LYS  17   6.307  -3.740   2.864
   12    HD3  LYS  17           HD1      LYS  17   8.379  -1.774   1.888
   13    HE3  LYS  17           HE1      LYS  17   6.679  -1.820   4.380

  No H/Q in entry =          13
  In of MODEL    5
    1    HA   ASP  18           HA       ASP  18  10.435  -7.017  -1.114
    2    HB2  ASP  18           HB2      ASP  18   8.141  -7.703  -2.955
    3    H    ASP  18           HN       ASP  18   7.877  -5.771  -1.596
    4    HB3  ASP  18           HB1      ASP  18   9.639  -8.629  -2.916

  No H/Q in entry =           4
  In of MODEL    5
    1    HA   ASN  19           HA       ASN  19  11.136  -5.371  -5.356
    2    HB2  ASN  19           HB2      ASN  19   8.729  -3.558  -5.377
    3   HD21  ASN  19          HD21      ASN  19  10.457  -6.378  -6.473
    4   HD22  ASN  19          HD22      ASN  19   9.125  -7.120  -7.284
    5    H    ASN  19           HN       ASN  19   9.116  -4.790  -3.289
    6    HB3  ASN  19           HB1      ASN  19   9.966  -3.483  -6.628

  No H/Q in entry =           6
  In of MODEL    5
    1    HA   VAL  20           HA       VAL  20  12.368  -1.080  -4.312
    2    HB   VAL  20           HB       VAL  20  10.076   0.076  -2.760
    3    H    VAL  20           HN       VAL  20   9.858  -2.421  -3.862

  No H/Q in entry =           3
  In of MODEL    5
    1    HA   HIS  21           HA       HIS  21  12.508  -1.207   0.238
    2    HB2  HIS  21           HB2      HIS  21  10.008  -2.000   0.697
    3    HD1  HIS  21           HD1      HIS  21  10.849  -3.370   3.691
    4    HD2  HIS  21           HD2      HIS  21  11.811   0.304   2.003
    5    HE1  HIS  21           HE1      HIS  21  11.417  -1.869   5.627
    6    HE2  HIS  21           HE2      HIS  21  12.093   0.318   4.575
    7    H    HIS  21           HN       HIS  21  10.722  -2.591  -1.576
    8    HB3  HIS  21           HB1      HIS  21  10.845  -3.459   1.219

  No H/Q in entry =           8
  In of MODEL    5
    1    HA   ASP  22           HA       ASP  22  14.014  -5.711   0.301
    2    HB2  ASP  22           HB2      ASP  22  12.748  -6.815  -1.531
    3    H    ASP  22           HN       ASP  22  12.198  -4.393  -1.367
    4    HB3  ASP  22           HB1      ASP  22  13.806  -6.027  -2.702

  No H/Q in entry =           4
  In of MODEL    5
    1    HA   LYS  23           HA       LYS  23  17.504  -3.961  -2.493
    2    HB2  LYS  23           HB2      LYS  23  17.433  -1.906  -3.909
    3    HG2  LYS  23           HG2      LYS  23  14.506  -2.123  -3.324
    4    HD2  LYS  23           HD2      LYS  23  15.083  -2.168  -5.854
    5    HE2  LYS  23           HE2      LYS  23  15.564   0.736  -5.209
    6    HZ1  LYS  23           HZ1      LYS  23  14.380   0.400  -7.289
    7    HZ3  LYS  23           HZ2      LYS  23  15.562  -0.689  -7.815
    8    HZ2  LYS  23           HZ3      LYS  23  15.959   0.937  -7.580
    9    H    LYS  23           HN       LYS  23  14.901  -4.131  -2.946
   10    HB3  LYS  23           HB1      LYS  23  16.484  -3.244  -4.546
   11    HG3  LYS  23           HG1      LYS  23  15.545  -0.697  -3.286
   12    HD3  LYS  23           HD1      LYS  23  13.884  -1.020  -5.256
   13    HE3  LYS  23           HE1      LYS  23  16.793  -0.407  -5.756

  No H/Q in entry =          13
  In of MODEL    5
    1    HA   ILE  24           HA       ILE  24  16.937   0.204  -0.216
    2    HB   ILE  24           HB       ILE  24  14.164  -0.510   0.676
    3   HD13  ILE  24          HD11      ILE  24  12.803   2.166  -1.356
    4   HD12  ILE  24          HD12      ILE  24  13.213   2.595   0.305
    5   HD11  ILE  24          HD13      ILE  24  12.474   1.032  -0.048
    6    H    ILE  24           HN       ILE  24  15.099  -1.677  -1.121

  No H/Q in entry =           6
  In of MODEL    5
    1    HA   GLN  25           HA       GLN  25  16.407  -1.686   4.257
    2    HB2  GLN  25           HB2      GLN  25  16.026  -4.471   3.137
    3    HG2  GLN  25           HG2      GLN  25  14.043  -2.524   4.217
    4   HE21  GLN  25          HE21      GLN  25  11.955  -4.458   3.617
    5   HE22  GLN  25          HE22      GLN  25  11.865  -5.513   4.983
    6    H    GLN  25           HN       GLN  25  15.160  -2.058   1.935
    7    HB3  GLN  25           HB1      GLN  25  16.098  -4.026   4.836
    8    HG3  GLN  25           HG1      GLN  25  13.903  -3.645   2.862

  No H/Q in entry =           8
  In of MODEL    5
    1    HA   GLU  26           HA       GLU  26  20.111  -4.431   2.908
    2    HB2  GLU  26           HB2      GLU  26  19.263  -5.583   0.934
    3    HG2  GLU  26           HG2      GLU  26  21.229  -5.685  -0.455
    4    H    GLU  26           HN       GLU  26  17.605  -3.889   1.872
    5    HB3  GLU  26           HB1      GLU  26  19.414  -4.111  -0.017
    6    HG3  GLU  26           HG1      GLU  26  21.818  -4.165   0.214

  No H/Q in entry =           6
  In of MODEL    5
    1    HA   LEU  27           HA       LEU  27  22.114  -0.702   0.996
    2    HB2  LEU  27           HB2      LEU  27  20.191   0.015  -1.189
    3    HG   LEU  27           HG       LEU  27  20.947  -2.403  -1.354
    4   HD11  LEU  27          HD11      LEU  27  20.283  -0.799  -3.229
    5   HD13  LEU  27          HD12      LEU  27  21.165  -2.261  -3.670
    6   HD12  LEU  27          HD13      LEU  27  22.007  -0.712  -3.589
    7   HD23  LEU  27          HD21      LEU  27  23.616  -1.082  -1.841
    8   HD22  LEU  27          HD22      LEU  27  23.245  -2.791  -2.072
    9   HD21  LEU  27          HD23      LEU  27  23.204  -2.089  -0.454
   10    H    LEU  27           HN       LEU  27  19.592  -1.995   0.333
   11    HB3  LEU  27           HB1      LEU  27  21.883   0.445  -1.067

  No H/Q in entry =          11
  In of MODEL    5
    1    HA   LYS  28           HA       LYS  28  19.422   3.152   1.163
    2    HB2  LYS  28           HB2      LYS  28  16.903   1.863   0.165
    3    HG2  LYS  28           HG2      LYS  28  17.614   3.603  -1.737
    4    HD2  LYS  28           HD2      LYS  28  18.691   0.794  -1.590
    5    HE2  LYS  28           HE2      LYS  28  17.678   2.416  -3.921
    6    HZ3  LYS  28           HZ1      LYS  28  19.115  -0.178  -3.906
    7    HZ2  LYS  28           HZ2      LYS  28  18.485   0.630  -5.252
    8    HZ1  LYS  28           HZ3      LYS  28  17.441  -0.027  -4.094
    9    H    LYS  28           HN       LYS  28  18.806   0.437   0.421
   10    HB3  LYS  28           HB1      LYS  28  17.110   3.575   0.439
   11    HG3  LYS  28           HG1      LYS  28  19.209   3.095  -1.173
   12    HD3  LYS  28           HD1      LYS  28  17.008   1.189  -1.943
   13    HE3  LYS  28           HE1      LYS  28  19.379   2.151  -3.542

  No H/Q in entry =          13
  In of MODEL    5
    1    HA   ASP  29           HA       ASP  29  16.138   1.136   4.372
    2    HB2  ASP  29           HB2      ASP  29  17.058   0.095   6.355
    3    H    ASP  29           HN       ASP  29  18.404   0.570   3.071
    4    HB3  ASP  29           HB1      ASP  29  17.632  -0.729   4.914

  No H/Q in entry =           4
  In of MODEL    5
    1    HA   ASP  30           HA       ASP  30  17.789   4.477   7.053
    2    HB2  ASP  30           HB2      ASP  30  20.201   4.311   6.972
    3    H    ASP  30           HN       ASP  30  18.890   3.324   4.596
    4    HB3  ASP  30           HB1      ASP  30  20.250   5.202   5.454

  No H/Q in entry =           4
  In of MODEL    5
    1    HA   VAL  31           HA       VAL  31  17.024   8.145   4.334
    2    HB   VAL  31           HB       VAL  31  19.185   8.949   3.898
    3    H    VAL  31           HN       VAL  31  19.101   6.149   4.271

  No H/Q in entry =           3
  In of MODEL    5
    1    HA3  GLY  32           HA2      GLY  32  16.317   6.663  -0.188
    2    H    GLY  32           HN       GLY  32  18.244   6.149   1.767
    3    HA2  GLY  32           HA1      GLY  32  17.238   5.171  -0.102

  No H/Q in entry =           3
  In of MODEL    5
    1    HA   ASN  33           HA       ASN  33  14.091   2.999   2.138
    2    HB2  ASN  33           HB2      ASN  33  13.563   2.939   4.433
    3   HD21  ASN  33          HD21      ASN  33  14.525   6.148   3.473
    4   HD22  ASN  33          HD22      ASN  33  13.940   6.956   4.882
    5    H    ASN  33           HN       ASN  33  15.975   4.925   2.693
    6    HB3  ASN  33           HB1      ASN  33  15.248   3.445   4.344

  No H/Q in entry =           6
  In of MODEL    5
    1    HA   LYS  34           HA       LYS  34  10.754   6.145   2.146
    2    HB2  LYS  34           HB2      LYS  34  12.503   8.198   1.892
    3    HG2  LYS  34           HG2      LYS  34  10.329   8.397   2.974
    4    HD2  LYS  34           HD2      LYS  34   9.158   8.856   0.244
    5    HE2  LYS  34           HE2      LYS  34   7.042   8.687   1.404
    6    HZ3  LYS  34           HZ1      LYS  34   7.189  10.653   2.800
    7    HZ2  LYS  34           HZ2      LYS  34   8.066  10.872   1.371
    8    HZ1  LYS  34           HZ3      LYS  34   8.878  10.546   2.818
    9    H    LYS  34           HN       LYS  34  13.565   6.192   1.452
   10    HB3  LYS  34           HB1      LYS  34  11.732   8.235   0.315
   11    HG3  LYS  34           HG1      LYS  34  10.633   9.741   1.874
   12    HD3  LYS  34           HD1      LYS  34   9.051   7.307   1.082
   13    HE3  LYS  34           HE1      LYS  34   7.876   8.344   2.921

  No H/Q in entry =          13
  In of MODEL    5
    1    HA   ALA  35           HA       ALA  35  11.368   5.913  -2.796
    2    HB2  ALA  35           HB1      ALA  35  13.407   3.900  -1.973
    3    HB1  ALA  35           HB2      ALA  35  13.525   5.203  -3.157
    4    HB3  ALA  35           HB3      ALA  35  12.605   3.748  -3.537
    5    H    ALA  35           HN       ALA  35  12.853   5.732  -0.582

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   ALA  36           HA       ALA  36   9.270   1.730  -2.089
    2    HB1  ALA  36           HB1      ALA  36  10.708   0.929  -0.069
    3    HB2  ALA  36           HB2      ALA  36   9.102   0.233  -0.305
    4    HB3  ALA  36           HB3      ALA  36   9.352   1.501   0.900
    5    H    ALA  36           HN       ALA  36  11.128   3.186  -0.507

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   GLU  37           HA       GLU  37   6.002   3.576   1.004
    2    HB2  GLU  37           HB2      GLU  37   7.900   5.787   1.788
    3    HG2  GLU  37           HG2      GLU  37   8.279   3.580   2.890
    4    H    GLU  37           HN       GLU  37   8.667   3.403   1.019
    5    HB3  GLU  37           HB1      GLU  37   6.216   5.678   2.286
    6    HG3  GLU  37           HG1      GLU  37   7.871   4.903   3.981

  No H/Q in entry =           6
  In of MODEL    5
    1    HA   VAL  38           HA       VAL  38   6.166   7.219  -1.997
    2    HB   VAL  38           HB       VAL  38   8.605   6.189  -3.459
    3    H    VAL  38           HN       VAL  38   8.040   5.151  -1.289

  No H/Q in entry =           3
  In of MODEL    5
    1    HA   ARG  39           HA       ARG  39   5.609   4.264  -5.771
    2    HB2  ARG  39           HB2      ARG  39   7.540   2.707  -5.402
    3    HG2  ARG  39           HG2      ARG  39   5.509   2.271  -7.026
    4    HD2  ARG  39           HD2      ARG  39   5.392  -0.043  -5.099
    5    HE   ARG  39           HE       ARG  39   4.743  -0.004  -7.861
    6   HH11  ARG  39          HH11      ARG  39   3.605  -1.160  -4.774
    7   HH12  ARG  39          HH12      ARG  39   2.748  -2.504  -5.451
    8   HH21  ARG  39          HH21      ARG  39   3.621  -1.771  -8.756
    9   HH22  ARG  39          HH22      ARG  39   2.758  -2.853  -7.714
   10    H    ARG  39           HN       ARG  39   7.365   4.287  -3.648
   11    HB3  ARG  39           HB1      ARG  39   6.541   1.803  -4.277
   12    HG3  ARG  39           HG1      ARG  39   6.791   1.083  -6.795
   13    HD3  ARG  39           HD1      ARG  39   4.102   1.112  -5.428

  No H/Q in entry =          13
  In of MODEL    5
    1    HA   ASP  40           HA       ASP  40   2.500   2.150  -2.931
    2    HB2  ASP  40           HB2      ASP  40   3.869   1.494  -1.004
    3    H    ASP  40           HN       ASP  40   5.037   3.405  -2.440
    4    HB3  ASP  40           HB1      ASP  40   3.755   3.127  -0.354

  No H/Q in entry =           4
  In of MODEL    5
    1    HA   ALA  41           HA       ALA  41   1.355   6.576  -1.362
    2    HB1  ALA  41           HB1      ALA  41   3.413   7.811  -3.187
    3    HB2  ALA  41           HB2      ALA  41   3.581   7.640  -1.440
    4    HB3  ALA  41           HB3      ALA  41   2.312   8.667  -2.107
    5    H    ALA  41           HN       ALA  41   3.659   5.356  -2.395

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   VAL  42           HA       VAL  42   0.248   7.601  -5.916
    2    HB   VAL  42           HB       VAL  42   0.963   6.236  -7.972
    3    H    VAL  42           HN       VAL  42   2.496   6.425  -4.738

  No H/Q in entry =           3
  In of MODEL    5
    1    HA   SER  43           HA       SER  43  -1.190   3.010  -6.555
    2    HB2  SER  43           HB2      SER  43   0.728   1.735  -5.651
    3    HG   SER  43           HG       SER  43  -0.670   0.168  -4.412
    4    H    SER  43           HN       SER  43   1.027   4.204  -5.366
    5    HB3  SER  43           HB1      SER  43   0.203   2.123  -4.012

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   SER  44           HA       SER  44  -3.248   3.455  -2.143
    2    HB2  SER  44           HB2      SER  44  -1.443   4.315  -0.771
    3    HG   SER  44           HG       SER  44  -3.933   5.148  -0.595
    4    H    SER  44           HN       SER  44  -0.789   4.000  -3.188
    5    HB3  SER  44           HB1      SER  44  -1.517   5.875  -1.589

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   THR  45           HA       THR  45  -4.724   7.767  -3.770
    2    HB   THR  45           HB       THR  45  -3.032   7.589  -6.273
    3    HG1  THR  45           HG1      THR  45  -1.626   8.765  -5.214
    4   HG21  THR  45          HG21      THR  45  -4.924   9.733  -5.298
    5   HG23  THR  45          HG22      THR  45  -5.174   8.672  -6.684
    6   HG22  THR  45          HG23      THR  45  -3.874   9.863  -6.709
    7    H    THR  45           HN       THR  45  -2.382   6.282  -4.106

  No H/Q in entry =           7
  In of MODEL    5
    1    HA   VAL  46           HA       VAL  46  -6.446   5.261  -7.393
    2    HB   VAL  46           HB       VAL  46  -4.483   2.967  -7.185
    3    H    VAL  46           HN       VAL  46  -3.972   5.107  -5.918

  No H/Q in entry =           3
  In of MODEL    5
    1    HA   GLU  47           HA       GLU  47  -7.260   1.196  -4.745
    2    HB2  GLU  47           HB2      GLU  47  -4.955   2.058  -3.109
    3    HG2  GLU  47           HG2      GLU  47  -5.932  -0.728  -3.453
    4    H    GLU  47           HN       GLU  47  -5.143   2.718  -5.316
    5    HB3  GLU  47           HB1      GLU  47  -6.258   1.212  -2.284
    6    HG3  GLU  47           HG1      GLU  47  -5.122   0.086  -4.794

  No H/Q in entry =           6
  In of MODEL    5
    1    HA   SER  48           HA       SER  48  -9.034   4.231  -1.740
    2    HB2  SER  48           HB2      SER  48  -7.199   5.851  -1.457
    3    HG   SER  48           HG       SER  48  -9.359   7.554  -1.748
    4    H    SER  48           HN       SER  48  -7.094   4.507  -3.884
    5    HB3  SER  48           HB1      SER  48  -7.763   6.732  -2.877

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   ILE  49           HA       ILE  49 -11.523   6.900  -4.772
    2    HB   ILE  49           HB       ILE  49 -11.174   7.149  -7.283
    3   HD13  ILE  49          HD11      ILE  49  -9.644   4.482  -7.442
    4   HD12  ILE  49          HD12      ILE  49  -8.514   5.100  -8.649
    5   HD11  ILE  49          HD13      ILE  49 -10.219   5.543  -8.728
    6    H    ILE  49           HN       ILE  49  -8.830   6.173  -4.719

  No H/Q in entry =           6
  In of MODEL    5
    1    HA   LYS  50           HA       LYS  50 -12.170   3.022  -7.207
    2    HB2  LYS  50           HB2      LYS  50 -11.071   0.816  -7.110
    3    HG2  LYS  50           HG2      LYS  50  -8.720   1.873  -5.725
    4    HD2  LYS  50           HD2      LYS  50  -9.008  -0.552  -4.754
    5    HE2  LYS  50           HE2      LYS  50  -7.237   0.191  -6.321
    6    HZ3  LYS  50           HZ1      LYS  50  -7.549  -0.206  -8.680
    7    HZ2  LYS  50           HZ2      LYS  50  -8.631   0.970  -8.129
    8    HZ1  LYS  50           HZ3      LYS  50  -9.174  -0.604  -8.427
    9    H    LYS  50           HN       LYS  50 -10.070   3.882  -5.453
   10    HB3  LYS  50           HB1      LYS  50  -9.975   2.116  -7.555
   11    HG3  LYS  50           HG1      LYS  50 -10.084   1.469  -4.690
   12    HD3  LYS  50           HD1      LYS  50 -10.104  -0.726  -6.126
   13    HE3  LYS  50           HE1      LYS  50  -7.792  -1.454  -6.632

  No H/Q in entry =          13
  In of MODEL    5
    1    HA   ASP  51           HA       ASP  51 -13.777   0.598  -3.706
    2    HB2  ASP  51           HB2      ASP  51 -11.189   0.212  -2.499
    3    H    ASP  51           HN       ASP  51 -11.172   1.815  -3.924
    4    HB3  ASP  51           HB1      ASP  51 -12.461   0.254  -1.278

  No H/Q in entry =           4
  In of MODEL    5
    1    HA   LYS  52           HA       LYS  52 -14.185   3.559  -0.144
    2    HB2  LYS  52           HB2      LYS  52 -11.792   4.281   0.180
    3    HG2  LYS  52           HG2      LYS  52 -14.111   6.058   0.781
    4    HD2  LYS  52           HD2      LYS  52 -12.532   7.328   2.295
    5    HE2  LYS  52           HE2      LYS  52 -11.768   8.856   0.525
    6    HZ2  LYS  52           HZ1      LYS  52 -14.087   8.950   1.185
    7    HZ1  LYS  52           HZ2      LYS  52 -14.491   7.777   0.037
    8    HZ3  LYS  52           HZ3      LYS  52 -13.928   9.291  -0.465
    9    H    LYS  52           HN       LYS  52 -12.086   3.264  -2.079
   10    HB3  LYS  52           HB1      LYS  52 -12.136   5.642  -0.881
   11    HG3  LYS  52           HG1      LYS  52 -13.129   5.078   1.873
   12    HD3  LYS  52           HD1      LYS  52 -11.213   6.646   1.342
   13    HE3  LYS  52           HE1      LYS  52 -12.184   7.642  -0.683

  No H/Q in entry =          13
  In of MODEL    5
    1    HA   LEU  53           HA       LEU  53 -15.555   6.966  -3.055
    2    HB2  LEU  53           HB2      LEU  53 -13.259   6.481  -4.838
    3    HG   LEU  53           HG       LEU  53 -13.260   8.902  -5.118
    4   HD12  LEU  53          HD11      LEU  53 -15.759   8.861  -3.432
    5   HD11  LEU  53          HD12      LEU  53 -15.695   9.197  -5.161
    6   HD13  LEU  53          HD13      LEU  53 -14.919  10.297  -4.020
    7   HD22  LEU  53          HD21      LEU  53 -12.119   8.047  -3.182
    8   HD21  LEU  53          HD22      LEU  53 -13.627   7.987  -2.271
    9   HD23  LEU  53          HD23      LEU  53 -12.943   9.544  -2.742
   10    H    LEU  53           HN       LEU  53 -13.286   5.186  -3.150
   11    HB3  LEU  53           HB1      LEU  53 -14.713   7.015  -5.642

  No H/Q in entry =          11
  In of MODEL    5
    1    HA   SER  54           HA       SER  54 -16.386   3.095  -5.952
    2    HB2  SER  54           HB2      SER  54 -15.381   1.444  -4.459
    3    HG   SER  54           HG       SER  54 -17.296   0.945  -5.901
    4    H    SER  54           HN       SER  54 -15.044   3.789  -3.747
    5    HB3  SER  54           HB1      SER  54 -16.654   1.722  -3.273

  No H/Q in entry =           5
  In of MODEL    5
    1    HA3  GLY  55           HA2      GLY  55 -20.043   5.223  -3.416
    2    H    GLY  55           HN       GLY  55 -17.901   3.809  -2.820
    3    HA2  GLY  55           HA1      GLY  55 -20.556   3.662  -4.038

  No H/Q in entry =           3
  In of MODEL    5
    1    HA3  GLY  56           HA2      GLY  56 -19.981   3.103   0.675
    2    H    GLY  56           HN       GLY  56 -18.988   2.324  -1.835
    3    HA2  GLY  56           HA1      GLY  56 -21.108   1.953  -0.030

  No H/Q in entry =           3
  In of MODEL    5
    1    HA   SER  57           HA       SER  57 -17.106  -0.225   1.114
    2    HB2  SER  57           HB2      SER  57 -15.507   0.305   2.904
    3    HG   SER  57           HG       SER  57 -15.948   2.650   3.681
    4    H    SER  57           HN       SER  57 -18.279   2.330   1.756
    5    HB3  SER  57           HB1      SER  57 -15.689   1.670   1.802

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   SER  58           HA       SER  58 -18.729  -2.238   4.686
    2    HB2  SER  58           HB2      SER  58 -20.623  -3.650   3.977
    3    HG   SER  58           HG       SER  58 -20.614  -2.936   1.371
    4    H    SER  58           HN       SER  58 -17.605  -2.129   2.004
    5    HB3  SER  58           HB1      SER  58 -20.706  -2.041   3.260

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   SER  59           HA       SER  59 -17.128  -6.411   2.967
    2    HB2  SER  59           HB2      SER  59 -15.287  -5.001   1.027
    3    HG   SER  59           HG       SER  59 -17.415  -6.828   0.593
    4    H    SER  59           HN       SER  59 -17.197  -3.769   1.970
    5    HB3  SER  59           HB1      SER  59 -15.263  -6.737   1.341

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   ARG  60           HA       ARG  60 -13.154  -5.931   5.034
    2    HB2  ARG  60           HB2      ARG  60 -11.878  -6.473   2.930
    3    HG2  ARG  60           HG2      ARG  60  -9.649  -6.063   3.891
    4    HD2  ARG  60           HD2      ARG  60 -11.732  -6.977   5.869
    5    HE   ARG  60           HE       ARG  60  -8.925  -6.862   6.192
    6   HH11  ARG  60          HH11      ARG  60 -11.659  -8.962   6.698
    7   HH12  ARG  60          HH12      ARG  60 -10.931  -9.804   8.025
    8   HH21  ARG  60          HH21      ARG  60  -7.954  -7.971   7.935
    9   HH22  ARG  60          HH22      ARG  60  -8.825  -9.242   8.726
   10    H    ARG  60           HN       ARG  60 -13.962  -5.088   2.388
   11    HB3  ARG  60           HB1      ARG  60 -11.397  -4.788   2.884
   12    HG3  ARG  60           HG1      ARG  60 -10.401  -5.051   5.123
   13    HD3  ARG  60           HD1      ARG  60 -10.934  -7.983   4.662

  No H/Q in entry =          13
  In of MODEL    5
    1    HA   ALA  61           HA       ALA  61 -13.337  -1.127   4.798
    2    HB3  ALA  61           HB1      ALA  61 -15.395  -0.127   5.583
    3    HB1  ALA  61           HB2      ALA  61 -16.076  -1.722   5.908
    4    HB2  ALA  61           HB3      ALA  61 -15.730  -1.230   4.249
    5    H    ALA  61           HN       ALA  61 -14.785  -3.482   4.501

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   SER  62           HA       SER  62 -13.626  -2.218   9.448
    2    HB2  SER  62           HB2      SER  62 -12.809  -5.076   8.872
    3    HG   SER  62           HG       SER  62 -15.096  -4.764  10.238
    4    H    SER  62           HN       SER  62 -13.728  -3.674   7.013
    5    HB3  SER  62           HB1      SER  62 -13.054  -4.385  10.475

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   SER  63           HA       SER  63  -9.168  -1.986   8.958
    2    HB2  SER  63           HB2      SER  63  -8.997  -3.543   6.369
    3    HG   SER  63           HG       SER  63  -9.071  -5.230   7.607
    4    H    SER  63           HN       SER  63 -11.350  -2.520   7.054
    5    HB3  SER  63           HB1      SER  63  -7.612  -3.073   7.355

  No H/Q in entry =           5
  In of MODEL    5
    1    HA   TYR  64           HA       TYR  64  -9.215   1.497   6.187
    2    HB2  TYR  64           HB2      TYR  64  -8.954   2.728   8.938
    3    HD1  TYR  64           HD1      TYR  64 -10.721   1.564  10.069
    4    HD2  TYR  64           HD2      TYR  64 -11.437   3.448   6.322
    5    HE1  TYR  64           HE1      TYR  64 -13.142   1.322  10.418
    6    HE2  TYR  64           HE2      TYR  64 -13.863   3.211   6.660
    7    HH   TYR  64           HH       TYR  64 -15.224   2.348   9.657
    8    H    TYR  64           HN       TYR  64  -9.226   0.222   8.792
    9    HB3  TYR  64           HB1      TYR  64  -9.247   3.596   7.435

  No H/Q in entry =           9
  In of MODEL    5
    1    HA   THR  65           HA       THR  65  -4.925   2.460   6.621
    2    HB   THR  65           HB       THR  65  -3.722   1.434   4.777
    3    HG1  THR  65           HG1      THR  65  -4.693   1.212   2.914
    4   HG23  THR  65          HG21      THR  65  -4.432  -0.015   6.588
    5   HG22  THR  65          HG22      THR  65  -4.529  -0.883   5.056
    6   HG21  THR  65          HG23      THR  65  -5.996  -0.260   5.810
    7    H    THR  65           HN       THR  65  -7.470   2.342   5.166

  No H/Q in entry =           7
  In of MODEL    5
    1    HA   LEU  66           HA       LEU  66  -4.406   5.139   2.763
    2    HB2  LEU  66           HB2      LEU  66  -7.081   4.960   1.444
    3    HG   LEU  66           HG       LEU  66  -6.501   2.629   1.430
    4   HD11  LEU  66          HD11      LEU  66  -7.078   3.984  -0.753
    5   HD13  LEU  66          HD12      LEU  66  -6.683   2.269  -0.817
    6   HD12  LEU  66          HD13      LEU  66  -5.459   3.472  -1.223
    7   HD23  LEU  66          HD21      LEU  66  -4.322   1.859   0.532
    8   HD22  LEU  66          HD22      LEU  66  -4.181   2.727   2.061
    9   HD21  LEU  66          HD23      LEU  66  -3.763   3.532   0.546
   10    H    LEU  66           HN       LEU  66  -6.148   2.999   3.304
   11    HB3  LEU  66           HB1      LEU  66  -5.533   5.404   0.755

  No H/Q in entry =          11
  In of MODEL    5
    1    HA   GLU  67           HA       GLU  67  -8.118   7.898   3.897
    2    HB2  GLU  67           HB2      GLU  67 -10.021   6.364   3.905
    3    HG2  GLU  67           HG2      GLU  67  -9.986   7.920   6.479
    4    H    GLU  67           HN       GLU  67  -7.778   5.089   3.867
    5    HB3  GLU  67           HB1      GLU  67  -9.548   5.757   5.486
    6    HG3  GLU  67           HG1      GLU  67 -10.376   8.590   4.896

  No H/Q in entry =           6
  In of MODEL    6
    1    H1   MET   1           HT3      MET   1  -8.710   0.557   3.873
    2    H2   MET   1           HT2      MET   1  -8.473   2.223   3.702
    3    H3   MET   1           HT1      MET   1  -9.624   1.641   4.796
    4    HB3  MET   1           HB1      MET   1  -9.708   0.411   1.049
    5    HG3  MET   1           HG1      MET   1 -11.207   2.441   0.526
    6    HA   MET   1           HA       MET   1 -10.736   2.453   2.861
    7    HB2  MET   1           HB2      MET   1  -8.507   1.605   1.525
    8    HG2  MET   1           HG2      MET   1  -9.907   2.022  -0.590
    9    HE2  MET   1           HE1      MET   1  -9.653   4.100   2.939
   10    HE1  MET   1           HE2      MET   1 -11.194   4.419   2.146
   11    HE3  MET   1           HE3      MET   1  -9.967   5.684   2.230

  No H/Q in entry =          11
  In of MODEL    6
    1    HA   ASP   2           HA       ASP   2 -13.339  -0.963   2.965
    2    HB2  ASP   2           HB2      ASP   2 -14.407   0.312   1.147
    3    H    ASP   2           HN       ASP   2 -11.683   0.454   1.046
    4    HB3  ASP   2           HB1      ASP   2 -13.605  -0.714  -0.037

  No H/Q in entry =           4
  In of MODEL    6
    1    HA   GLN   3           HA       GLN   3 -12.089  -4.870   1.164
    2    HB2  GLN   3           HB2      GLN   3 -14.060  -4.896  -0.392
    3    HG2  GLN   3           HG2      GLN   3 -11.709  -6.532  -1.316
    4   HE21  GLN   3          HE21      GLN   3 -12.409  -6.623  -3.450
    5   HE22  GLN   3          HE22      GLN   3 -13.836  -7.481  -3.912
    6    H    GLN   3           HN       GLN   3 -13.182  -2.497  -0.055
    7    HB3  GLN   3           HB1      GLN   3 -12.959  -4.468  -1.693
    8    HG3  GLN   3           HG1      GLN   3 -12.819  -6.964  -0.016

  No H/Q in entry =           8
  In of MODEL    6
    1    HA   GLU   4           HA       GLU   4  -8.872  -3.771  -1.938
    2    HB2  GLU   4           HB2      GLU   4  -7.870  -1.763  -2.693
    3    HG2  GLU   4           HG2      GLU   4  -8.439   0.459  -1.885
    4    H    GLU   4           HN       GLU   4 -10.805  -2.222  -0.527
    5    HB3  GLU   4           HB1      GLU   4  -9.599  -1.472  -2.687
    6    HG3  GLU   4           HG1      GLU   4  -9.356  -0.256  -0.562

  No H/Q in entry =           6
  In of MODEL    6
    1    HA   THR   5           HA       THR   5  -6.347  -2.466   1.843
    2    HB   THR   5           HB       THR   5  -8.454  -3.605   3.695
    3    HG1  THR   5           HG1      THR   5  -9.237  -1.641   3.561
    4   HG21  THR   5          HG21      THR   5  -5.805  -2.269   4.261
    5   HG23  THR   5          HG22      THR   5  -6.186  -3.974   4.502
    6   HG22  THR   5          HG23      THR   5  -6.988  -2.745   5.479
    7    H    THR   5           HN       THR   5  -9.093  -2.783   1.331

  No H/Q in entry =           7
  In of MODEL    6
    1    HA   ARG   6           HA       ARG   6  -6.458  -7.099   3.050
    2    HB2  ARG   6           HB2      ARG   6  -8.038  -8.861   2.196
    3    HG2  ARG   6           HG2      ARG   6  -9.735  -6.464   1.554
    4    HD2  ARG   6           HD2      ARG   6 -11.088  -8.028   2.796
    5    HE   ARG   6           HE       ARG   6  -9.550 -10.056   1.700
    6   HH11  ARG   6          HH11      ARG   6 -12.934  -9.351   2.146
    7   HH12  ARG   6          HH12      ARG   6 -13.398 -11.015   2.272
    8   HH21  ARG   6          HH21      ARG   6 -10.153 -12.252   1.864
    9   HH22  ARG   6          HH22      ARG   6 -11.817 -12.663   2.113
   10    H    ARG   6           HN       ARG   6  -8.370  -5.297   2.682
   11    HB3  ARG   6           HB1      ARG   6  -8.693  -7.770   3.406
   12    HG3  ARG   6           HG1      ARG   6  -9.213  -7.736   0.446
   13    HD3  ARG   6           HD1      ARG   6 -11.510  -8.115   1.085

  No H/Q in entry =          13
  In of MODEL    6
    1    HA   ASP   7           HA       ASP   7  -5.990  -8.508  -1.381
    2    HB2  ASP   7           HB2      ASP   7  -8.393  -7.274  -2.141
    3    H    ASP   7           HN       ASP   7  -7.961  -6.866  -0.275
    4    HB3  ASP   7           HB1      ASP   7  -7.193  -6.835  -3.342

  No H/Q in entry =           4
  In of MODEL    6
    1    HA   GLN   8           HA       GLN   8  -3.918  -4.844  -3.195
    2    HB2  GLN   8           HB2      GLN   8  -5.878  -2.760  -2.305
    3    HG2  GLN   8           HG2      GLN   8  -6.130  -2.311  -4.644
    4   HE21  GLN   8          HE21      GLN   8  -5.198  -5.632  -4.962
    5   HE22  GLN   8          HE22      GLN   8  -6.788  -6.302  -4.885
    6    H    GLN   8           HN       GLN   8  -6.323  -4.944  -1.575
    7    HB3  GLN   8           HB1      GLN   8  -4.326  -2.301  -2.982
    8    HG3  GLN   8           HG1      GLN   8  -4.827  -3.429  -5.040

  No H/Q in entry =           8
  In of MODEL    6
    1    HA   MET   9           HA       MET   9  -2.419  -2.217   0.522
    2    HB2  MET   9           HB2      MET   9  -4.508  -1.909   1.860
    3    HG2  MET   9           HG2      MET   9  -3.456  -1.701   4.029
    4    HE1  MET   9           HE1      MET   9  -1.059  -0.327   4.756
    5    HE3  MET   9           HE2      MET   9  -0.038   0.441   3.541
    6    HE2  MET   9           HE3      MET   9  -0.026  -1.313   3.720
    7    H    MET   9           HN       MET   9  -4.866  -3.262  -0.109
    8    HB3  MET   9           HB1      MET   9  -4.226  -3.493   2.572
    9    HG3  MET   9           HG1      MET   9  -2.128  -2.737   3.510

  No H/Q in entry =           9
  In of MODEL    6
    1    HA   LYS  10           HA       LYS  10  -1.024  -6.251   2.508
    2    HB2  LYS  10           HB2      LYS  10  -3.141  -7.467   2.897
    3    HG2  LYS  10           HG2      LYS  10  -1.004  -9.261   1.758
    4    HD2  LYS  10           HD2      LYS  10  -1.875 -10.870   3.428
    5    HE2  LYS  10           HE2      LYS  10  -3.934 -11.474   2.230
    6    HZ2  LYS  10           HZ1      LYS  10  -1.818 -12.001   1.195
    7    HZ1  LYS  10           HZ2      LYS  10  -1.790 -10.495   0.425
    8    HZ3  LYS  10           HZ3      LYS  10  -2.978 -11.630   0.020
    9    H    LYS  10           HN       LYS  10  -3.493  -5.568   1.300
   10    HB3  LYS  10           HB1      LYS  10  -3.067  -8.080   1.250
   11    HG3  LYS  10           HG1      LYS  10  -1.027  -8.615   3.400
   12    HD3  LYS  10           HD1      LYS  10  -3.197  -9.754   3.771
   13    HE3  LYS  10           HE1      LYS  10  -3.913  -9.906   1.424

  No H/Q in entry =          13
  In of MODEL    6
    1    HA   ASN  11           HA       ASN  11   0.111  -8.208  -1.588
    2    HB2  ASN  11           HB2      ASN  11  -2.325  -8.447  -2.501
    3   HD21  ASN  11          HD21      ASN  11  -1.311 -10.421  -2.814
    4   HD22  ASN  11          HD22      ASN  11  -0.416 -10.779  -4.247
    5    H    ASN  11           HN       ASN  11  -2.275  -6.823  -0.780
    6    HB3  ASN  11           HB1      ASN  11  -1.891  -7.076  -3.519

  No H/Q in entry =           6
  In of MODEL    6
    1    HA   ALA  12           HA       ALA  12   0.732  -4.270  -4.333
    2    HB3  ALA  12           HB1      ALA  12  -1.388  -3.067  -4.115
    3    HB2  ALA  12           HB2      ALA  12  -0.012  -1.985  -3.902
    4    HB1  ALA  12           HB3      ALA  12  -0.924  -2.537  -2.498
    5    H    ALA  12           HN       ALA  12  -1.333  -5.157  -2.817

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   ALA  13           HA       ALA  13   2.807  -2.333  -0.457
    2    HB1  ALA  13           HB1      ALA  13   2.660  -2.981   1.885
    3    HB2  ALA  13           HB2      ALA  13   1.443  -4.195   1.490
    4    HB3  ALA  13           HB3      ALA  13   1.079  -2.481   1.286
    5    H    ALA  13           HN       ALA  13   0.377  -3.646  -0.847

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   ALA  14           HA       ALA  14   4.457  -6.862   0.577
    2    HB3  ALA  14           HB1      ALA  14   2.426  -8.175   0.293
    3    HB2  ALA  14           HB2      ALA  14   3.781  -8.888  -0.582
    4    HB1  ALA  14           HB3      ALA  14   2.544  -7.985  -1.456
    5    H    ALA  14           HN       ALA  14   2.091  -5.784   0.095

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   GLU  15           HA       GLU  15   5.891  -7.039  -3.942
    2    HB2  GLU  15           HB2      GLU  15   3.529  -5.512  -5.001
    3    HG2  GLU  15           HG2      GLU  15   3.311  -7.949  -4.517
    4    H    GLU  15           HN       GLU  15   3.418  -6.318  -2.857
    5    HB3  GLU  15           HB1      GLU  15   4.927  -5.913  -5.992
    6    HG3  GLU  15           HG1      GLU  15   2.967  -7.466  -6.169

  No H/Q in entry =           6
  In of MODEL    6
    1    HA   ALA  16           HA       ALA  16   6.703  -2.441  -3.976
    2    HB3  ALA  16           HB1      ALA  16   4.511  -1.562  -3.209
    3    HB2  ALA  16           HB2      ALA  16   5.878  -0.611  -2.626
    4    HB1  ALA  16           HB3      ALA  16   5.062  -1.738  -1.542
    5    H    ALA  16           HN       ALA  16   4.988  -4.160  -2.339

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   LYS  17           HA       LYS  17   8.744  -2.849   0.220
    2    HB2  LYS  17           HB2      LYS  17   6.914  -5.095   1.046
    3    HG2  LYS  17           HG2      LYS  17   6.213  -2.745   1.448
    4    HD2  LYS  17           HD2      LYS  17   8.622  -2.761   3.273
    5    HE2  LYS  17           HE2      LYS  17   7.902  -0.496   3.896
    6    HZ1  LYS  17           HZ1      LYS  17   5.809  -2.541   4.404
    7    HZ3  LYS  17           HZ2      LYS  17   6.042  -1.123   5.297
    8    HZ2  LYS  17           HZ3      LYS  17   7.223  -2.334   5.309
    9    H    LYS  17           HN       LYS  17   6.414  -4.043  -0.963
   10    HB3  LYS  17           HB1      LYS  17   8.397  -4.756   1.929
   11    HG3  LYS  17           HG1      LYS  17   6.369  -3.723   2.910
   12    HD3  LYS  17           HD1      LYS  17   8.380  -1.730   1.862
   13    HE3  LYS  17           HE1      LYS  17   6.430  -0.713   2.950

  No H/Q in entry =          13
  In of MODEL    6
    1    HA   ASP  18           HA       ASP  18  10.481  -6.998  -1.050
    2    HB2  ASP  18           HB2      ASP  18   8.455  -8.352  -1.438
    3    H    ASP  18           HN       ASP  18   7.940  -5.733  -1.550
    4    HB3  ASP  18           HB1      ASP  18   8.333  -7.692  -3.066

  No H/Q in entry =           4
  In of MODEL    6
    1    HA   ASN  19           HA       ASN  19  11.241  -5.432  -5.304
    2    HB2  ASN  19           HB2      ASN  19   8.962  -4.931  -6.117
    3   HD21  ASN  19          HD21      ASN  19   8.835  -2.336  -7.437
    4   HD22  ASN  19          HD22      ASN  19  10.073  -2.353  -8.642
    5    H    ASN  19           HN       ASN  19   9.228  -4.749  -3.253
    6    HB3  ASN  19           HB1      ASN  19   9.092  -3.309  -5.441

  No H/Q in entry =           6
  In of MODEL    6
    1    HA   VAL  20           HA       VAL  20  12.634  -1.182  -4.331
    2    HB   VAL  20           HB       VAL  20  10.335   0.129  -2.910
    3    H    VAL  20           HN       VAL  20  10.051  -2.395  -3.918

  No H/Q in entry =           3
  In of MODEL    6
    1    HA   HIS  21           HA       HIS  21  12.597  -1.165   0.219
    2    HB2  HIS  21           HB2      HIS  21  10.040  -1.833   0.590
    3    HD1  HIS  21           HD1      HIS  21  11.460   0.440   1.653
    4    HD2  HIS  21           HD2      HIS  21  11.125  -3.048   3.885
    5    HE1  HIS  21           HE1      HIS  21  11.837   1.132   4.041
    6    HE2  HIS  21           HE2      HIS  21  11.576  -0.986   5.380
    7    H    HIS  21           HN       HIS  21  10.833  -2.549  -1.621
    8    HB3  HIS  21           HB1      HIS  21  10.798  -3.291   1.225

  No H/Q in entry =           8
  In of MODEL    6
    1    HA   ASP  22           HA       ASP  22  13.872  -5.722   0.501
    2    HB2  ASP  22           HB2      ASP  22  12.640  -6.831  -1.346
    3    H    ASP  22           HN       ASP  22  12.218  -4.371  -1.307
    4    HB3  ASP  22           HB1      ASP  22  13.782  -6.135  -2.494

  No H/Q in entry =           4
  In of MODEL    6
    1    HA   LYS  23           HA       LYS  23  17.571  -4.278  -2.095
    2    HB2  LYS  23           HB2      LYS  23  17.667  -2.246  -3.649
    3    HG2  LYS  23           HG2      LYS  23  15.256  -2.421  -4.918
    4    HD2  LYS  23           HD2      LYS  23  14.888  -0.192  -3.437
    5    HE2  LYS  23           HE2      LYS  23  16.009   1.013  -5.156
    6    HZ2  LYS  23           HZ1      LYS  23  15.200  -0.068  -7.146
    7    HZ1  LYS  23           HZ2      LYS  23  14.058  -0.206  -5.907
    8    HZ3  LYS  23           HZ3      LYS  23  15.022  -1.533  -6.320
    9    H    LYS  23           HN       LYS  23  14.954  -4.249  -2.732
   10    HB3  LYS  23           HB1      LYS  23  16.949  -3.721  -4.285
   11    HG3  LYS  23           HG1      LYS  23  14.783  -2.430  -3.219
   12    HD3  LYS  23           HD1      LYS  23  16.621  -0.444  -3.217
   13    HE3  LYS  23           HE1      LYS  23  17.005  -0.383  -5.567

  No H/Q in entry =          13
  In of MODEL    6
    1    HA   ILE  24           HA       ILE  24  17.038   0.097  -0.205
    2    HB   ILE  24           HB       ILE  24  14.229  -0.525   0.645
    3   HD13  ILE  24          HD11      ILE  24  12.989   2.109  -1.468
    4   HD12  ILE  24          HD12      ILE  24  13.359   2.620   0.179
    5   HD11  ILE  24          HD13      ILE  24  12.618   1.046  -0.113
    6    H    ILE  24           HN       ILE  24  15.190  -1.798  -1.044

  No H/Q in entry =           6
  In of MODEL    6
    1    HA   GLN  25           HA       GLN  25  16.433  -1.662   4.327
    2    HB2  GLN  25           HB2      GLN  25  16.038  -4.453   3.221
    3    HG2  GLN  25           HG2      GLN  25  14.102  -2.513   4.396
    4   HE21  GLN  25          HE21      GLN  25  12.261  -3.192   5.440
    5   HE22  GLN  25          HE22      GLN  25  12.116  -4.750   6.174
    6    H    GLN  25           HN       GLN  25  15.218  -2.081   1.995
    7    HB3  GLN  25           HB1      GLN  25  16.171  -4.027   4.920
    8    HG3  GLN  25           HG1      GLN  25  13.908  -3.612   3.029

  No H/Q in entry =           8
  In of MODEL    6
    1    HA   GLU  26           HA       GLU  26  20.153  -4.445   3.049
    2    HB2  GLU  26           HB2      GLU  26  19.565  -4.077   0.106
    3    HG2  GLU  26           HG2      GLU  26  18.063  -5.713   1.115
    4    H    GLU  26           HN       GLU  26  17.666  -3.900   1.988
    5    HB3  GLU  26           HB1      GLU  26  20.949  -4.931   0.774
    6    HG3  GLU  26           HG1      GLU  26  19.221  -6.469   0.022

  No H/Q in entry =           6
  In of MODEL    6
    1    HA   LEU  27           HA       LEU  27  22.212  -0.700   1.233
    2    HB2  LEU  27           HB2      LEU  27  20.353  -0.110  -1.048
    3    HG   LEU  27           HG       LEU  27  22.700  -1.949  -0.864
    4   HD12  LEU  27          HD11      LEU  27  21.309  -3.129  -2.605
    5   HD11  LEU  27          HD12      LEU  27  20.054  -1.928  -2.286
    6   HD13  LEU  27          HD13      LEU  27  20.593  -3.006  -0.999
    7   HD22  LEU  27          HD21      LEU  27  23.469  -0.232  -2.396
    8   HD21  LEU  27          HD22      LEU  27  21.962  -0.342  -3.306
    9   HD23  LEU  27          HD23      LEU  27  23.078  -1.708  -3.280
   10    H    LEU  27           HN       LEU  27  19.701  -1.982   0.482
   11    HB3  LEU  27           HB1      LEU  27  21.944   0.583  -0.814

  No H/Q in entry =          11
  In of MODEL    6
    1    HA   LYS  28           HA       LYS  28  19.472   3.132   1.252
    2    HB2  LYS  28           HB2      LYS  28  17.014   1.758   0.228
    3    HG2  LYS  28           HG2      LYS  28  17.664   3.413  -1.719
    4    HD2  LYS  28           HD2      LYS  28  18.930   0.701  -1.346
    5    HE2  LYS  28           HE2      LYS  28  18.054   2.054  -3.889
    6    HZ2  LYS  28           HZ1      LYS  28  19.383   0.323  -4.914
    7    HZ1  LYS  28           HZ2      LYS  28  18.162  -0.359  -3.965
    8    HZ3  LYS  28           HZ3      LYS  28  19.754  -0.331  -3.398
    9    H    LYS  28           HN       LYS  28  18.921   0.400   0.547
   10    HB3  LYS  28           HB1      LYS  28  17.164   3.479   0.469
   11    HG3  LYS  28           HG1      LYS  28  19.283   3.095  -1.093
   12    HD3  LYS  28           HD1      LYS  28  17.280   0.990  -1.898
   13    HE3  LYS  28           HE1      LYS  28  19.715   2.083  -3.298

  No H/Q in entry =          13
  In of MODEL    6
    1    HA   ASP  29           HA       ASP  29  16.150   1.121   4.426
    2    HB2  ASP  29           HB2      ASP  29  17.074   0.155   6.466
    3    H    ASP  29           HN       ASP  29  18.439   0.556   3.169
    4    HB3  ASP  29           HB1      ASP  29  17.614  -0.725   5.042

  No H/Q in entry =           4
  In of MODEL    6
    1    HA   ASP  30           HA       ASP  30  17.744   4.550   7.046
    2    HB2  ASP  30           HB2      ASP  30  20.185   4.364   6.893
    3    H    ASP  30           HN       ASP  30  18.857   3.345   4.621
    4    HB3  ASP  30           HB1      ASP  30  20.173   5.341   5.427

  No H/Q in entry =           4
  In of MODEL    6
    1    HA   VAL  31           HA       VAL  31  16.902   8.081   4.195
    2    HB   VAL  31           HB       VAL  31  18.232   8.970   2.153
    3    H    VAL  31           HN       VAL  31  19.035   6.128   4.197

  No H/Q in entry =           3
  In of MODEL    6
    1    HA3  GLY  32           HA2      GLY  32  16.354   6.523  -0.337
    2    H    GLY  32           HN       GLY  32  18.237   6.049   1.659
    3    HA2  GLY  32           HA1      GLY  32  17.255   5.023  -0.193

  No H/Q in entry =           3
  In of MODEL    6
    1    HA   ASN  33           HA       ASN  33  14.035   2.950   2.068
    2    HB2  ASN  33           HB2      ASN  33  13.433   3.057   4.367
    3   HD21  ASN  33          HD21      ASN  33  13.247   4.092   6.344
    4   HD22  ASN  33          HD22      ASN  33  13.280   5.814   6.488
    5    H    ASN  33           HN       ASN  33  15.945   4.866   2.578
    6    HB3  ASN  33           HB1      ASN  33  15.158   3.416   4.262

  No H/Q in entry =           6
  In of MODEL    6
    1    HA   LYS  34           HA       LYS  34  10.786   6.212   1.895
    2    HB2  LYS  34           HB2      LYS  34  11.989   8.296   2.042
    3    HG2  LYS  34           HG2      LYS  34  10.732   9.717   0.527
    4    HD2  LYS  34           HD2      LYS  34   8.973   7.408   1.321
    5    HE2  LYS  34           HE2      LYS  34   7.865   9.166   0.075
    6    HZ3  LYS  34           HZ1      LYS  34   7.763  11.410   0.962
    7    HZ2  LYS  34           HZ2      LYS  34   9.356  11.001   0.568
    8    HZ1  LYS  34           HZ3      LYS  34   8.860  11.004   2.185
    9    H    LYS  34           HN       LYS  34  13.610   6.122   1.256
   10    HB3  LYS  34           HB1      LYS  34  12.559   8.124   0.386
   11    HG3  LYS  34           HG1      LYS  34  10.290   8.306  -0.430
   12    HD3  LYS  34           HD1      LYS  34   9.590   8.592   2.480
   13    HE3  LYS  34           HE1      LYS  34   7.339   9.171   1.757

  No H/Q in entry =          13
  In of MODEL    6
    1    HA   ALA  35           HA       ALA  35  11.319   5.885  -3.014
    2    HB3  ALA  35           HB1      ALA  35  12.621   3.906  -3.914
    3    HB2  ALA  35           HB2      ALA  35  13.376   3.812  -2.321
    4    HB1  ALA  35           HB3      ALA  35  13.566   5.263  -3.303
    5    H    ALA  35           HN       ALA  35  12.894   5.748  -0.850

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   ALA  36           HA       ALA  36   9.357   1.677  -2.153
    2    HB1  ALA  36           HB1      ALA  36  10.859   1.030  -0.085
    3    HB2  ALA  36           HB2      ALA  36   9.323   0.203  -0.366
    4    HB3  ALA  36           HB3      ALA  36   9.428   1.497   0.832
    5    H    ALA  36           HN       ALA  36  11.164   3.266  -0.615

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   GLU  37           HA       GLU  37   6.034   3.452   0.905
    2    HB2  GLU  37           HB2      GLU  37   7.811   5.763   1.690
    3    HG2  GLU  37           HG2      GLU  37   6.842   3.400   3.280
    4    H    GLU  37           HN       GLU  37   8.704   3.368   0.947
    5    HB3  GLU  37           HB1      GLU  37   6.145   5.533   2.204
    6    HG3  GLU  37           HG1      GLU  37   8.512   3.804   2.882

  No H/Q in entry =           6
  In of MODEL    6
    1    HA   VAL  38           HA       VAL  38   6.157   7.122  -2.093
    2    HB   VAL  38           HB       VAL  38   8.515   5.999  -3.616
    3    H    VAL  38           HN       VAL  38   8.031   5.077  -1.390

  No H/Q in entry =           3
  In of MODEL    6
    1    HA   ARG  39           HA       ARG  39   5.440   4.062  -5.779
    2    HB2  ARG  39           HB2      ARG  39   6.503   2.139  -6.137
    3    HG2  ARG  39           HG2      ARG  39   6.161   0.124  -4.613
    4    HD2  ARG  39           HD2      ARG  39   4.029  -0.387  -5.550
    5    HE   ARG  39           HE       ARG  39   5.969   0.775  -7.216
    6   HH11  ARG  39          HH11      ARG  39   2.605  -0.129  -7.228
    7   HH12  ARG  39          HH12      ARG  39   2.547  -0.390  -8.938
    8   HH21  ARG  39          HH21      ARG  39   5.903   0.432  -9.470
    9   HH22  ARG  39          HH22      ARG  39   4.423  -0.072 -10.214
   10    H    ARG  39           HN       ARG  39   7.203   4.099  -3.676
   11    HB3  ARG  39           HB1      ARG  39   7.171   2.204  -4.517
   12    HG3  ARG  39           HG1      ARG  39   4.961   1.114  -3.784
   13    HD3  ARG  39           HD1      ARG  39   3.653   1.320  -5.770

  No H/Q in entry =          13
  In of MODEL    6
    1    HA   ASP  40           HA       ASP  40   2.177   2.161  -2.990
    2    HB2  ASP  40           HB2      ASP  40   3.469   1.340  -1.071
    3    H    ASP  40           HN       ASP  40   4.801   3.156  -2.433
    4    HB3  ASP  40           HB1      ASP  40   3.453   2.950  -0.359

  No H/Q in entry =           4
  In of MODEL    6
    1    HA   ALA  41           HA       ALA  41   1.353   6.619  -1.305
    2    HB2  ALA  41           HB1      ALA  41   3.622   7.561  -1.444
    3    HB3  ALA  41           HB2      ALA  41   2.404   8.656  -2.098
    4    HB1  ALA  41           HB3      ALA  41   3.431   7.726  -3.189
    5    H    ALA  41           HN       ALA  41   3.542   5.266  -2.417

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   VAL  42           HA       VAL  42   0.125   7.735  -5.792
    2    HB   VAL  42           HB       VAL  42   0.780   6.446  -7.911
    3    H    VAL  42           HN       VAL  42   2.379   6.454  -4.712

  No H/Q in entry =           3
  In of MODEL    6
    1    HA   SER  43           HA       SER  43  -1.374   3.185  -6.560
    2    HB2  SER  43           HB2      SER  43  -0.977   1.218  -5.208
    3    HG   SER  43           HG       SER  43   0.355   1.306  -3.391
    4    H    SER  43           HN       SER  43   0.854   4.326  -5.338
    5    HB3  SER  43           HB1      SER  43   0.586   1.913  -5.636

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   SER  44           HA       SER  44  -3.425   3.548  -2.141
    2    HB2  SER  44           HB2      SER  44  -1.603   4.389  -0.759
    3    HG   SER  44           HG       SER  44  -3.246   4.882   0.460
    4    H    SER  44           HN       SER  44  -0.959   4.098  -3.166
    5    HB3  SER  44           HB1      SER  44  -1.711   5.968  -1.536

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   THR  45           HA       THR  45  -4.861   7.888  -3.741
    2    HB   THR  45           HB       THR  45  -3.196   7.700  -6.263
    3    HG1  THR  45           HG1      THR  45  -2.797   9.008  -3.802
    4   HG22  THR  45          HG21      THR  45  -3.963  10.002  -6.643
    5   HG21  THR  45          HG22      THR  45  -4.960   9.907  -5.192
    6   HG23  THR  45          HG23      THR  45  -5.318   8.875  -6.577
    7    H    THR  45           HN       THR  45  -2.526   6.387  -4.064

  No H/Q in entry =           7
  In of MODEL    6
    1    HA   VAL  46           HA       VAL  46  -6.568   5.337  -7.339
    2    HB   VAL  46           HB       VAL  46  -4.626   3.027  -7.124
    3    H    VAL  46           HN       VAL  46  -4.096   5.217  -5.857

  No H/Q in entry =           3
  In of MODEL    6
    1    HA   GLU  47           HA       GLU  47  -7.323   1.287  -4.660
    2    HB2  GLU  47           HB2      GLU  47  -5.045   2.186  -2.997
    3    HG2  GLU  47           HG2      GLU  47  -4.625  -0.230  -2.868
    4    H    GLU  47           HN       GLU  47  -5.224   2.826  -5.241
    5    HB3  GLU  47           HB1      GLU  47  -6.341   1.294  -2.208
    6    HG3  GLU  47           HG1      GLU  47  -6.065  -0.510  -3.847

  No H/Q in entry =           6
  In of MODEL    6
    1    HA   SER  48           HA       SER  48  -9.131   4.330  -1.682
    2    HB2  SER  48           HB2      SER  48  -7.845   6.814  -2.839
    3    HG   SER  48           HG       SER  48  -6.419   6.636  -1.264
    4    H    SER  48           HN       SER  48  -7.176   4.606  -3.812
    5    HB3  SER  48           HB1      SER  48  -8.922   6.783  -1.443

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   ILE  49           HA       ILE  49 -11.631   6.930  -4.769
    2    HB   ILE  49           HB       ILE  49 -11.261   7.166  -7.274
    3   HD12  ILE  49          HD11      ILE  49  -8.593   5.131  -8.622
    4   HD11  ILE  49          HD12      ILE  49 -10.303   5.559  -8.694
    5   HD13  ILE  49          HD13      ILE  49  -9.711   4.507  -7.408
    6    H    ILE  49           HN       ILE  49  -8.928   6.239  -4.677

  No H/Q in entry =           6
  In of MODEL    6
    1    HA   LYS  50           HA       LYS  50 -12.207   3.017  -7.162
    2    HB2  LYS  50           HB2      LYS  50 -11.075   0.831  -7.041
    3    HG2  LYS  50           HG2      LYS  50  -8.804   1.980  -5.571
    4    HD2  LYS  50           HD2      LYS  50  -8.881  -0.463  -4.712
    5    HE2  LYS  50           HE2      LYS  50  -8.356   0.102  -7.633
    6    HZ1  LYS  50           HZ1      LYS  50  -7.226  -1.950  -5.810
    7    HZ3  LYS  50           HZ2      LYS  50  -6.683  -1.642  -7.382
    8    HZ2  LYS  50           HZ3      LYS  50  -8.246  -2.237  -7.129
    9    H    LYS  50           HN       LYS  50 -10.142   3.922  -5.384
   10    HB3  LYS  50           HB1      LYS  50  -9.988   2.143  -7.472
   11    HG3  LYS  50           HG1      LYS  50 -10.173   1.443  -4.612
   12    HD3  LYS  50           HD1      LYS  50 -10.008  -0.705  -6.049
   13    HE3  LYS  50           HE1      LYS  50  -7.225   0.435  -6.321

  No H/Q in entry =          13
  In of MODEL    6
    1    HA   ASP  51           HA       ASP  51 -13.772   0.553  -3.654
    2    HB2  ASP  51           HB2      ASP  51 -11.176   0.294  -2.425
    3    H    ASP  51           HN       ASP  51 -11.215   1.849  -3.865
    4    HB3  ASP  51           HB1      ASP  51 -12.460   0.273  -1.215

  No H/Q in entry =           4
  In of MODEL    6
    1    HA   LYS  52           HA       LYS  52 -14.334   3.514  -0.113
    2    HB2  LYS  52           HB2      LYS  52 -11.916   4.277   0.203
    3    HG2  LYS  52           HG2      LYS  52 -13.994   4.950   1.621
    4    HD2  LYS  52           HD2      LYS  52 -14.573   6.802  -0.040
    5    HE2  LYS  52           HE2      LYS  52 -12.326   7.727  -0.287
    6    HZ1  LYS  52           HZ1      LYS  52 -11.541   7.391   1.979
    7    HZ3  LYS  52           HZ2      LYS  52 -12.613   8.571   2.545
    8    HZ2  LYS  52           HZ3      LYS  52 -11.352   9.005   1.504
    9    H    LYS  52           HN       LYS  52 -12.184   3.271  -2.006
   10    HB3  LYS  52           HB1      LYS  52 -12.352   5.682  -0.761
   11    HG3  LYS  52           HG1      LYS  52 -12.456   5.784   1.836
   12    HD3  LYS  52           HD1      LYS  52 -14.561   7.222   1.673
   13    HE3  LYS  52           HE1      LYS  52 -13.459   8.935   0.317

  No H/Q in entry =          13
  In of MODEL    6
    1    HA   LEU  53           HA       LEU  53 -15.715   6.831  -3.089
    2    HB2  LEU  53           HB2      LEU  53 -13.350   6.397  -4.801
    3    HG   LEU  53           HG       LEU  53 -13.330   8.818  -4.998
    4   HD12  LEU  53          HD11      LEU  53 -15.912   8.740  -3.443
    5   HD11  LEU  53          HD12      LEU  53 -15.751   9.143  -5.152
    6   HD13  LEU  53          HD13      LEU  53 -15.032  10.191  -3.928
    7   HD22  LEU  53          HD21      LEU  53 -12.310   7.860  -3.017
    8   HD21  LEU  53          HD22      LEU  53 -13.862   7.880  -2.182
    9   HD23  LEU  53          HD23      LEU  53 -13.075   9.399  -2.619
   10    H    LEU  53           HN       LEU  53 -13.433   5.043  -3.142
   11    HB3  LEU  53           HB1      LEU  53 -14.785   6.950  -5.628

  No H/Q in entry =          11
  In of MODEL    6
    1    HA   SER  54           HA       SER  54 -16.333   2.968  -6.052
    2    HB2  SER  54           HB2      SER  54 -15.398   1.326  -4.500
    3    HG   SER  54           HG       SER  54 -18.133   0.783  -5.011
    4    H    SER  54           HN       SER  54 -15.102   3.673  -3.804
    5    HB3  SER  54           HB1      SER  54 -16.743   1.589  -3.394

  No H/Q in entry =           5
  In of MODEL    6
    1    HA3  GLY  55           HA2      GLY  55 -20.066   5.191  -3.362
    2    H    GLY  55           HN       GLY  55 -17.981   3.916  -3.074
    3    HA2  GLY  55           HA1      GLY  55 -20.506   4.031  -4.606

  No H/Q in entry =           3
  In of MODEL    6
    1    HA3  GLY  56           HA2      GLY  56 -21.409   1.747  -0.783
    2    H    GLY  56           HN       GLY  56 -19.498   1.755  -3.019
    3    HA2  GLY  56           HA1      GLY  56 -21.519   0.494  -2.010

  No H/Q in entry =           3
  In of MODEL    6
    1    HA   SER  57           HA       SER  57 -17.252  -0.282  -0.070
    2    HB2  SER  57           HB2      SER  57 -16.059   0.889   1.764
    3    HG   SER  57           HG       SER  57 -16.921   3.063   2.208
    4    H    SER  57           HN       SER  57 -18.844   2.005  -0.202
    5    HB3  SER  57           HB1      SER  57 -16.355   1.940   0.379

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   SER  58           HA       SER  58 -18.669  -2.338   3.498
    2    HB2  SER  58           HB2      SER  58 -20.731  -3.105   1.419
    3    HG   SER  58           HG       SER  58 -21.476  -1.539   3.526
    4    H    SER  58           HN       SER  58 -18.049  -2.159   0.682
    5    HB3  SER  58           HB1      SER  58 -20.835  -3.501   3.134

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   SER  59           HA       SER  59 -17.111  -6.324   2.889
    2    HB2  SER  59           HB2      SER  59 -15.183  -4.923   1.029
    3    HG   SER  59           HG       SER  59 -16.953  -4.989  -0.125
    4    H    SER  59           HN       SER  59 -16.606  -3.495   3.156
    5    HB3  SER  59           HB1      SER  59 -15.253  -6.670   1.256

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   ARG  60           HA       ARG  60 -13.119  -6.007   4.993
    2    HB2  ARG  60           HB2      ARG  60 -11.867  -6.484   2.897
    3    HG2  ARG  60           HG2      ARG  60  -9.609  -6.051   3.753
    4    HD2  ARG  60           HD2      ARG  60 -11.543  -6.936   5.890
    5    HE   ARG  60           HE       ARG  60  -8.772  -6.772   6.047
    6   HH11  ARG  60          HH11      ARG  60 -11.261  -9.183   6.427
    7   HH12  ARG  60          HH12      ARG  60 -10.360 -10.118   7.572
    8   HH21  ARG  60          HH21      ARG  60  -7.579  -8.000   7.553
    9   HH22  ARG  60          HH22      ARG  60  -8.267  -9.446   8.212
   10    H    ARG  60           HN       ARG  60 -13.950  -4.871   2.447
   11    HB3  ARG  60           HB1      ARG  60 -11.417  -4.793   2.830
   12    HG3  ARG  60           HG1      ARG  60 -10.305  -5.030   5.008
   13    HD3  ARG  60           HD1      ARG  60 -10.885  -7.963   4.617

  No H/Q in entry =          13
  In of MODEL    6
    1    HA   ALA  61           HA       ALA  61 -13.195  -1.191   5.079
    2    HB1  ALA  61           HB1      ALA  61 -15.945  -1.807   6.150
    3    HB3  ALA  61           HB2      ALA  61 -15.585  -1.177   4.543
    4    HB2  ALA  61           HB3      ALA  61 -15.228  -0.206   5.972
    5    H    ALA  61           HN       ALA  61 -14.701  -3.489   4.641

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   SER  62           HA       SER  62 -13.478  -2.602   9.649
    2    HB2  SER  62           HB2      SER  62 -12.618  -5.393   8.853
    3    HG   SER  62           HG       SER  62 -14.728  -5.450   8.548
    4    H    SER  62           HN       SER  62 -13.586  -3.873   7.119
    5    HB3  SER  62           HB1      SER  62 -12.855  -4.830  10.507

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   SER  63           HA       SER  63  -9.051  -2.155   9.152
    2    HB2  SER  63           HB2      SER  63  -7.445  -3.255   7.603
    3    HG   SER  63           HG       SER  63  -8.596  -4.801   6.130
    4    H    SER  63           HN       SER  63 -11.204  -2.701   7.227
    5    HB3  SER  63           HB1      SER  63  -8.629  -4.377   8.274

  No H/Q in entry =           5
  In of MODEL    6
    1    HA   TYR  64           HA       TYR  64  -9.144   1.252   6.285
    2    HB2  TYR  64           HB2      TYR  64  -9.126   3.405   7.599
    3    HD1  TYR  64           HD1      TYR  64  -7.475   3.786   9.328
    4    HD2  TYR  64           HD2      TYR  64 -10.805   1.233  10.031
    5    HE1  TYR  64           HE1      TYR  64  -7.009   3.854  11.742
    6    HE2  TYR  64           HE2      TYR  64 -10.349   1.294  12.447
    7    HH   TYR  64           HH       TYR  64  -8.250   3.522  13.866
    8    H    TYR  64           HN       TYR  64  -9.220   0.049   8.918
    9    HB3  TYR  64           HB1      TYR  64 -10.522   2.372   7.888

  No H/Q in entry =           9
  In of MODEL    6
    1    HA   THR  65           HA       THR  65  -4.913   2.419   6.841
    2    HB   THR  65           HB       THR  65  -3.601   1.374   5.106
    3    HG1  THR  65           HG1      THR  65  -4.419   0.889   3.197
    4   HG23  THR  65          HG21      THR  65  -4.350  -0.949   5.344
    5   HG22  THR  65          HG22      THR  65  -5.913  -0.381   5.930
    6   HG21  THR  65          HG23      THR  65  -4.455  -0.076   6.873
    7    H    THR  65           HN       THR  65  -7.408   2.182   5.316

  No H/Q in entry =           7
  In of MODEL    6
    1    HA   LEU  66           HA       LEU  66  -4.452   4.971   2.852
    2    HB2  LEU  66           HB2      LEU  66  -7.213   4.766   1.711
    3    HG   LEU  66           HG       LEU  66  -6.610   2.454   1.655
    4   HD11  LEU  66          HD11      LEU  66  -7.261   3.799  -0.522
    5   HD13  LEU  66          HD12      LEU  66  -6.875   2.082  -0.577
    6   HD12  LEU  66          HD13      LEU  66  -5.660   3.274  -1.037
    7   HD22  LEU  66          HD21      LEU  66  -4.269   2.582   2.206
    8   HD21  LEU  66          HD22      LEU  66  -3.911   3.372   0.671
    9   HD23  LEU  66          HD23      LEU  66  -4.456   1.695   0.693
   10    H    LEU  66           HN       LEU  66  -6.158   2.858   3.522
   11    HB3  LEU  66           HB1      LEU  66  -5.724   5.237   0.917

  No H/Q in entry =          11
  In of MODEL    6
    1    HA   GLU  67           HA       GLU  67  -8.100   7.852   3.999
    2    HB2  GLU  67           HB2      GLU  67 -10.000   6.297   4.183
    3    HG2  GLU  67           HG2      GLU  67  -9.812   8.121   6.569
    4    H    GLU  67           HN       GLU  67  -7.831   5.066   3.980
    5    HB3  GLU  67           HB1      GLU  67  -9.460   5.832   5.790
    6    HG3  GLU  67           HG1      GLU  67 -10.361   8.582   4.958

  No H/Q in entry =           6
  In of MODEL    7
    1    H1   MET   1           HT2      MET   1 -12.480   3.323   4.037
    2    H2   MET   1           HT1      MET   1 -11.044   2.500   4.391
    3    H3   MET   1           HT3      MET   1 -11.000   3.928   3.484
    4    HB3  MET   1           HB1      MET   1 -10.263   0.889   1.664
    5    HG3  MET   1           HG1      MET   1 -10.879   2.449  -0.164
    6    HA   MET   1           HA       MET   1 -12.228   2.861   1.703
    7    HB2  MET   1           HB2      MET   1  -9.559   2.234   2.548
    8    HG2  MET   1           HG2      MET   1  -9.134   2.305   0.104
    9    HE2  MET   1           HE1      MET   1  -8.694   5.649   2.362
   10    HE1  MET   1           HE2      MET   1  -8.029   4.045   2.060
   11    HE3  MET   1           HE3      MET   1  -9.478   4.225   3.044

  No H/Q in entry =          11
  In of MODEL    7
    1    HA   ASP   2           HA       ASP   2 -14.018  -0.940   2.598
    2    HB2  ASP   2           HB2      ASP   2 -15.091   0.009   0.600
    3    H    ASP   2           HN       ASP   2 -12.354   0.546   0.713
    4    HB3  ASP   2           HB1      ASP   2 -14.037  -0.968  -0.416

  No H/Q in entry =           4
  In of MODEL    7
    1    HA   GLN   3           HA       GLN   3 -12.103  -4.757   1.381
    2    HB2  GLN   3           HB2      GLN   3 -12.582  -6.250  -0.486
    3    HG2  GLN   3           HG2      GLN   3 -13.917  -3.891  -1.787
    4   HE21  GLN   3          HE21      GLN   3 -13.254  -5.196  -4.322
    5   HE22  GLN   3          HE22      GLN   3 -14.410  -6.465  -4.516
    6    H    GLN   3           HN       GLN   3 -13.475  -2.744  -0.167
    7    HB3  GLN   3           HB1      GLN   3 -14.034  -5.432   0.074
    8    HG3  GLN   3           HG1      GLN   3 -12.412  -4.630  -2.331

  No H/Q in entry =           8
  In of MODEL    7
    1    HA   GLU   4           HA       GLU   4  -9.193  -3.719  -2.132
    2    HB2  GLU   4           HB2      GLU   4  -8.337  -1.698  -2.903
    3    HG2  GLU   4           HG2      GLU   4  -7.549  -0.542  -1.059
    4    H    GLU   4           HN       GLU   4 -11.121  -2.278  -0.678
    5    HB3  GLU   4           HB1      GLU   4 -10.012  -1.305  -2.561
    6    HG3  GLU   4           HG1      GLU   4  -8.833   0.480  -1.695

  No H/Q in entry =           6
  In of MODEL    7
    1    HA   THR   5           HA       THR   5  -6.487  -2.584   1.610
    2    HB   THR   5           HB       THR   5  -8.606  -3.626   3.508
    3    HG1  THR   5           HG1      THR   5  -8.984  -1.564   4.015
    4   HG21  THR   5          HG21      THR   5  -5.822  -2.570   4.011
    5   HG23  THR   5          HG22      THR   5  -6.380  -4.225   4.254
    6   HG22  THR   5          HG23      THR   5  -7.009  -2.925   5.266
    7    H    THR   5           HN       THR   5  -9.257  -2.735   1.158

  No H/Q in entry =           7
  In of MODEL    7
    1    HA   ARG   6           HA       ARG   6  -6.933  -7.268   2.851
    2    HB2  ARG   6           HB2      ARG   6  -9.276  -7.690   1.002
    3    HG2  ARG   6           HG2      ARG   6  -9.335  -7.641   4.009
    4    HD2  ARG   6           HD2      ARG   6 -11.010  -9.107   3.248
    5    HE   ARG   6           HE       ARG   6 -11.010  -7.719   0.851
    6   HH11  ARG   6          HH11      ARG   6 -13.367  -9.015   3.066
    7   HH12  ARG   6          HH12      ARG   6 -14.543  -9.328   1.833
    8   HH21  ARG   6          HH21      ARG   6 -12.551  -8.129  -0.779
    9   HH22  ARG   6          HH22      ARG   6 -14.079  -8.826  -0.352
   10    H    ARG   6           HN       ARG   6  -8.630  -5.314   2.420
   11    HB3  ARG   6           HB1      ARG   6  -8.559  -8.863   2.098
   12    HG3  ARG   6           HG1      ARG   6  -9.906  -6.326   2.984
   13    HD3  ARG   6           HD1      ARG   6 -11.824  -7.568   3.553

  No H/Q in entry =          13
  In of MODEL    7
    1    HA   ASP   7           HA       ASP   7  -6.022  -8.566  -1.484
    2    HB2  ASP   7           HB2      ASP   7  -8.218  -8.507  -2.520
    3    H    ASP   7           HN       ASP   7  -8.136  -6.930  -0.551
    4    HB3  ASP   7           HB1      ASP   7  -7.915  -6.853  -3.013

  No H/Q in entry =           4
  In of MODEL    7
    1    HA   GLN   8           HA       GLN   8  -4.152  -4.825  -3.401
    2    HB2  GLN   8           HB2      GLN   8  -5.757  -2.586  -2.170
    3    HG2  GLN   8           HG2      GLN   8  -7.121  -4.013  -3.686
    4   HE21  GLN   8          HE21      GLN   8  -5.611  -1.921  -6.016
    5   HE22  GLN   8          HE22      GLN   8  -5.150  -3.159  -7.130
    6    H    GLN   8           HN       GLN   8  -6.533  -5.048  -1.783
    7    HB3  GLN   8           HB1      GLN   8  -4.564  -2.448  -3.452
    8    HG3  GLN   8           HG1      GLN   8  -6.915  -2.348  -4.230

  No H/Q in entry =           8
  In of MODEL    7
    1    HA   MET   9           HA       MET   9  -2.572  -2.426   0.445
    2    HB2  MET   9           HB2      MET   9  -4.689  -2.216   1.809
    3    HG2  MET   9           HG2      MET   9  -2.385  -1.543   2.633
    4    HE1  MET   9           HE1      MET   9  -1.000  -1.657   5.110
    5    HE3  MET   9           HE2      MET   9  -0.112  -1.994   3.623
    6    HE2  MET   9           HE3      MET   9   0.113  -3.023   5.036
    7    H    MET   9           HN       MET   9  -5.044  -3.381  -0.244
    8    HB3  MET   9           HB1      MET   9  -4.337  -3.812   2.459
    9    HG3  MET   9           HG1      MET   9  -3.628  -1.822   3.848

  No H/Q in entry =           9
  In of MODEL    7
    1    HA   LYS  10           HA       LYS  10  -1.327  -6.625   2.300
    2    HB2  LYS  10           HB2      LYS  10  -3.453  -7.839   2.476
    3    HG2  LYS  10           HG2      LYS  10  -1.313  -9.531   1.202
    4    HD2  LYS  10           HD2      LYS  10  -2.314 -11.325   2.606
    5    HE2  LYS  10           HE2      LYS  10  -4.233 -11.770   1.172
    6    HZ1  LYS  10           HZ1      LYS  10  -2.006 -10.483  -0.312
    7    HZ3  LYS  10           HZ2      LYS  10  -3.146 -11.539  -0.981
    8    HZ2  LYS  10           HZ3      LYS  10  -2.062 -12.098   0.191
    9    H    LYS  10           HN       LYS  10  -3.723  -5.769   1.117
   10    HB3  LYS  10           HB1      LYS  10  -3.352  -8.255   0.771
   11    HG3  LYS  10           HG1      LYS  10  -1.419  -9.118   2.913
   12    HD3  LYS  10           HD1      LYS  10  -3.646 -10.230   2.978
   13    HE3  LYS  10           HE1      LYS  10  -4.217 -10.098   0.614

  No H/Q in entry =          13
  In of MODEL    7
    1    HA   ASN  11           HA       ASN  11   0.064  -8.121  -1.885
    2    HB2  ASN  11           HB2      ASN  11  -2.074  -8.673  -2.974
    3   HD21  ASN  11          HD21      ASN  11  -2.218  -7.649  -5.709
    4   HD22  ASN  11          HD22      ASN  11  -0.817  -8.255  -6.516
    5    H    ASN  11           HN       ASN  11  -2.381  -6.791  -1.097
    6    HB3  ASN  11           HB1      ASN  11  -2.196  -7.021  -3.570

  No H/Q in entry =           6
  In of MODEL    7
    1    HA   ALA  12           HA       ALA  12   0.627  -4.026  -4.412
    2    HB3  ALA  12           HB1      ALA  12  -1.539  -2.903  -4.152
    3    HB2  ALA  12           HB2      ALA  12  -0.193  -1.795  -3.884
    4    HB1  ALA  12           HB3      ALA  12  -1.093  -2.437  -2.510
    5    H    ALA  12           HN       ALA  12  -1.435  -5.053  -2.992

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   ALA  13           HA       ALA  13   2.590  -2.207  -0.439
    2    HB3  ALA  13           HB1      ALA  13   0.793  -2.431   1.243
    3    HB1  ALA  13           HB2      ALA  13   2.378  -2.862   1.882
    4    HB2  ALA  13           HB3      ALA  13   1.229  -4.128   1.449
    5    H    ALA  13           HN       ALA  13   0.189  -3.556  -0.912

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   ALA  14           HA       ALA  14   4.274  -6.731   0.561
    2    HB2  ALA  14           HB1      ALA  14   3.639  -8.743  -0.680
    3    HB1  ALA  14           HB2      ALA  14   2.364  -7.831  -1.485
    4    HB3  ALA  14           HB3      ALA  14   2.300  -8.087   0.257
    5    H    ALA  14           HN       ALA  14   1.906  -5.669   0.055

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   GLU  15           HA       GLU  15   5.751  -6.890  -3.948
    2    HB2  GLU  15           HB2      GLU  15   3.419  -5.312  -4.998
    3    HG2  GLU  15           HG2      GLU  15   3.182  -7.772  -4.561
    4    H    GLU  15           HN       GLU  15   3.279  -6.181  -2.881
    5    HB3  GLU  15           HB1      GLU  15   4.821  -5.714  -5.985
    6    HG3  GLU  15           HG1      GLU  15   2.821  -7.232  -6.190

  No H/Q in entry =           6
  In of MODEL    7
    1    HA   ALA  16           HA       ALA  16   6.638  -2.313  -3.903
    2    HB1  ALA  16           HB1      ALA  16   4.943  -1.637  -1.498
    3    HB2  ALA  16           HB2      ALA  16   4.494  -1.354  -3.181
    4    HB3  ALA  16           HB3      ALA  16   5.861  -0.492  -2.475
    5    H    ALA  16           HN       ALA  16   4.877  -4.018  -2.302

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   LYS  17           HA       LYS  17   8.669  -2.769   0.273
    2    HB2  LYS  17           HB2      LYS  17   6.794  -4.954   1.178
    3    HG2  LYS  17           HG2      LYS  17   6.109  -2.566   1.451
    4    HD2  LYS  17           HD2      LYS  17   8.433  -2.541   3.384
    5    HE2  LYS  17           HE2      LYS  17   6.363  -0.429   2.785
    6    HZ1  LYS  17           HZ1      LYS  17   8.545   0.485   3.302
    7    HZ3  LYS  17           HZ2      LYS  17   8.610  -0.423   4.727
    8    HZ2  LYS  17           HZ3      LYS  17   7.448   0.794   4.553
    9    H    LYS  17           HN       LYS  17   6.287  -3.900  -0.870
   10    HB3  LYS  17           HB1      LYS  17   8.269  -4.567   2.055
   11    HG3  LYS  17           HG1      LYS  17   6.207  -3.495   2.950
   12    HD3  LYS  17           HD1      LYS  17   8.310  -1.599   1.897
   13    HE3  LYS  17           HE1      LYS  17   6.448  -1.388   4.262

  No H/Q in entry =          13
  In of MODEL    7
    1    HA   ASP  18           HA       ASP  18  10.269  -6.977  -0.920
    2    HB2  ASP  18           HB2      ASP  18   7.921  -7.594  -2.695
    3    H    ASP  18           HN       ASP  18   7.771  -5.652  -1.461
    4    HB3  ASP  18           HB1      ASP  18   9.415  -8.518  -2.822

  No H/Q in entry =           4
  In of MODEL    7
    1    HA   ASN  19           HA       ASN  19  11.142  -5.436  -5.167
    2    HB2  ASN  19           HB2      ASN  19   8.932  -4.947  -6.089
    3   HD21  ASN  19          HD21      ASN  19  10.257  -5.351  -7.863
    4   HD22  ASN  19          HD22      ASN  19  10.962  -4.072  -8.786
    5    H    ASN  19           HN       ASN  19   9.093  -4.729  -3.166
    6    HB3  ASN  19           HB1      ASN  19   8.954  -3.355  -5.335

  No H/Q in entry =           6
  In of MODEL    7
    1    HA   VAL  20           HA       VAL  20  12.515  -1.179  -4.169
    2    HB   VAL  20           HB       VAL  20  10.313   0.160  -2.662
    3    H    VAL  20           HN       VAL  20   9.942  -2.409  -3.768

  No H/Q in entry =           3
  In of MODEL    7
    1    HA   HIS  21           HA       HIS  21  12.505  -1.201   0.381
    2    HB2  HIS  21           HB2      HIS  21   9.987  -1.811   0.826
    3    HD1  HIS  21           HD1      HIS  21  10.241  -3.178   3.777
    4    HD2  HIS  21           HD2      HIS  21  12.368   0.050   2.255
    5    HE1  HIS  21           HE1      HIS  21  11.008  -1.872   5.784
    6    HE2  HIS  21           HE2      HIS  21  12.381   0.017   4.841
    7    H    HIS  21           HN       HIS  21  10.729  -2.575  -1.456
    8    HB3  HIS  21           HB1      HIS  21  10.669  -3.363   1.299

  No H/Q in entry =           8
  In of MODEL    7
    1    HA   ASP  22           HA       ASP  22  13.823  -5.748   0.602
    2    HB2  ASP  22           HB2      ASP  22  12.568  -6.874  -1.208
    3    H    ASP  22           HN       ASP  22  12.117  -4.405  -1.158
    4    HB3  ASP  22           HB1      ASP  22  13.655  -6.150  -2.392

  No H/Q in entry =           4
  In of MODEL    7
    1    HA   LYS  23           HA       LYS  23  17.478  -4.289  -2.018
    2    HB2  LYS  23           HB2      LYS  23  17.573  -2.292  -3.615
    3    HG2  LYS  23           HG2      LYS  23  15.241  -2.425  -4.939
    4    HD2  LYS  23           HD2      LYS  23  14.692  -0.316  -3.357
    5    HE2  LYS  23           HE2      LYS  23  15.910   1.036  -4.884
    6    HZ2  LYS  23           HZ1      LYS  23  15.320   0.077  -7.006
    7    HZ1  LYS  23           HZ2      LYS  23  14.084  -0.201  -5.886
    8    HZ3  LYS  23           HZ3      LYS  23  15.141  -1.453  -6.306
    9    H    LYS  23           HN       LYS  23  14.869  -4.289  -2.656
   10    HB3  LYS  23           HB1      LYS  23  16.871  -3.788  -4.217
   11    HG3  LYS  23           HG1      LYS  23  14.657  -2.569  -3.280
   12    HD3  LYS  23           HD1      LYS  23  16.406  -0.536  -3.000
   13    HE3  LYS  23           HE1      LYS  23  16.995  -0.294  -5.293

  No H/Q in entry =          13
  In of MODEL    7
    1    HA   ILE  24           HA       ILE  24  17.019   0.095  -0.205
    2    HB   ILE  24           HB       ILE  24  14.187  -0.387   0.688
    3   HD13  ILE  24          HD11      ILE  24  12.987   2.179  -1.546
    4   HD12  ILE  24          HD12      ILE  24  13.411   2.752   0.067
    5   HD11  ILE  24          HD13      ILE  24  12.606   1.193  -0.137
    6    H    ILE  24           HN       ILE  24  15.113  -1.767  -1.009

  No H/Q in entry =           6
  In of MODEL    7
    1    HA   GLN  25           HA       GLN  25  16.307  -1.511   4.371
    2    HB2  GLN  25           HB2      GLN  25  15.875  -4.334   3.368
    3    HG2  GLN  25           HG2      GLN  25  13.919  -2.304   4.322
    4   HE21  GLN  25          HE21      GLN  25  13.608  -2.921   6.470
    5   HE22  GLN  25          HE22      GLN  25  12.802  -4.390   6.890
    6    H    GLN  25           HN       GLN  25  15.100  -1.957   2.039
    7    HB3  GLN  25           HB1      GLN  25  15.941  -3.824   5.046
    8    HG3  GLN  25           HG1      GLN  25  13.765  -3.514   3.047

  No H/Q in entry =           8
  In of MODEL    7
    1    HA   GLU  26           HA       GLU  26  19.935  -4.473   3.270
    2    HB2  GLU  26           HB2      GLU  26  19.074  -5.688   1.337
    3    HG2  GLU  26           HG2      GLU  26  21.730  -4.441   0.667
    4    H    GLU  26           HN       GLU  26  17.481  -3.897   2.147
    5    HB3  GLU  26           HB1      GLU  26  19.325  -4.279   0.316
    6    HG3  GLU  26           HG1      GLU  26  21.488  -5.839   1.713

  No H/Q in entry =           6
  In of MODEL    7
    1    HA   LEU  27           HA       LEU  27  22.150  -0.939   1.222
    2    HB2  LEU  27           HB2      LEU  27  20.314  -0.270  -1.052
    3    HG   LEU  27           HG       LEU  27  20.982  -2.717  -1.069
    4   HD11  LEU  27          HD11      LEU  27  20.446  -1.175  -3.046
    5   HD13  LEU  27          HD12      LEU  27  21.258  -2.707  -3.378
    6   HD12  LEU  27          HD13      LEU  27  22.182  -1.204  -3.357
    7   HD21  LEU  27          HD21      LEU  27  23.219  -2.441  -0.111
    8   HD23  LEU  27          HD22      LEU  27  23.714  -1.527  -1.535
    9   HD22  LEU  27          HD23      LEU  27  23.284  -3.229  -1.688
   10    H    LEU  27           HN       LEU  27  19.591  -2.161   0.556
   11    HB3  LEU  27           HB1      LEU  27  22.019   0.106  -0.907

  No H/Q in entry =          11
  In of MODEL    7
    1    HA   LYS  28           HA       LYS  28  19.596   3.009   1.062
    2    HB2  LYS  28           HB2      LYS  28  17.064   1.733   0.093
    3    HG2  LYS  28           HG2      LYS  28  17.842   3.305  -1.903
    4    HD2  LYS  28           HD2      LYS  28  18.817   0.485  -1.476
    5    HE2  LYS  28           HE2      LYS  28  18.674   0.287  -3.888
    6    HZ2  LYS  28           HZ1      LYS  28  20.777   1.069  -3.000
    7    HZ1  LYS  28           HZ2      LYS  28  20.257   2.675  -3.110
    8    HZ3  LYS  28           HZ3      LYS  28  20.480   1.761  -4.515
    9    H    LYS  28           HN       LYS  28  18.917   0.278   0.472
   10    HB3  LYS  28           HB1      LYS  28  17.315   3.449   0.263
   11    HG3  LYS  28           HG1      LYS  28  19.420   2.827  -1.273
   12    HD3  LYS  28           HD1      LYS  28  17.200   0.931  -2.024
   13    HE3  LYS  28           HE1      LYS  28  18.131   1.959  -4.016

  No H/Q in entry =          13
  In of MODEL    7
    1    HA   ASP  29           HA       ASP  29  16.201   1.288   4.321
    2    HB2  ASP  29           HB2      ASP  29  17.130   0.434   6.431
    3    H    ASP  29           HN       ASP  29  18.466   0.586   3.097
    4    HB3  ASP  29           HB1      ASP  29  17.552  -0.574   5.053

  No H/Q in entry =           4
  In of MODEL    7
    1    HA   ASP  30           HA       ASP  30  17.890   4.794   6.761
    2    HB2  ASP  30           HB2      ASP  30  20.321   4.572   6.616
    3    H    ASP  30           HN       ASP  30  18.976   3.446   4.400
    4    HB3  ASP  30           HB1      ASP  30  20.322   5.449   5.088

  No H/Q in entry =           4
  In of MODEL    7
    1    HA   VAL  31           HA       VAL  31  17.105   8.213   3.748
    2    HB   VAL  31           HB       VAL  31  19.363   8.889   3.309
    3    H    VAL  31           HN       VAL  31  19.192   6.218   3.839

  No H/Q in entry =           3
  In of MODEL    7
    1    HA3  GLY  32           HA2      GLY  32  16.499   6.422  -0.701
    2    H    GLY  32           HN       GLY  32  18.349   6.018   1.336
    3    HA2  GLY  32           HA1      GLY  32  17.327   4.896  -0.446

  No H/Q in entry =           3
  In of MODEL    7
    1    HA   ASN  33           HA       ASN  33  13.947   3.138   1.880
    2    HB2  ASN  33           HB2      ASN  33  15.074   3.616   4.061
    3   HD21  ASN  33          HD21      ASN  33  14.115   1.585   4.244
    4   HD22  ASN  33          HD22      ASN  33  12.553   1.377   4.952
    5    H    ASN  33           HN       ASN  33  15.974   4.969   2.313
    6    HB3  ASN  33           HB1      ASN  33  14.075   5.060   4.201

  No H/Q in entry =           6
  In of MODEL    7
    1    HA   LYS  34           HA       LYS  34  10.954   6.626   1.561
    2    HB2  LYS  34           HB2      LYS  34  12.351   8.607   1.681
    3    HG2  LYS  34           HG2      LYS  34  11.154  10.130   0.206
    4    HD2  LYS  34           HD2      LYS  34   9.226   8.002   1.102
    5    HE2  LYS  34           HE2      LYS  34   8.244   9.893  -0.072
    6    HZ1  LYS  34           HZ1      LYS  34   9.955  11.547   0.413
    7    HZ3  LYS  34           HZ2      LYS  34   9.480  11.582   2.036
    8    HZ2  LYS  34           HZ3      LYS  34   8.417  12.111   0.832
    9    H    LYS  34           HN       LYS  34  13.756   6.312   0.919
   10    HB3  LYS  34           HB1      LYS  34  12.832   8.392   0.002
   11    HG3  LYS  34           HG1      LYS  34  10.541   8.754  -0.709
   12    HD3  LYS  34           HD1      LYS  34  10.025   9.100   2.231
   13    HE3  LYS  34           HE1      LYS  34   7.800   9.907   1.634

  No H/Q in entry =          13
  In of MODEL    7
    1    HA   ALA  35           HA       ALA  35  11.217   5.892  -3.167
    2    HB3  ALA  35           HB1      ALA  35  12.450   3.980  -4.206
    3    HB2  ALA  35           HB2      ALA  35  13.259   3.740  -2.657
    4    HB1  ALA  35           HB3      ALA  35  13.478   5.249  -3.542
    5    H    ALA  35           HN       ALA  35  12.891   5.414  -0.959

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   ALA  36           HA       ALA  36   9.187   1.806  -2.096
    2    HB1  ALA  36           HB1      ALA  36  10.882   0.703  -0.680
    3    HB2  ALA  36           HB2      ALA  36   9.239   0.337  -0.144
    4    HB3  ALA  36           HB3      ALA  36  10.218   1.521   0.734
    5    H    ALA  36           HN       ALA  36  11.162   3.385  -0.682

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   GLU  37           HA       GLU  37   6.670   4.056   1.153
    2    HB2  GLU  37           HB2      GLU  37   8.694   6.284   1.409
    3    HG2  GLU  37           HG2      GLU  37   9.237   4.250   2.665
    4    H    GLU  37           HN       GLU  37   9.293   4.484  -0.044
    5    HB3  GLU  37           HB1      GLU  37   7.112   6.325   2.176
    6    HG3  GLU  37           HG1      GLU  37   8.875   5.619   3.715

  No H/Q in entry =           6
  In of MODEL    7
    1    HA   VAL  38           HA       VAL  38   6.071   7.544  -1.967
    2    HB   VAL  38           HB       VAL  38   8.508   6.810  -3.603
    3    H    VAL  38           HN       VAL  38   8.262   5.790  -1.391

  No H/Q in entry =           3
  In of MODEL    7
    1    HA   ARG  39           HA       ARG  39   5.640   4.303  -5.505
    2    HB2  ARG  39           HB2      ARG  39   7.695   2.917  -5.080
    3    HG2  ARG  39           HG2      ARG  39   5.663   2.289  -6.636
    4    HD2  ARG  39           HD2      ARG  39   5.715   0.065  -4.603
    5    HE   ARG  39           HE       ARG  39   5.245  -0.239  -7.291
    6   HH11  ARG  39          HH11      ARG  39   3.397  -0.656  -4.365
    7   HH12  ARG  39          HH12      ARG  39   2.411  -1.921  -5.018
    8   HH21  ARG  39          HH21      ARG  39   3.950  -1.900  -8.157
    9   HH22  ARG  39          HH22      ARG  39   2.724  -2.626  -7.174
   10    H    ARG  39           HN       ARG  39   7.426   4.586  -3.407
   11    HB3  ARG  39           HB1      ARG  39   6.771   2.010  -3.893
   12    HG3  ARG  39           HG1      ARG  39   7.018   1.186  -6.382
   13    HD3  ARG  39           HD1      ARG  39   4.354   1.128  -4.963

  No H/Q in entry =          13
  In of MODEL    7
    1    HA   ASP  40           HA       ASP  40   2.765   2.093  -2.520
    2    HB2  ASP  40           HB2      ASP  40   4.187   1.565  -0.584
    3    H    ASP  40           HN       ASP  40   5.253   3.441  -2.088
    4    HB3  ASP  40           HB1      ASP  40   3.982   3.207   0.020

  No H/Q in entry =           4
  In of MODEL    7
    1    HA   ALA  41           HA       ALA  41   1.440   6.504  -1.072
    2    HB3  ALA  41           HB1      ALA  41   2.347   8.608  -1.746
    3    HB1  ALA  41           HB2      ALA  41   3.424   7.832  -2.906
    4    HB2  ALA  41           HB3      ALA  41   3.677   7.601  -1.175
    5    H    ALA  41           HN       ALA  41   3.794   5.351  -2.080

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   VAL  42           HA       VAL  42   0.326   7.389  -5.630
    2    HB   VAL  42           HB       VAL  42   1.026   5.995  -7.668
    3    H    VAL  42           HN       VAL  42   2.576   6.178  -4.443

  No H/Q in entry =           3
  In of MODEL    7
    1    HA   SER  43           HA       SER  43  -1.104   2.795  -6.174
    2    HB2  SER  43           HB2      SER  43   0.343   1.993  -3.632
    3    HG   SER  43           HG       SER  43   0.858   1.695  -6.339
    4    H    SER  43           HN       SER  43   1.104   4.011  -4.992
    5    HB3  SER  43           HB1      SER  43  -0.768   0.956  -4.528

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   SER  44           HA       SER  44  -3.196   3.380  -1.792
    2    HB2  SER  44           HB2      SER  44  -1.479   5.820  -1.296
    3    HG   SER  44           HG       SER  44  -0.292   4.482  -0.218
    4    H    SER  44           HN       SER  44  -0.728   3.866  -2.826
    5    HB3  SER  44           HB1      SER  44  -2.812   5.298  -0.266

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   THR  45           HA       THR  45  -4.707   7.650  -3.450
    2    HB   THR  45           HB       THR  45  -4.165   8.883  -5.419
    3    HG1  THR  45           HG1      THR  45  -3.275   6.541  -6.319
    4   HG21  THR  45          HG21      THR  45  -2.663   9.212  -3.492
    5   HG23  THR  45          HG22      THR  45  -1.848   9.496  -5.030
    6   HG22  THR  45          HG23      THR  45  -1.574   7.991  -4.153
    7    H    THR  45           HN       THR  45  -2.321   6.234  -3.758

  No H/Q in entry =           7
  In of MODEL    7
    1    HA   VAL  46           HA       VAL  46  -6.324   5.097  -7.078
    2    HB   VAL  46           HB       VAL  46  -4.387   2.795  -6.744
    3    H    VAL  46           HN       VAL  46  -3.894   4.973  -5.533

  No H/Q in entry =           3
  In of MODEL    7
    1    HA   GLU  47           HA       GLU  47  -7.218   1.125  -4.294
    2    HB2  GLU  47           HB2      GLU  47  -5.161   2.190  -2.379
    3    HG2  GLU  47           HG2      GLU  47  -5.450  -0.591  -3.449
    4    H    GLU  47           HN       GLU  47  -5.090   2.622  -4.885
    5    HB3  GLU  47           HB1      GLU  47  -6.334   0.962  -1.927
    6    HG3  GLU  47           HG1      GLU  47  -4.478   0.639  -4.258

  No H/Q in entry =           6
  In of MODEL    7
    1    HA   SER  48           HA       SER  48  -9.044   4.300  -1.451
    2    HB2  SER  48           HB2      SER  48  -7.639   6.697  -2.647
    3    HG   SER  48           HG       SER  48  -6.355   6.579  -0.927
    4    H    SER  48           HN       SER  48  -7.046   4.480  -3.555
    5    HB3  SER  48           HB1      SER  48  -8.797   6.775  -1.319

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   ILE  49           HA       ILE  49 -11.464   6.828  -4.643
    2    HB   ILE  49           HB       ILE  49 -11.018   7.090  -7.136
    3   HD12  ILE  49          HD11      ILE  49  -8.305   5.077  -8.422
    4   HD11  ILE  49          HD12      ILE  49 -10.023   5.465  -8.513
    5   HD13  ILE  49          HD13      ILE  49  -9.420   4.425  -7.222
    6    H    ILE  49           HN       ILE  49  -8.754   6.110  -4.507

  No H/Q in entry =           6
  In of MODEL    7
    1    HA   LYS  50           HA       LYS  50 -11.924   2.949  -7.127
    2    HB2  LYS  50           HB2      LYS  50 -10.816   0.754  -6.969
    3    HG2  LYS  50           HG2      LYS  50  -8.582   1.836  -5.406
    4    HD2  LYS  50           HD2      LYS  50  -8.875  -0.615  -4.514
    5    HE2  LYS  50           HE2      LYS  50  -7.025   0.263  -5.949
    6    HZ2  LYS  50           HZ1      LYS  50  -8.300   0.917  -7.877
    7    HZ1  LYS  50           HZ2      LYS  50  -8.767  -0.684  -8.161
    8    HZ3  LYS  50           HZ3      LYS  50  -7.143  -0.235  -8.318
    9    H    LYS  50           HN       LYS  50  -9.938   3.832  -5.261
   10    HB3  LYS  50           HB1      LYS  50  -9.700   2.062  -7.334
   11    HG3  LYS  50           HG1      LYS  50 -10.006   1.371  -4.488
   12    HD3  LYS  50           HD1      LYS  50  -9.850  -0.788  -5.975
   13    HE3  LYS  50           HE1      LYS  50  -7.448  -1.421  -6.255

  No H/Q in entry =          13
  In of MODEL    7
    1    HA   ASP  51           HA       ASP  51 -13.711   0.500  -3.754
    2    HB2  ASP  51           HB2      ASP  51 -11.219   0.106  -2.393
    3    H    ASP  51           HN       ASP  51 -11.117   1.738  -3.801
    4    HB3  ASP  51           HB1      ASP  51 -12.557   0.153  -1.244

  No H/Q in entry =           4
  In of MODEL    7
    1    HA   LYS  52           HA       LYS  52 -14.519   3.416  -0.289
    2    HB2  LYS  52           HB2      LYS  52 -12.408   4.128   0.553
    3    HG2  LYS  52           HG2      LYS  52 -14.157   6.537   0.063
    4    HD2  LYS  52           HD2      LYS  52 -11.713   6.886   0.853
    5    HE2  LYS  52           HE2      LYS  52 -11.713   5.087   2.519
    6    HZ3  LYS  52           HZ1      LYS  52 -12.938   5.414   4.587
    7    HZ2  LYS  52           HZ2      LYS  52 -13.989   5.225   3.276
    8    HZ1  LYS  52           HZ3      LYS  52 -13.721   6.762   3.927
    9    H    LYS  52           HN       LYS  52 -12.255   3.243  -2.073
   10    HB3  LYS  52           HB1      LYS  52 -12.199   5.273  -0.765
   11    HG3  LYS  52           HG1      LYS  52 -14.262   5.423   1.427
   12    HD3  LYS  52           HD1      LYS  52 -13.025   7.684   1.723
   13    HE3  LYS  52           HE1      LYS  52 -11.390   6.662   3.245

  No H/Q in entry =          13
  In of MODEL    7
    1    HA   LEU  53           HA       LEU  53 -15.693   6.799  -3.255
    2    HB2  LEU  53           HB2      LEU  53 -13.226   6.406  -4.820
    3    HG   LEU  53           HG       LEU  53 -13.236   8.828  -5.028
    4   HD12  LEU  53          HD11      LEU  53 -15.033  10.144  -3.958
    5   HD11  LEU  53          HD12      LEU  53 -15.933   8.648  -3.697
    6   HD13  LEU  53          HD13      LEU  53 -15.597   9.200  -5.337
    7   HD22  LEU  53          HD21      LEU  53 -12.304   7.902  -2.998
    8   HD21  LEU  53          HD22      LEU  53 -13.900   7.862  -2.250
    9   HD23  LEU  53          HD23      LEU  53 -13.142   9.409  -2.630
   10    H    LEU  53           HN       LEU  53 -13.432   4.979  -3.239
   11    HB3  LEU  53           HB1      LEU  53 -14.607   6.937  -5.749

  No H/Q in entry =          11
  In of MODEL    7
    1    HA   SER  54           HA       SER  54 -16.133   2.927  -6.257
    2    HB2  SER  54           HB2      SER  54 -15.260   1.332  -4.602
    3    HG   SER  54           HG       SER  54 -16.866   0.717  -6.305
    4    H    SER  54           HN       SER  54 -15.015   3.664  -3.973
    5    HB3  SER  54           HB1      SER  54 -16.702   1.568  -3.619

  No H/Q in entry =           5
  In of MODEL    7
    1    HA3  GLY  55           HA2      GLY  55 -20.041   5.050  -3.734
    2    H    GLY  55           HN       GLY  55 -17.970   3.757  -3.340
    3    HA2  GLY  55           HA1      GLY  55 -20.395   3.911  -5.023

  No H/Q in entry =           3
  In of MODEL    7
    1    HA3  GLY  56           HA2      GLY  56 -21.693   1.487  -1.502
    2    H    GLY  56           HN       GLY  56 -19.152   1.876  -2.961
    3    HA2  GLY  56           HA1      GLY  56 -20.722   0.165  -2.132

  No H/Q in entry =           3
  In of MODEL    7
    1    HA   SER  57           HA       SER  57 -17.095  -0.321   0.530
    2    HB2  SER  57           HB2      SER  57 -16.727   2.061   0.504
    3    HG   SER  57           HG       SER  57 -15.979   0.949   2.381
    4    H    SER  57           HN       SER  57 -18.436   0.087  -1.258
    5    HB3  SER  57           HB1      SER  57 -18.235   2.350   1.374

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   SER  58           HA       SER  58 -19.484  -1.835   3.830
    2    HB2  SER  58           HB2      SER  58 -21.372  -1.862   2.278
    3    HG   SER  58           HG       SER  58 -21.934  -4.299   3.046
    4    H    SER  58           HN       SER  58 -18.216  -2.176   1.227
    5    HB3  SER  58           HB1      SER  58 -20.785  -3.365   1.565

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   SER  59           HA       SER  59 -17.764  -6.203   2.910
    2    HB2  SER  59           HB2      SER  59 -17.082  -6.011   0.555
    3    HG   SER  59           HG       SER  59 -16.082  -7.787   1.021
    4    H    SER  59           HN       SER  59 -17.706  -3.719   1.553
    5    HB3  SER  59           HB1      SER  59 -15.643  -5.115   1.043

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   ARG  60           HA       ARG  60 -14.002  -5.253   5.230
    2    HB2  ARG  60           HB2      ARG  60 -12.543  -6.039   3.394
    3    HG2  ARG  60           HG2      ARG  60 -10.439  -5.443   4.360
    4    HD2  ARG  60           HD2      ARG  60 -10.777  -5.977   6.659
    5    HE   ARG  60           HE       ARG  60 -12.620  -7.318   4.849
    6   HH11  ARG  60          HH11      ARG  60 -10.969  -7.301   7.917
    7   HH12  ARG  60          HH12      ARG  60 -11.184  -8.999   8.187
    8   HH21  ARG  60          HH21      ARG  60 -12.907  -9.551   5.196
    9   HH22  ARG  60          HH22      ARG  60 -12.283 -10.277   6.639
   10    H    ARG  60           HN       ARG  60 -14.642  -4.682   2.457
   11    HB3  ARG  60           HB1      ARG  60 -12.189  -4.366   3.011
   12    HG3  ARG  60           HG1      ARG  60 -11.150  -4.029   5.130
   13    HD3  ARG  60           HD1      ARG  60 -12.433  -5.373   6.613

  No H/Q in entry =          13
  In of MODEL    7
    1    HA   ALA  61           HA       ALA  61 -14.389  -0.623   4.827
    2    HB1  ALA  61           HB1      ALA  61 -17.134  -1.290   5.882
    3    HB2  ALA  61           HB2      ALA  61 -16.740  -0.833   4.226
    4    HB3  ALA  61           HB3      ALA  61 -16.525   0.329   5.534
    5    H    ALA  61           HN       ALA  61 -15.741  -3.137   4.963

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   SER  62           HA       SER  62 -14.397  -1.180   9.450
    2    HB2  SER  62           HB2      SER  62 -14.095  -4.188   9.314
    3    HG   SER  62           HG       SER  62 -16.265  -2.459   9.761
    4    H    SER  62           HN       SER  62 -14.474  -2.991   7.178
    5    HB3  SER  62           HB1      SER  62 -14.177  -3.240  10.798

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   SER  63           HA       SER  63  -9.957  -2.202   9.036
    2    HB2  SER  63           HB2      SER  63 -10.052  -3.978   7.339
    3    HG   SER  63           HG       SER  63  -7.954  -3.810   6.748
    4    H    SER  63           HN       SER  63 -12.216  -2.087   7.168
    5    HB3  SER  63           HB1      SER  63 -10.031  -2.760   6.063

  No H/Q in entry =           5
  In of MODEL    7
    1    HA   TYR  64           HA       TYR  64  -8.559   1.562   7.186
    2    HB2  TYR  64           HB2      TYR  64  -8.075   1.743  10.169
    3    HD1  TYR  64           HD1      TYR  64 -10.153   0.801  10.927
    4    HD2  TYR  64           HD2      TYR  64 -10.128   3.903   8.015
    5    HE1  TYR  64           HE1      TYR  64 -12.570   1.121  11.255
    6    HE2  TYR  64           HE2      TYR  64 -12.543   4.232   8.335
    7    HH   TYR  64           HH       TYR  64 -14.255   2.879  10.934
    8    H    TYR  64           HN       TYR  64  -8.328  -0.716   9.031
    9    HB3  TYR  64           HB1      TYR  64  -8.044   3.099   9.045

  No H/Q in entry =           9
  In of MODEL    7
    1    HA   THR  65           HA       THR  65  -4.199   1.086   7.358
    2    HB   THR  65           HB       THR  65  -3.334  -0.354   5.598
    3    HG1  THR  65           HG1      THR  65  -6.009  -0.220   4.629
    4   HG22  THR  65          HG21      THR  65  -4.572  -2.406   6.168
    5   HG21  THR  65          HG22      THR  65  -5.853  -1.421   6.875
    6   HG23  THR  65          HG23      THR  65  -4.239  -1.416   7.590
    7    H    THR  65           HN       THR  65  -6.788   1.258   5.967

  No H/Q in entry =           7
  In of MODEL    7
    1    HA   LEU  66           HA       LEU  66  -3.650   3.104   2.967
    2    HB2  LEU  66           HB2      LEU  66  -6.626   3.502   2.819
    3    HG   LEU  66           HG       LEU  66  -4.690   2.260   0.869
    4   HD13  LEU  66          HD11      LEU  66  -5.308   0.721   2.599
    5   HD12  LEU  66          HD12      LEU  66  -6.185   0.295   1.130
    6   HD11  LEU  66          HD13      LEU  66  -7.010   1.150   2.433
    7   HD21  LEU  66          HD21      LEU  66  -7.520   3.177   0.558
    8   HD23  LEU  66          HD22      LEU  66  -6.891   1.842  -0.401
    9   HD22  LEU  66          HD23      LEU  66  -6.145   3.436  -0.512
   10    H    LEU  66           HN       LEU  66  -5.700   1.737   4.190
   11    HB3  LEU  66           HB1      LEU  66  -5.522   4.424   1.823

  No H/Q in entry =          11
  In of MODEL    7
    1    HA   GLU  67           HA       GLU  67  -4.756   7.053   5.052
    2    HB2  GLU  67           HB2      GLU  67  -7.641   6.439   5.707
    3    HG2  GLU  67           HG2      GLU  67  -7.228   6.640   3.312
    4    H    GLU  67           HN       GLU  67  -6.335   4.614   4.761
    5    HB3  GLU  67           HB1      GLU  67  -6.876   8.000   5.975
    6    HG3  GLU  67           HG1      GLU  67  -8.189   7.983   3.928

  No H/Q in entry =           6
  In of MODEL    8
    1    H1   MET   1           HT2      MET   1  -8.625   0.996   4.638
    2    H2   MET   1           HT1      MET   1  -8.001   0.263   3.249
    3    H3   MET   1           HT3      MET   1  -7.670   1.891   3.567
    4    HB3  MET   1           HB1      MET   1  -9.483   0.691   0.932
    5    HG3  MET   1           HG1      MET   1 -11.034   2.268   0.304
    6    HA   MET   1           HA       MET   1  -9.927   2.491   3.233
    7    HB2  MET   1           HB2      MET   1  -8.244   1.883   1.280
    8    HG2  MET   1           HG2      MET   1  -9.526   3.029  -0.214
    9    HE3  MET   1           HE1      MET   1 -12.398   4.480   3.014
   10    HE2  MET   1           HE2      MET   1 -11.898   2.790   2.992
   11    HE1  MET   1           HE3      MET   1 -12.746   3.477   1.607

  No H/Q in entry =          11
  In of MODEL    8
    1    HA   ASP   2           HA       ASP   2 -12.985  -0.591   3.164
    2    HB2  ASP   2           HB2      ASP   2 -13.278   0.300   0.337
    3    H    ASP   2           HN       ASP   2 -11.283   0.687   1.193
    4    HB3  ASP   2           HB1      ASP   2 -14.294  -1.039   0.885

  No H/Q in entry =           4
  In of MODEL    8
    1    HA   GLN   3           HA       GLN   3 -12.215  -4.554   1.205
    2    HB2  GLN   3           HB2      GLN   3 -14.184  -4.381  -0.312
    3    HG2  GLN   3           HG2      GLN   3 -11.946  -6.073  -1.395
    4   HE21  GLN   3          HE21      GLN   3 -12.536  -7.738  -2.767
    5   HE22  GLN   3          HE22      GLN   3 -14.032  -7.742  -3.630
    6    H    GLN   3           HN       GLN   3 -13.090  -2.042   0.086
    7    HB3  GLN   3           HB1      GLN   3 -13.100  -3.909  -1.610
    8    HG3  GLN   3           HG1      GLN   3 -13.112  -6.544  -0.161

  No H/Q in entry =           8
  In of MODEL    8
    1    HA   GLU   4           HA       GLU   4  -8.928  -3.650  -1.876
    2    HB2  GLU   4           HB2      GLU   4  -7.803  -1.705  -2.635
    3    HG2  GLU   4           HG2      GLU   4  -8.193   0.533  -1.837
    4    H    GLU   4           HN       GLU   4 -10.726  -1.970  -0.430
    5    HB3  GLU   4           HB1      GLU   4  -9.513  -1.323  -2.618
    6    HG3  GLU   4           HG1      GLU   4  -9.218  -0.084  -0.548

  No H/Q in entry =           6
  In of MODEL    8
    1    HA   THR   5           HA       THR   5  -6.292  -2.540   1.899
    2    HB   THR   5           HB       THR   5  -8.439  -3.627   3.739
    3    HG1  THR   5           HG1      THR   5  -8.787  -1.440   2.946
    4   HG21  THR   5          HG21      THR   5  -6.120  -4.144   4.422
    5   HG23  THR   5          HG22      THR   5  -6.916  -3.035   5.537
    6   HG22  THR   5          HG23      THR   5  -5.742  -2.423   4.373
    7    H    THR   5           HN       THR   5  -9.052  -2.674   1.395

  No H/Q in entry =           7
  In of MODEL    8
    1    HA   ARG   6           HA       ARG   6  -6.699  -7.202   2.955
    2    HB2  ARG   6           HB2      ARG   6  -8.430  -8.777   1.886
    3    HG2  ARG   6           HG2      ARG   6  -9.900  -6.166   1.689
    4    HD2  ARG   6           HD2      ARG   6 -11.350  -7.711   2.848
    5    HE   ARG   6           HE       ARG   6 -10.136  -9.785   1.750
    6   HH11  ARG   6          HH11      ARG   6 -13.383  -8.620   1.262
    7   HH12  ARG   6          HH12      ARG   6 -14.028 -10.187   0.902
    8   HH21  ARG   6          HH21      ARG   6 -10.975 -11.849   1.276
    9   HH22  ARG   6          HH22      ARG   6 -12.658 -12.023   0.911
   10    H    ARG   6           HN       ARG   6  -8.476  -5.260   2.643
   11    HB3  ARG   6           HB1      ARG   6  -8.911  -7.832   3.287
   12    HG3  ARG   6           HG1      ARG   6  -9.609  -7.344   0.408
   13    HD3  ARG   6           HD1      ARG   6 -11.888  -7.536   1.179

  No H/Q in entry =          13
  In of MODEL    8
    1    HA   ASP   7           HA       ASP   7  -6.261  -8.461  -1.514
    2    HB2  ASP   7           HB2      ASP   7  -8.613  -7.175  -2.260
    3    H    ASP   7           HN       ASP   7  -8.173  -6.774  -0.368
    4    HB3  ASP   7           HB1      ASP   7  -7.395  -6.613  -3.396

  No H/Q in entry =           4
  In of MODEL    8
    1    HA   GLN   8           HA       GLN   8  -4.047  -4.818  -3.238
    2    HB2  GLN   8           HB2      GLN   8  -5.554  -2.487  -2.058
    3    HG2  GLN   8           HG2      GLN   8  -7.033  -3.804  -3.503
    4   HE21  GLN   8          HE21      GLN   8  -3.960  -3.063  -4.984
    5   HE22  GLN   8          HE22      GLN   8  -4.165  -4.070  -6.372
    6    H    GLN   8           HN       GLN   8  -6.447  -4.894  -1.621
    7    HB3  GLN   8           HB1      GLN   8  -4.358  -2.432  -3.345
    8    HG3  GLN   8           HG1      GLN   8  -6.643  -2.228  -4.189

  No H/Q in entry =           8
  In of MODEL    8
    1    HA   MET   9           HA       MET   9  -2.409  -2.380   0.555
    2    HB2  MET   9           HB2      MET   9  -4.511  -2.058   1.901
    3    HG2  MET   9           HG2      MET   9  -3.417  -1.932   4.076
    4    HE3  MET   9           HE1      MET   9  -0.126   0.371   3.598
    5    HE2  MET   9           HE2      MET   9  -0.007  -1.388   3.671
    6    HE1  MET   9           HE3      MET   9  -1.069  -0.527   4.788
    7    H    MET   9           HN       MET   9  -4.897  -3.276  -0.109
    8    HB3  MET   9           HB1      MET   9  -4.232  -3.652   2.590
    9    HG3  MET   9           HG1      MET   9  -2.081  -2.904   3.463

  No H/Q in entry =           9
  In of MODEL    8
    1    HA   LYS  10           HA       LYS  10  -1.226  -6.516   2.497
    2    HB2  LYS  10           HB2      LYS  10  -3.376  -8.157   1.162
    3    HG2  LYS  10           HG2      LYS  10  -4.174  -6.879   3.107
    4    HD2  LYS  10           HD2      LYS  10  -2.006  -6.751   4.304
    5    HE2  LYS  10           HE2      LYS  10  -2.588  -9.629   4.989
    6    HZ3  LYS  10           HZ1      LYS  10  -0.359  -7.868   5.853
    7    HZ2  LYS  10           HZ2      LYS  10  -0.527  -9.509   6.225
    8    HZ1  LYS  10           HZ3      LYS  10  -1.635  -8.387   6.836
    9    H    LYS  10           HN       LYS  10  -3.639  -5.692   1.299
   10    HB3  LYS  10           HB1      LYS  10  -2.080  -8.820   2.146
   11    HG3  LYS  10           HG1      LYS  10  -4.187  -8.622   3.381
   12    HD3  LYS  10           HD1      LYS  10  -3.333  -7.323   5.317
   13    HE3  LYS  10           HE1      LYS  10  -1.269  -9.062   3.967

  No H/Q in entry =          13
  In of MODEL    8
    1    HA   ASN  11           HA       ASN  11   0.033  -8.266  -1.616
    2    HB2  ASN  11           HB2      ASN  11  -2.132  -8.838  -2.637
    3   HD21  ASN  11          HD21      ASN  11   0.760  -8.984  -3.116
    4   HD22  ASN  11          HD22      ASN  11   0.942  -9.257  -4.811
    5    H    ASN  11           HN       ASN  11  -2.370  -6.843  -0.858
    6    HB3  ASN  11           HB1      ASN  11  -2.241  -7.218  -3.319

  No H/Q in entry =           6
  In of MODEL    8
    1    HA   ALA  12           HA       ALA  12   0.623  -4.330  -4.387
    2    HB1  ALA  12           HB1      ALA  12  -1.032  -2.594  -2.555
    3    HB3  ALA  12           HB2      ALA  12  -1.534  -3.170  -4.145
    4    HB2  ALA  12           HB3      ALA  12  -0.166  -2.066  -3.999
    5    H    ALA  12           HN       ALA  12  -1.432  -5.237  -2.876

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   ALA  13           HA       ALA  13   2.661  -2.280  -0.558
    2    HB2  ALA  13           HB1      ALA  13   1.345  -4.103   1.453
    3    HB3  ALA  13           HB2      ALA  13   0.890  -2.423   1.164
    4    HB1  ALA  13           HB3      ALA  13   2.492  -2.807   1.794
    5    H    ALA  13           HN       ALA  13   0.242  -3.611  -0.922

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   ALA  14           HA       ALA  14   4.344  -6.766   0.604
    2    HB3  ALA  14           HB1      ALA  14   2.326  -8.099   0.351
    3    HB2  ALA  14           HB2      ALA  14   3.690  -8.831  -0.494
    4    HB1  ALA  14           HB3      ALA  14   2.453  -7.964  -1.403
    5    H    ALA  14           HN       ALA  14   1.972  -5.721   0.067

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   GLU  15           HA       GLU  15   5.810  -7.051  -3.893
    2    HB2  GLU  15           HB2      GLU  15   3.475  -5.529  -5.015
    3    HG2  GLU  15           HG2      GLU  15   3.253  -7.968  -4.498
    4    H    GLU  15           HN       GLU  15   3.336  -6.263  -2.846
    5    HB3  GLU  15           HB1      GLU  15   4.888  -5.946  -5.978
    6    HG3  GLU  15           HG1      GLU  15   2.923  -7.501  -6.156

  No H/Q in entry =           6
  In of MODEL    8
    1    HA   ALA  16           HA       ALA  16   6.715  -2.481  -4.017
    2    HB1  ALA  16           HB1      ALA  16   5.112  -1.640  -1.603
    3    HB3  ALA  16           HB2      ALA  16   4.519  -1.543  -3.262
    4    HB2  ALA  16           HB3      ALA  16   5.920  -0.589  -2.768
    5    H    ALA  16           HN       ALA  16   4.940  -4.123  -2.362

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   LYS  17           HA       LYS  17   8.698  -2.901   0.203
    2    HB2  LYS  17           HB2      LYS  17   6.841  -5.141   0.988
    3    HG2  LYS  17           HG2      LYS  17   6.169  -2.780   1.416
    4    HD2  LYS  17           HD2      LYS  17   8.514  -2.862   3.321
    5    HE2  LYS  17           HE2      LYS  17   6.445  -0.717   2.844
    6    HZ3  LYS  17           HZ1      LYS  17   8.704  -0.809   4.769
    7    HZ2  LYS  17           HZ2      LYS  17   7.550   0.421   4.649
    8    HZ1  LYS  17           HZ3      LYS  17   8.640   0.158   3.382
    9    H    LYS  17           HN       LYS  17   6.366  -4.059  -1.011
   10    HB3  LYS  17           HB1      LYS  17   8.321  -4.829   1.887
   11    HG3  LYS  17           HG1      LYS  17   6.285  -3.790   2.860
   12    HD3  LYS  17           HD1      LYS  17   8.382  -1.847   1.883
   13    HE3  LYS  17           HE1      LYS  17   6.542  -1.747   4.272

  No H/Q in entry =          13
  In of MODEL    8
    1    HA   ASP  18           HA       ASP  18  10.416  -7.035  -1.111
    2    HB2  ASP  18           HB2      ASP  18   8.426  -8.402  -1.533
    3    H    ASP  18           HN       ASP  18   7.886  -5.748  -1.613
    4    HB3  ASP  18           HB1      ASP  18   8.252  -7.679  -3.129

  No H/Q in entry =           4
  In of MODEL    8
    1    HA   ASN  19           HA       ASN  19  11.191  -5.360  -5.338
    2    HB2  ASN  19           HB2      ASN  19   8.913  -4.857  -6.132
    3   HD21  ASN  19          HD21      ASN  19  10.111  -5.301  -7.978
    4   HD22  ASN  19          HD22      ASN  19  10.805  -4.048  -8.945
    5    H    ASN  19           HN       ASN  19   9.177  -4.747  -3.272
    6    HB3  ASN  19           HB1      ASN  19   9.014  -3.261  -5.393

  No H/Q in entry =           6
  In of MODEL    8
    1    HA   VAL  20           HA       VAL  20  12.576  -1.136  -4.265
    2    HB   VAL  20           HB       VAL  20  10.349   0.178  -2.762
    3    H    VAL  20           HN       VAL  20  10.000  -2.365  -3.855

  No H/Q in entry =           3
  In of MODEL    8
    1    HA   HIS  21           HA       HIS  21  12.570  -1.241   0.289
    2    HB2  HIS  21           HB2      HIS  21  10.033  -2.119   0.607
    3    HD1  HIS  21           HD1      HIS  21  11.246   0.302   1.643
    4    HD2  HIS  21           HD2      HIS  21  11.123  -3.158   3.939
    5    HE1  HIS  21           HE1      HIS  21  11.472   1.068   4.026
    6    HE2  HIS  21           HE2      HIS  21  11.358  -1.039   5.402
    7    H    HIS  21           HN       HIS  21  10.831  -2.603  -1.589
    8    HB3  HIS  21           HB1      HIS  21  10.928  -3.482   1.273

  No H/Q in entry =           8
  In of MODEL    8
    1    HA   ASP  22           HA       ASP  22  14.022  -5.771   0.337
    2    HB2  ASP  22           HB2      ASP  22  12.804  -6.858  -1.516
    3    H    ASP  22           HN       ASP  22  12.254  -4.411  -1.343
    4    HB3  ASP  22           HB1      ASP  22  13.834  -6.018  -2.675

  No H/Q in entry =           4
  In of MODEL    8
    1    HA   LYS  23           HA       LYS  23  17.591  -4.017  -2.331
    2    HB2  LYS  23           HB2      LYS  23  17.612  -2.017  -3.788
    3    HG2  LYS  23           HG2      LYS  23  14.631  -2.122  -3.385
    4    HD2  LYS  23           HD2      LYS  23  15.511  -1.904  -5.827
    5    HE2  LYS  23           HE2      LYS  23  16.002   0.871  -4.759
    6    HZ1  LYS  23           HZ1      LYS  23  16.203  -0.192  -7.525
    7    HZ3  LYS  23           HZ2      LYS  23  16.657   1.361  -7.035
    8    HZ2  LYS  23           HZ3      LYS  23  15.034   0.895  -6.965
    9    H    LYS  23           HN       LYS  23  14.991  -4.151  -2.859
   10    HB3  LYS  23           HB1      LYS  23  16.596  -3.308  -4.418
   11    HG3  LYS  23           HG1      LYS  23  15.716  -0.767  -3.064
   12    HD3  LYS  23           HD1      LYS  23  14.277  -0.789  -5.235
   13    HE3  LYS  23           HE1      LYS  23  17.242  -0.243  -5.335

  No H/Q in entry =          13
  In of MODEL    8
    1    HA   ILE  24           HA       ILE  24  17.046   0.165  -0.127
    2    HB   ILE  24           HB       ILE  24  14.222  -0.419   0.724
    3   HD12  ILE  24          HD11      ILE  24  13.407   2.764   0.137
    4   HD11  ILE  24          HD12      ILE  24  12.621   1.193  -0.019
    5   HD13  ILE  24          HD13      ILE  24  12.958   2.151  -1.457
    6    H    ILE  24           HN       ILE  24  15.172  -1.675  -1.052

  No H/Q in entry =           6
  In of MODEL    8
    1    HA   GLN  25           HA       GLN  25  16.364  -1.699   4.352
    2    HB2  GLN  25           HB2      GLN  25  16.020  -4.482   3.216
    3    HG2  GLN  25           HG2      GLN  25  13.981  -2.574   4.257
    4   HE21  GLN  25          HE21      GLN  25  11.973  -4.602   3.583
    5   HE22  GLN  25          HE22      GLN  25  11.874  -5.643   4.959
    6    H    GLN  25           HN       GLN  25  15.159  -2.045   2.002
    7    HB3  GLN  25           HB1      GLN  25  16.050  -4.042   4.914
    8    HG3  GLN  25           HG1      GLN  25  13.889  -3.696   2.898

  No H/Q in entry =           8
  In of MODEL    8
    1    HA   GLU  26           HA       GLU  26  20.050  -4.534   3.114
    2    HB2  GLU  26           HB2      GLU  26  19.221  -5.680   1.129
    3    HG2  GLU  26           HG2      GLU  26  21.222  -5.757  -0.274
    4    H    GLU  26           HN       GLU  26  17.583  -3.954   2.024
    5    HB3  GLU  26           HB1      GLU  26  19.425  -4.219   0.173
    6    HG3  GLU  26           HG1      GLU  26  21.846  -4.328   0.547

  No H/Q in entry =           6
  In of MODEL    8
    1    HA   LEU  27           HA       LEU  27  22.190  -0.877   1.216
    2    HB2  LEU  27           HB2      LEU  27  20.338  -0.134  -1.019
    3    HG   LEU  27           HG       LEU  27  21.011  -2.577  -1.146
    4   HD13  LEU  27          HD11      LEU  27  21.325  -2.469  -3.457
    5   HD12  LEU  27          HD12      LEU  27  22.205  -0.945  -3.357
    6   HD11  LEU  27          HD13      LEU  27  20.466  -0.978  -3.062
    7   HD21  LEU  27          HD21      LEU  27  23.257  -2.300  -0.167
    8   HD23  LEU  27          HD22      LEU  27  23.746  -1.386  -1.593
    9   HD22  LEU  27          HD23      LEU  27  23.303  -3.084  -1.745
   10    H    LEU  27           HN       LEU  27  19.651  -2.117   0.508
   11    HB3  LEU  27           HB1      LEU  27  22.042   0.240  -0.865

  No H/Q in entry =          11
  In of MODEL    8
    1    HA   LYS  28           HA       LYS  28  19.600   3.029   1.207
    2    HB2  LYS  28           HB2      LYS  28  17.069   1.811   0.162
    3    HG2  LYS  28           HG2      LYS  28  17.947   3.435  -1.782
    4    HD2  LYS  28           HD2      LYS  28  18.800   0.563  -1.479
    5    HE2  LYS  28           HE2      LYS  28  19.725   1.643  -3.446
    6    HZ3  LYS  28           HZ1      LYS  28  18.226   2.525  -5.147
    7    HZ2  LYS  28           HZ2      LYS  28  18.167   3.440  -3.725
    8    HZ1  LYS  28           HZ3      LYS  28  16.916   2.362  -4.087
    9    H    LYS  28           HN       LYS  28  18.938   0.319   0.508
   10    HB3  LYS  28           HB1      LYS  28  17.357   3.519   0.369
   11    HG3  LYS  28           HG1      LYS  28  19.483   2.839  -1.146
   12    HD3  LYS  28           HD1      LYS  28  17.173   1.074  -1.933
   13    HE3  LYS  28           HE1      LYS  28  18.471   0.492  -3.909

  No H/Q in entry =          13
  In of MODEL    8
    1    HA   ASP  29           HA       ASP  29  16.152   1.191   4.345
    2    HB2  ASP  29           HB2      ASP  29  17.639  -0.686   4.971
    3    H    ASP  29           HN       ASP  29  18.430   0.528   3.123
    4    HB3  ASP  29           HB1      ASP  29  18.632   0.442   5.883

  No H/Q in entry =           4
  In of MODEL    8
    1    HA   ASP  30           HA       ASP  30  17.830   4.614   6.912
    2    HB2  ASP  30           HB2      ASP  30  20.255   5.357   5.263
    3    H    ASP  30           HN       ASP  30  18.909   3.341   4.507
    4    HB3  ASP  30           HB1      ASP  30  19.791   6.083   6.799

  No H/Q in entry =           4
  In of MODEL    8
    1    HA   VAL  31           HA       VAL  31  17.032   8.096   3.987
    2    HB   VAL  31           HB       VAL  31  19.281   8.814   3.619
    3    H    VAL  31           HN       VAL  31  19.126   6.096   4.015

  No H/Q in entry =           3
  In of MODEL    8
    1    HA3  GLY  32           HA2      GLY  32  16.506   6.519  -0.556
    2    H    GLY  32           HN       GLY  32  18.332   6.033   1.478
    3    HA2  GLY  32           HA1      GLY  32  17.335   4.984  -0.364

  No H/Q in entry =           3
  In of MODEL    8
    1    HA   ASN  33           HA       ASN  33  13.950   3.097   1.862
    2    HB2  ASN  33           HB2      ASN  33  15.122   3.776   4.072
    3   HD21  ASN  33          HD21      ASN  33  11.705   4.149   4.552
    4   HD22  ASN  33          HD22      ASN  33  11.396   2.529   5.065
    5    H    ASN  33           HN       ASN  33  15.953   4.923   2.365
    6    HB3  ASN  33           HB1      ASN  33  13.790   4.918   4.233

  No H/Q in entry =           6
  In of MODEL    8
    1    HA   LYS  34           HA       LYS  34  10.914   6.572   1.634
    2    HB2  LYS  34           HB2      LYS  34  12.912   8.382   1.252
    3    HG2  LYS  34           HG2      LYS  34  10.870   8.909   2.438
    4    HD2  LYS  34           HD2      LYS  34   9.565   9.240  -0.254
    5    HE2  LYS  34           HE2      LYS  34   7.524   9.468   1.065
    6    HZ2  LYS  34           HZ1      LYS  34   7.986  11.614   2.063
    7    HZ1  LYS  34           HZ2      LYS  34   8.762  11.487   0.565
    8    HZ3  LYS  34           HZ3      LYS  34   9.651  11.322   1.994
    9    H    LYS  34           HN       LYS  34  13.709   6.284   0.963
   10    HB3  LYS  34           HB1      LYS  34  12.069   8.463  -0.286
   11    HG3  LYS  34           HG1      LYS  34  11.218  10.139   1.223
   12    HD3  LYS  34           HD1      LYS  34   9.319   7.842   0.794
   13    HE3  LYS  34           HE1      LYS  34   8.461   9.294   2.548

  No H/Q in entry =          13
  In of MODEL    8
    1    HA   ALA  35           HA       ALA  35  11.089   5.865  -3.115
    2    HB2  ALA  35           HB1      ALA  35  13.144   3.699  -2.707
    3    HB1  ALA  35           HB2      ALA  35  13.393   5.269  -3.470
    4    HB3  ALA  35           HB3      ALA  35  12.357   4.069  -4.241
    5    H    ALA  35           HN       ALA  35  12.812   5.374  -0.936

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   ALA  36           HA       ALA  36   9.168   1.711  -2.071
    2    HB3  ALA  36           HB1      ALA  36  10.110   1.453   0.790
    3    HB1  ALA  36           HB2      ALA  36  10.910   0.710  -0.593
    4    HB2  ALA  36           HB3      ALA  36   9.265   0.225  -0.165
    5    H    ALA  36           HN       ALA  36  11.094   3.341  -0.648

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   GLU  37           HA       GLU  37   6.573   3.915   1.163
    2    HB2  GLU  37           HB2      GLU  37   8.456   6.275   1.393
    3    HG2  GLU  37           HG2      GLU  37   7.792   4.127   3.397
    4    H    GLU  37           HN       GLU  37   9.195   4.396  -0.014
    5    HB3  GLU  37           HB1      GLU  37   6.936   6.112   2.261
    6    HG3  GLU  37           HG1      GLU  37   9.315   4.285   2.522

  No H/Q in entry =           6
  In of MODEL    8
    1    HA   VAL  38           HA       VAL  38   5.891   7.370  -1.988
    2    HB   VAL  38           HB       VAL  38   8.312   6.610  -3.642
    3    H    VAL  38           HN       VAL  38   8.120   5.672  -1.402

  No H/Q in entry =           3
  In of MODEL    8
    1    HA   ARG  39           HA       ARG  39   5.513   3.827  -5.337
    2    HB2  ARG  39           HB2      ARG  39   7.437   2.385  -4.327
    3    HG2  ARG  39           HG2      ARG  39   6.116   1.774  -6.373
    4    HD2  ARG  39           HD2      ARG  39   4.556   0.184  -4.343
    5    HE   ARG  39           HE       ARG  39   5.104  -0.564  -6.989
    6   HH11  ARG  39          HH11      ARG  39   2.395  -0.158  -4.834
    7   HH12  ARG  39          HH12      ARG  39   1.424  -1.355  -5.622
    8   HH21  ARG  39          HH21      ARG  39   3.833  -2.142  -8.032
    9   HH22  ARG  39          HH22      ARG  39   2.242  -2.485  -7.440
   10    H    ARG  39           HN       ARG  39   7.208   4.339  -3.250
   11    HB3  ARG  39           HB1      ARG  39   6.164   1.649  -3.368
   12    HG3  ARG  39           HG1      ARG  39   6.775   0.420  -5.457
   13    HD3  ARG  39           HD1      ARG  39   3.933   1.428  -5.423

  No H/Q in entry =          13
  In of MODEL    8
    1    HA   ASP  40           HA       ASP  40   2.324   2.081  -2.331
    2    HB2  ASP  40           HB2      ASP  40   3.581   1.410  -0.373
    3    H    ASP  40           HN       ASP  40   4.938   3.095  -1.883
    4    HB3  ASP  40           HB1      ASP  40   3.690   3.078   0.178

  No H/Q in entry =           4
  In of MODEL    8
    1    HA   ALA  41           HA       ALA  41   1.352   6.607  -0.991
    2    HB3  ALA  41           HB1      ALA  41   2.393   8.634  -1.751
    3    HB1  ALA  41           HB2      ALA  41   3.440   7.733  -2.848
    4    HB2  ALA  41           HB3      ALA  41   3.634   7.561  -1.103
    5    H    ALA  41           HN       ALA  41   3.611   5.267  -2.010

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   VAL  42           HA       VAL  42   0.272   7.600  -5.560
    2    HB   VAL  42           HB       VAL  42   0.915   6.187  -7.597
    3    H    VAL  42           HN       VAL  42   2.481   6.372  -4.375

  No H/Q in entry =           3
  In of MODEL    8
    1    HA   SER  43           HA       SER  43  -1.331   3.046  -6.096
    2    HB2  SER  43           HB2      SER  43   0.014   2.205  -3.513
    3    HG   SER  43           HG       SER  43   1.536   1.444  -4.735
    4    H    SER  43           HN       SER  43   0.907   4.202  -4.924
    5    HB3  SER  43           HB1      SER  43  -1.051   1.195  -4.489

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   SER  44           HA       SER  44  -3.426   3.736  -1.729
    2    HB2  SER  44           HB2      SER  44  -1.594   4.673  -0.410
    3    HG   SER  44           HG       SER  44  -2.819   6.173   0.763
    4    H    SER  44           HN       SER  44  -0.946   4.164  -2.766
    5    HB3  SER  44           HB1      SER  44  -1.716   6.195  -1.292

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   THR  45           HA       THR  45  -4.841   7.921  -3.670
    2    HB   THR  45           HB       THR  45  -3.070   7.612  -6.105
    3    HG1  THR  45           HG1      THR  45  -1.927   8.318  -4.231
    4   HG21  THR  45          HG21      THR  45  -5.009   9.786  -5.303
    5   HG23  THR  45          HG22      THR  45  -5.187   8.669  -6.654
    6   HG22  THR  45          HG23      THR  45  -3.898   9.872  -6.670
    7    H    THR  45           HN       THR  45  -2.493   6.404  -3.869

  No H/Q in entry =           7
  In of MODEL    8
    1    HA   VAL  46           HA       VAL  46  -6.473   5.247  -7.212
    2    HB   VAL  46           HB       VAL  46  -4.475   2.993  -6.907
    3    H    VAL  46           HN       VAL  46  -4.015   5.178  -5.705

  No H/Q in entry =           3
  In of MODEL    8
    1    HA   GLU  47           HA       GLU  47  -7.171   1.261  -4.388
    2    HB2  GLU  47           HB2      GLU  47  -5.073   2.434  -2.613
    3    HG2  GLU  47           HG2      GLU  47  -5.539  -0.454  -3.185
    4    H    GLU  47           HN       GLU  47  -5.128   2.861  -5.001
    5    HB3  GLU  47           HB1      GLU  47  -6.282   1.346  -1.944
    6    HG3  GLU  47           HG1      GLU  47  -4.707   0.565  -4.359

  No H/Q in entry =           6
  In of MODEL    8
    1    HA   SER  48           HA       SER  48  -9.243   4.371  -1.652
    2    HB2  SER  48           HB2      SER  48  -8.021   6.884  -2.829
    3    HG   SER  48           HG       SER  48  -7.570   5.976  -0.219
    4    H    SER  48           HN       SER  48  -7.178   4.636  -3.690
    5    HB3  SER  48           HB1      SER  48  -9.126   6.817  -1.455

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   ILE  49           HA       ILE  49 -11.623   6.786  -4.974
    2    HB   ILE  49           HB       ILE  49 -11.114   6.908  -7.482
    3   HD13  ILE  49          HD11      ILE  49  -9.436   4.364  -7.418
    4   HD12  ILE  49          HD12      ILE  49  -8.220   4.996  -8.529
    5   HD11  ILE  49          HD13      ILE  49  -9.927   5.350  -8.796
    6    H    ILE  49           HN       ILE  49  -8.910   6.177  -4.729

  No H/Q in entry =           6
  In of MODEL    8
    1    HA   LYS  50           HA       LYS  50 -11.979   2.775  -7.255
    2    HB2  LYS  50           HB2      LYS  50 -10.786   0.636  -7.035
    3    HG2  LYS  50           HG2      LYS  50  -8.626   1.883  -5.467
    4    HD2  LYS  50           HD2      LYS  50  -8.669  -0.582  -4.621
    5    HE2  LYS  50           HE2      LYS  50  -6.943   0.474  -6.097
    6    HZ1  LYS  50           HZ1      LYS  50  -8.611  -0.676  -8.271
    7    HZ3  LYS  50           HZ2      LYS  50  -7.055  -0.040  -8.459
    8    HZ2  LYS  50           HZ3      LYS  50  -8.331   0.972  -8.003
    9    H    LYS  50           HN       LYS  50  -9.998   3.806  -5.451
   10    HB3  LYS  50           HB1      LYS  50  -9.711   1.965  -7.442
   11    HG3  LYS  50           HG1      LYS  50 -10.016   1.270  -4.584
   12    HD3  LYS  50           HD1      LYS  50  -9.654  -0.845  -6.061
   13    HE3  LYS  50           HE1      LYS  50  -7.203  -1.247  -6.383

  No H/Q in entry =          13
  In of MODEL    8
    1    HA   ASP  51           HA       ASP  51 -13.611   0.463  -3.644
    2    HB2  ASP  51           HB2      ASP  51 -11.042   0.208  -2.464
    3    H    ASP  51           HN       ASP  51 -11.059   1.746  -3.897
    4    HB3  ASP  51           HB1      ASP  51 -12.226   0.470  -1.180

  No H/Q in entry =           4
  In of MODEL    8
    1    HA   LYS  52           HA       LYS  52 -14.123   3.771  -0.356
    2    HB2  LYS  52           HB2      LYS  52 -11.765   4.573  -0.211
    3    HG2  LYS  52           HG2      LYS  52 -13.779   5.658   1.026
    4    HD2  LYS  52           HD2      LYS  52 -14.340   7.098  -0.991
    5    HE2  LYS  52           HE2      LYS  52 -12.041   7.786  -1.520
    6    HZ2  LYS  52           HZ1      LYS  52 -10.959   9.441  -0.158
    7    HZ1  LYS  52           HZ2      LYS  52 -11.216   8.037   0.749
    8    HZ3  LYS  52           HZ3      LYS  52 -12.213   9.385   0.976
    9    H    LYS  52           HN       LYS  52 -12.052   3.289  -2.256
   10    HB3  LYS  52           HB1      LYS  52 -12.135   5.744  -1.465
   11    HG3  LYS  52           HG1      LYS  52 -12.202   6.450   1.027
   12    HD3  LYS  52           HD1      LYS  52 -14.219   7.924   0.562
   13    HE3  LYS  52           HE1      LYS  52 -13.107   9.164  -1.247

  No H/Q in entry =          13
  In of MODEL    8
    1    HA   LEU  53           HA       LEU  53 -15.748   6.716  -3.586
    2    HB2  LEU  53           HB2      LEU  53 -13.315   6.577  -5.087
    3    HG   LEU  53           HG       LEU  53 -13.996   8.749  -6.003
    4   HD13  LEU  53          HD11      LEU  53 -16.345   8.264  -6.386
    5   HD12  LEU  53          HD12      LEU  53 -16.169   9.707  -5.384
    6   HD11  LEU  53          HD13      LEU  53 -16.625   8.169  -4.647
    7   HD21  LEU  53          HD21      LEU  53 -14.503   8.325  -3.065
    8   HD23  LEU  53          HD22      LEU  53 -14.367   9.917  -3.814
    9   HD22  LEU  53          HD23      LEU  53 -12.996   8.809  -3.843
   10    H    LEU  53           HN       LEU  53 -13.352   5.099  -3.556
   11    HB3  LEU  53           HB1      LEU  53 -14.660   6.424  -6.194

  No H/Q in entry =          11
  In of MODEL    8
    1    HA   SER  54           HA       SER  54 -16.268   2.567  -6.177
    2    HB2  SER  54           HB2      SER  54 -15.181   1.156  -4.492
    3    HG   SER  54           HG       SER  54 -16.718  -0.550  -4.539
    4    H    SER  54           HN       SER  54 -15.029   3.549  -4.003
    5    HB3  SER  54           HB1      SER  54 -16.527   1.429  -3.390

  No H/Q in entry =           5
  In of MODEL    8
    1    HA3  GLY  55           HA2      GLY  55 -20.008   4.961  -3.589
    2    H    GLY  55           HN       GLY  55 -17.833   3.946  -3.370
    3    HA2  GLY  55           HA1      GLY  55 -20.421   3.718  -4.763

  No H/Q in entry =           3
  In of MODEL    8
    1    HA3  GLY  56           HA2      GLY  56 -21.498   1.377  -1.197
    2    H    GLY  56           HN       GLY  56 -19.655   1.431  -3.496
    3    HA2  GLY  56           HA1      GLY  56 -21.159   0.009  -2.248

  No H/Q in entry =           3
  In of MODEL    8
    1    HA   SER  57           HA       SER  57 -17.051   0.731   0.183
    2    HB2  SER  57           HB2      SER  57 -16.748   2.128   2.243
    3    HG   SER  57           HG       SER  57 -18.378   3.177   3.033
    4    H    SER  57           HN       SER  57 -19.226   2.311  -0.344
    5    HB3  SER  57           HB1      SER  57 -17.057   3.068   0.784

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   SER  58           HA       SER  58 -18.108  -1.931   3.480
    2    HB2  SER  58           HB2      SER  58 -19.295  -3.276   1.039
    3    HG   SER  58           HG       SER  58 -20.982  -2.085   1.426
    4    H    SER  58           HN       SER  58 -17.089  -1.309   0.858
    5    HB3  SER  58           HB1      SER  58 -19.538  -3.814   2.702

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   SER  59           HA       SER  59 -16.828  -6.621   2.863
    2    HB2  SER  59           HB2      SER  59 -15.113  -4.867   1.095
    3    HG   SER  59           HG       SER  59 -17.350  -6.374   0.695
    4    H    SER  59           HN       SER  59 -18.186  -4.810   2.892
    5    HB3  SER  59           HB1      SER  59 -14.835  -6.587   1.364

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   ARG  60           HA       ARG  60 -13.139  -5.746   5.240
    2    HB2  ARG  60           HB2      ARG  60 -11.678  -5.627   2.893
    3    HG2  ARG  60           HG2      ARG  60 -11.221  -7.098   4.821
    4    HD2  ARG  60           HD2      ARG  60  -9.970  -4.612   5.980
    5    HE   ARG  60           HE       ARG  60  -9.314  -7.328   6.490
    6   HH11  ARG  60          HH11      ARG  60  -9.830  -4.260   8.062
    7   HH12  ARG  60          HH12      ARG  60  -8.805  -4.632   9.407
    8   HH21  ARG  60          HH21      ARG  60  -7.960  -7.822   8.257
    9   HH22  ARG  60          HH22      ARG  60  -7.741  -6.654   9.517
   10    H    ARG  60           HN       ARG  60 -13.790  -5.062   2.521
   11    HB3  ARG  60           HB1      ARG  60 -11.083  -4.263   3.828
   12    HG3  ARG  60           HG1      ARG  60  -9.775  -6.306   4.192
   13    HD3  ARG  60           HD1      ARG  60 -11.355  -5.490   6.629

  No H/Q in entry =          13
  In of MODEL    8
    1    HA   ALA  61           HA       ALA  61 -14.083  -1.100   5.228
    2    HB3  ALA  61           HB1      ALA  61 -16.205  -0.521   6.220
    3    HB1  ALA  61           HB2      ALA  61 -16.525  -2.213   6.603
    4    HB2  ALA  61           HB3      ALA  61 -16.463  -1.685   4.922
    5    H    ALA  61           HN       ALA  61 -15.073  -3.711   5.050

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   SER  62           HA       SER  62 -13.720  -2.205   9.863
    2    HB2  SER  62           HB2      SER  62 -12.775  -4.274  10.831
    3    HG   SER  62           HG       SER  62 -13.071  -5.594   8.392
    4    H    SER  62           HN       SER  62 -13.900  -3.705   7.459
    5    HB3  SER  62           HB1      SER  62 -14.232  -4.598   9.893

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   SER  63           HA       SER  63  -9.178  -2.202   8.554
    2    HB2  SER  63           HB2      SER  63  -9.267  -2.909   6.252
    3    HG   SER  63           HG       SER  63  -8.128  -0.322   6.187
    4    H    SER  63           HN       SER  63 -11.729  -2.228   7.243
    5    HB3  SER  63           HB1      SER  63 -10.024  -1.393   5.766

  No H/Q in entry =           5
  In of MODEL    8
    1    HA   TYR  64           HA       TYR  64  -8.954   2.359   8.042
    2    HB2  TYR  64           HB2      TYR  64  -9.204   1.430  10.437
    3    HD1  TYR  64           HD1      TYR  64  -6.581   3.764  11.109
    4    HD2  TYR  64           HD2      TYR  64 -10.638   3.468   9.863
    5    HE1  TYR  64           HE1      TYR  64  -6.934   6.121  11.715
    6    HE2  TYR  64           HE2      TYR  64 -11.002   5.824  10.466
    7    HH   TYR  64           HH       TYR  64 -10.013   7.516  11.954
    8    H    TYR  64           HN       TYR  64  -7.709  -0.217   8.025
    9    HB3  TYR  64           HB1      TYR  64  -7.463   1.662  10.562

  No H/Q in entry =           9
  In of MODEL    8
    1    HA   THR  65           HA       THR  65  -4.553   2.463   7.107
    2    HB   THR  65           HB       THR  65  -3.661   1.421   5.097
    3    HG1  THR  65           HG1      THR  65  -4.935   0.661   3.554
    4   HG23  THR  65          HG21      THR  65  -3.800   0.066   7.110
    5   HG22  THR  65          HG22      THR  65  -4.094  -0.932   5.686
    6   HG21  THR  65          HG23      THR  65  -5.445  -0.416   6.694
    7    H    THR  65           HN       THR  65  -7.191   1.497   6.259

  No H/Q in entry =           7
  In of MODEL    8
    1    HA   LEU  66           HA       LEU  66  -5.226   4.935   3.166
    2    HB2  LEU  66           HB2      LEU  66  -7.679   3.418   2.409
    3    HG   LEU  66           HG       LEU  66  -5.256   4.279   0.834
    4   HD13  LEU  66          HD11      LEU  66  -4.754   2.484   2.375
    5   HD12  LEU  66          HD12      LEU  66  -4.790   1.868   0.724
    6   HD11  LEU  66          HD13      LEU  66  -6.151   1.572   1.805
    7   HD22  LEU  66          HD21      LEU  66  -6.199   3.545  -1.075
    8   HD21  LEU  66          HD22      LEU  66  -7.686   3.992  -0.241
    9   HD23  LEU  66          HD23      LEU  66  -7.155   2.310  -0.259
   10    H    LEU  66           HN       LEU  66  -6.533   2.617   4.133
   11    HB3  LEU  66           HB1      LEU  66  -7.446   5.021   1.739

  No H/Q in entry =          11
  In of MODEL    8
    1    HA   GLU  67           HA       GLU  67  -9.150   7.062   4.899
    2    HB2  GLU  67           HB2      GLU  67  -9.525   4.896   6.968
    3    HG2  GLU  67           HG2      GLU  67 -10.514   4.451   4.755
    4    H    GLU  67           HN       GLU  67  -8.166   4.424   5.035
    5    HB3  GLU  67           HB1      GLU  67 -10.378   6.433   7.015
    6    HG3  GLU  67           HG1      GLU  67 -11.713   4.616   6.037

  No H/Q in entry =           6
  In of MODEL    9
    1    H1   MET   1           HT1      MET   1 -11.735   2.953   4.044
    2    H2   MET   1           HT3      MET   1 -10.283   2.087   4.000
    3    H3   MET   1           HT2      MET   1 -10.392   3.591   3.240
    4    HB3  MET   1           HB1      MET   1 -10.279   0.685   0.953
    5    HG3  MET   1           HG1      MET   1 -10.768   2.541  -0.494
    6    HA   MET   1           HA       MET   1 -11.949   2.748   1.649
    7    HB2  MET   1           HB2      MET   1  -9.250   1.691   1.970
    8    HG2  MET   1           HG2      MET   1  -9.016   2.366  -0.325
    9    HE1  MET   1           HE1      MET   1  -8.669   3.365   2.566
   10    HE3  MET   1           HE2      MET   1  -8.636   5.126   2.647
   11    HE2  MET   1           HE3      MET   1  -7.572   4.277   1.530

  No H/Q in entry =          11
  In of MODEL    9
    1    HA   ASP   2           HA       ASP   2 -13.798  -1.050   2.583
    2    HB2  ASP   2           HB2      ASP   2 -15.057  -0.066   0.754
    3    H    ASP   2           HN       ASP   2 -12.194   0.332   0.559
    4    HB3  ASP   2           HB1      ASP   2 -14.108  -0.976  -0.415

  No H/Q in entry =           4
  In of MODEL    9
    1    HA   GLN   3           HA       GLN   3 -12.217  -4.944   0.990
    2    HB2  GLN   3           HB2      GLN   3 -14.124  -5.150  -0.626
    3    HG2  GLN   3           HG2      GLN   3 -11.663  -6.680  -1.435
    4   HE21  GLN   3          HE21      GLN   3 -12.034  -8.576  -2.556
    5   HE22  GLN   3          HE22      GLN   3 -13.522  -8.895  -3.375
    6    H    GLN   3           HN       GLN   3 -13.423  -2.707  -0.366
    7    HB3  GLN   3           HB1      GLN   3 -13.007  -4.708  -1.906
    8    HG3  GLN   3           HG1      GLN   3 -12.754  -7.119  -0.123

  No H/Q in entry =           8
  In of MODEL    9
    1    HA   GLU   4           HA       GLU   4  -9.034  -3.712  -2.154
    2    HB2  GLU   4           HB2      GLU   4  -8.043  -1.614  -2.717
    3    HG2  GLU   4           HG2      GLU   4  -8.815   0.514  -1.816
    4    H    GLU   4           HN       GLU   4 -11.030  -2.307  -0.751
    5    HB3  GLU   4           HB1      GLU   4  -9.785  -1.427  -2.796
    6    HG3  GLU   4           HG1      GLU   4  -9.732  -0.344  -0.582

  No H/Q in entry =           6
  In of MODEL    9
    1    HA   THR   5           HA       THR   5  -6.445  -2.467   1.621
    2    HB   THR   5           HB       THR   5  -7.618  -1.726   3.456
    3    HG1  THR   5           HG1      THR   5  -7.532  -3.983   4.846
    4   HG23  THR   5          HG21      THR   5  -9.815  -2.378   2.993
    5   HG22  THR   5          HG22      THR   5  -9.443  -3.147   4.535
    6   HG21  THR   5          HG23      THR   5  -9.408  -4.091   3.047
    7    H    THR   5           HN       THR   5  -9.200  -2.647   1.165

  No H/Q in entry =           7
  In of MODEL    9
    1    HA   ARG   6           HA       ARG   6  -6.658  -7.055   3.020
    2    HB2  ARG   6           HB2      ARG   6  -8.231  -8.814   2.063
    3    HG2  ARG   6           HG2      ARG   6  -9.917  -6.383   1.545
    4    HD2  ARG   6           HD2      ARG   6 -11.280  -7.997   2.683
    5    HE   ARG   6           HE       ARG   6  -9.691  -9.967   1.524
    6   HH11  ARG   6          HH11      ARG   6 -13.078  -9.342   2.057
    7   HH12  ARG   6          HH12      ARG   6 -13.506 -11.018   2.141
    8   HH21  ARG   6          HH21      ARG   6 -10.245 -12.173   1.633
    9   HH22  ARG   6          HH22      ARG   6 -11.896 -12.627   1.901
   10    H    ARG   6           HN       ARG   6  -8.517  -5.241   2.552
   11    HB3  ARG   6           HB1      ARG   6  -8.860  -7.762   3.322
   12    HG3  ARG   6           HG1      ARG   6  -9.388  -7.586   0.367
   13    HD3  ARG   6           HD1      ARG   6 -11.670  -8.043   0.964

  No H/Q in entry =          13
  In of MODEL    9
    1    HA   ASP   7           HA       ASP   7  -5.975  -8.622  -1.276
    2    HB2  ASP   7           HB2      ASP   7  -7.884  -8.827  -2.486
    3    H    ASP   7           HN       ASP   7  -8.037  -6.952  -0.344
    4    HB3  ASP   7           HB1      ASP   7  -8.186  -7.101  -2.470

  No H/Q in entry =           4
  In of MODEL    9
    1    HA   GLN   8           HA       GLN   8  -4.006  -4.987  -3.262
    2    HB2  GLN   8           HB2      GLN   8  -5.757  -2.750  -2.250
    3    HG2  GLN   8           HG2      GLN   8  -6.813  -4.300  -3.915
    4   HE21  GLN   8          HE21      GLN   8  -6.962  -5.000  -6.045
    5   HE22  GLN   8          HE22      GLN   8  -5.598  -5.021  -7.104
    6    H    GLN   8           HN       GLN   8  -6.401  -5.101  -1.633
    7    HB3  GLN   8           HB1      GLN   8  -4.420  -2.566  -3.373
    8    HG3  GLN   8           HG1      GLN   8  -6.692  -2.611  -4.410

  No H/Q in entry =           8
  In of MODEL    9
    1    HA   MET   9           HA       MET   9  -2.517  -2.283   0.401
    2    HB2  MET   9           HB2      MET   9  -4.784  -2.153   1.677
    3    HG2  MET   9           HG2      MET   9  -2.755  -0.844   2.252
    4    HE3  MET   9           HE1      MET   9  -0.310  -0.578   3.010
    5    HE2  MET   9           HE2      MET   9   0.214  -1.251   4.554
    6    HE1  MET   9           HE3      MET   9  -1.211  -0.215   4.483
    7    H    MET   9           HN       MET   9  -4.962  -3.358  -0.210
    8    HB3  MET   9           HB1      MET   9  -4.132  -3.495   2.611
    9    HG3  MET   9           HG1      MET   9  -3.763  -1.267   3.633

  No H/Q in entry =           9
  In of MODEL    9
    1    HA   LYS  10           HA       LYS  10  -1.168  -6.222   2.621
    2    HB2  LYS  10           HB2      LYS  10  -3.261  -8.046   1.442
    3    HG2  LYS  10           HG2      LYS  10  -4.135  -6.626   3.245
    4    HD2  LYS  10           HD2      LYS  10  -1.828  -6.462   4.386
    5    HE2  LYS  10           HE2      LYS  10  -1.630  -8.042   6.311
    6    HZ3  LYS  10           HZ1      LYS  10  -1.472  -9.405   3.682
    7    HZ2  LYS  10           HZ2      LYS  10  -0.592  -9.778   5.075
    8    HZ1  LYS  10           HZ3      LYS  10  -0.306  -8.325   4.259
    9    H    LYS  10           HN       LYS  10  -3.615  -5.583   1.365
   10    HB3  LYS  10           HB1      LYS  10  -1.954  -8.562   2.494
   11    HG3  LYS  10           HG1      LYS  10  -4.072  -8.330   3.696
   12    HD3  LYS  10           HD1      LYS  10  -3.267  -6.567   5.399
   13    HE3  LYS  10           HE1      LYS  10  -2.880  -9.029   5.559

  No H/Q in entry =          13
  In of MODEL    9
    1    HA   ASN  11           HA       ASN  11   0.091  -8.267  -1.359
    2    HB2  ASN  11           HB2      ASN  11  -2.137  -8.858  -2.312
    3   HD21  ASN  11          HD21      ASN  11   0.727  -9.271  -2.662
    4   HD22  ASN  11          HD22      ASN  11   0.946  -9.738  -4.310
    5    H    ASN  11           HN       ASN  11  -2.318  -6.814  -0.688
    6    HB3  ASN  11           HB1      ASN  11  -2.131  -7.328  -3.184

  No H/Q in entry =           6
  In of MODEL    9
    1    HA   ALA  12           HA       ALA  12   0.649  -4.497  -4.361
    2    HB3  ALA  12           HB1      ALA  12  -1.495  -3.323  -4.208
    3    HB2  ALA  12           HB2      ALA  12  -0.138  -2.206  -4.073
    4    HB1  ALA  12           HB3      ALA  12  -1.032  -2.684  -2.630
    5    H    ALA  12           HN       ALA  12  -1.399  -5.328  -2.792

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   ALA  13           HA       ALA  13   2.657  -2.222  -0.624
    2    HB3  ALA  13           HB1      ALA  13   0.919  -2.339   1.117
    3    HB1  ALA  13           HB2      ALA  13   2.522  -2.717   1.749
    4    HB2  ALA  13           HB3      ALA  13   1.369  -4.014   1.435
    5    H    ALA  13           HN       ALA  13   0.271  -3.611  -0.934

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   ALA  14           HA       ALA  14   4.447  -6.639   0.642
    2    HB3  ALA  14           HB1      ALA  14   2.388  -7.977   0.350
    3    HB2  ALA  14           HB2      ALA  14   3.831  -8.742  -0.316
    4    HB1  ALA  14           HB3      ALA  14   2.671  -7.962  -1.390
    5    H    ALA  14           HN       ALA  14   2.054  -5.661   0.092

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   GLU  15           HA       GLU  15   5.898  -6.979  -3.869
    2    HB2  GLU  15           HB2      GLU  15   3.505  -5.534  -4.953
    3    HG2  GLU  15           HG2      GLU  15   3.421  -7.989  -4.558
    4    H    GLU  15           HN       GLU  15   3.419  -6.234  -2.815
    5    HB3  GLU  15           HB1      GLU  15   4.939  -5.806  -5.936
    6    HG3  GLU  15           HG1      GLU  15   3.120  -7.491  -6.213

  No H/Q in entry =           6
  In of MODEL    9
    1    HA   ALA  16           HA       ALA  16   6.749  -2.402  -3.994
    2    HB2  ALA  16           HB1      ALA  16   5.948  -0.525  -2.729
    3    HB1  ALA  16           HB2      ALA  16   5.172  -1.588  -1.554
    4    HB3  ALA  16           HB3      ALA  16   4.553  -1.497  -3.203
    5    H    ALA  16           HN       ALA  16   5.011  -4.064  -2.325

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   LYS  17           HA       LYS  17   8.820  -2.810   0.198
    2    HB2  LYS  17           HB2      LYS  17   7.006  -5.068   1.036
    3    HG2  LYS  17           HG2      LYS  17   6.308  -2.694   1.435
    4    HD2  LYS  17           HD2      LYS  17   8.658  -2.779   3.334
    5    HE2  LYS  17           HE2      LYS  17   6.711  -1.731   4.373
    6    HZ1  LYS  17           HZ1      LYS  17   6.711   0.060   2.004
    7    HZ3  LYS  17           HZ2      LYS  17   5.774   0.276   3.396
    8    HZ2  LYS  17           HZ3      LYS  17   5.508  -1.063   2.399
    9    H    LYS  17           HN       LYS  17   6.462  -3.982  -0.958
   10    HB3  LYS  17           HB1      LYS  17   8.490  -4.707   1.907
   11    HG3  LYS  17           HG1      LYS  17   6.414  -3.711   2.874
   12    HD3  LYS  17           HD1      LYS  17   8.483  -1.724   1.930
   13    HE3  LYS  17           HE1      LYS  17   7.955  -0.538   3.999

  No H/Q in entry =          13
  In of MODEL    9
    1    HA   ASP  18           HA       ASP  18  10.507  -6.977  -1.114
    2    HB2  ASP  18           HB2      ASP  18   8.183  -7.564  -2.939
    3    H    ASP  18           HN       ASP  18   7.982  -5.680  -1.591
    4    HB3  ASP  18           HB1      ASP  18   9.682  -8.482  -3.034

  No H/Q in entry =           4
  In of MODEL    9
    1    HA   ASN  19           HA       ASN  19  11.309  -5.297  -5.326
    2    HB2  ASN  19           HB2      ASN  19   9.021  -4.821  -6.138
    3   HD21  ASN  19          HD21      ASN  19   8.867  -2.199  -7.414
    4   HD22  ASN  19          HD22      ASN  19  10.104  -2.186  -8.619
    5    H    ASN  19           HN       ASN  19   9.263  -4.689  -3.295
    6    HB3  ASN  19           HB1      ASN  19   9.126  -3.207  -5.439

  No H/Q in entry =           6
  In of MODEL    9
    1    HA   VAL  20           HA       VAL  20  12.617  -1.040  -4.249
    2    HB   VAL  20           HB       VAL  20  10.312   0.188  -2.773
    3    H    VAL  20           HN       VAL  20  10.063  -2.317  -3.855

  No H/Q in entry =           3
  In of MODEL    9
    1    HA   HIS  21           HA       HIS  21  12.625  -1.145   0.300
    2    HB2  HIS  21           HB2      HIS  21  10.126  -1.846   0.741
    3    HD1  HIS  21           HD1      HIS  21  12.011   0.167   1.951
    4    HD2  HIS  21           HD2      HIS  21  10.907  -3.334   3.895
    5    HE1  HIS  21           HE1      HIS  21  12.394   0.607   4.396
    6    HE2  HIS  21           HE2      HIS  21  11.657  -1.503   5.559
    7    H    HIS  21           HN       HIS  21  10.884  -2.527  -1.567
    8    HB3  HIS  21           HB1      HIS  21  10.867  -3.380   1.191

  No H/Q in entry =           8
  In of MODEL    9
    1    HA   ASP  22           HA       ASP  22  14.102  -5.651   0.405
    2    HB2  ASP  22           HB2      ASP  22  12.858  -6.762  -1.433
    3    H    ASP  22           HN       ASP  22  12.335  -4.321  -1.314
    4    HB3  ASP  22           HB1      ASP  22  13.927  -5.983  -2.598

  No H/Q in entry =           4
  In of MODEL    9
    1    HA   LYS  23           HA       LYS  23  17.655  -3.986  -2.345
    2    HB2  LYS  23           HB2      LYS  23  17.666  -1.980  -3.808
    3    HG2  LYS  23           HG2      LYS  23  14.684  -2.116  -3.424
    4    HD2  LYS  23           HD2      LYS  23  15.620  -1.860  -5.850
    5    HE2  LYS  23           HE2      LYS  23  15.966   0.931  -4.767
    6    HZ1  LYS  23           HZ1      LYS  23  15.104   0.858  -7.030
    7    HZ3  LYS  23           HZ2      LYS  23  16.382  -0.141  -7.505
    8    HZ2  LYS  23           HZ3      LYS  23  16.691   1.444  -7.003
    9    H    LYS  23           HN       LYS  23  15.049  -4.119  -2.835
   10    HB3  LYS  23           HB1      LYS  23  16.662  -3.285  -4.427
   11    HG3  LYS  23           HG1      LYS  23  15.751  -0.753  -3.075
   12    HD3  LYS  23           HD1      LYS  23  14.335  -0.796  -5.274
   13    HE3  LYS  23           HE1      LYS  23  17.279  -0.136  -5.266

  No H/Q in entry =          13
  In of MODEL    9
    1    HA   ILE  24           HA       ILE  24  17.126   0.202  -0.131
    2    HB   ILE  24           HB       ILE  24  14.326  -0.429   0.743
    3   HD12  ILE  24          HD11      ILE  24  13.463   2.672   0.336
    4   HD11  ILE  24          HD12      ILE  24  12.676   1.145  -0.065
    5   HD13  ILE  24          HD13      ILE  24  13.077   2.289  -1.344
    6    H    ILE  24           HN       ILE  24  15.261  -1.662  -1.026

  No H/Q in entry =           6
  In of MODEL    9
    1    HA   GLN  25           HA       GLN  25  16.519  -1.638   4.359
    2    HB2  GLN  25           HB2      GLN  25  16.158  -4.432   3.253
    3    HG2  GLN  25           HG2      GLN  25  14.146  -2.526   4.378
    4   HE21  GLN  25          HE21      GLN  25  15.258  -4.656   6.047
    5   HE22  GLN  25          HE22      GLN  25  13.939  -5.706   6.420
    6    H    GLN  25           HN       GLN  25  15.289  -2.018   2.029
    7    HB3  GLN  25           HB1      GLN  25  16.222  -3.978   4.948
    8    HG3  GLN  25           HG1      GLN  25  14.030  -3.571   2.963

  No H/Q in entry =           8
  In of MODEL    9
    1    HA   GLU  26           HA       GLU  26  20.212  -4.444   3.062
    2    HB2  GLU  26           HB2      GLU  26  19.309  -5.559   1.064
    3    HG2  GLU  26           HG2      GLU  26  21.323  -5.729  -0.294
    4    H    GLU  26           HN       GLU  26  17.717  -3.886   2.024
    5    HB3  GLU  26           HB1      GLU  26  19.587  -4.100   0.123
    6    HG3  GLU  26           HG1      GLU  26  21.990  -4.307   0.510

  No H/Q in entry =           6
  In of MODEL    9
    1    HA   LEU  27           HA       LEU  27  22.279  -0.754   1.142
    2    HB2  LEU  27           HB2      LEU  27  20.380  -0.029  -1.061
    3    HG   LEU  27           HG       LEU  27  21.136  -2.476  -1.155
    4   HD13  LEU  27          HD11      LEU  27  21.303  -2.386  -3.496
    5   HD12  LEU  27          HD12      LEU  27  22.044  -0.786  -3.464
    6   HD11  LEU  27          HD13      LEU  27  20.341  -0.976  -3.043
    7   HD23  LEU  27          HD21      LEU  27  23.763  -1.151  -1.828
    8   HD22  LEU  27          HD22      LEU  27  23.398  -2.873  -1.933
    9   HD21  LEU  27          HD23      LEU  27  23.435  -2.073  -0.361
   10    H    LEU  27           HN       LEU  27  19.738  -2.015   0.477
   11    HB3  LEU  27           HB1      LEU  27  22.081   0.370  -0.934

  No H/Q in entry =          11
  In of MODEL    9
    1    HA   LYS  28           HA       LYS  28  19.636   3.133   1.210
    2    HB2  LYS  28           HB2      LYS  28  17.101   1.887   0.199
    3    HG2  LYS  28           HG2      LYS  28  17.929   3.486  -1.777
    4    HD2  LYS  28           HD2      LYS  28  18.761   0.617  -1.377
    5    HE2  LYS  28           HE2      LYS  28  19.881   1.631  -3.288
    6    HZ2  LYS  28           HZ1      LYS  28  18.601   2.504  -5.124
    7    HZ1  LYS  28           HZ2      LYS  28  18.300   3.417  -3.732
    8    HZ3  LYS  28           HZ3      LYS  28  17.156   2.293  -4.268
    9    H    LYS  28           HN       LYS  28  18.993   0.409   0.516
   10    HB3  LYS  28           HB1      LYS  28  17.390   3.599   0.391
   11    HG3  LYS  28           HG1      LYS  28  19.488   2.938  -1.154
   12    HD3  LYS  28           HD1      LYS  28  17.199   1.162  -1.986
   13    HE3  LYS  28           HE1      LYS  28  18.663   0.469  -3.813

  No H/Q in entry =          13
  In of MODEL    9
    1    HA   ASP  29           HA       ASP  29  16.252   1.199   4.361
    2    HB2  ASP  29           HB2      ASP  29  17.745  -0.649   4.976
    3    H    ASP  29           HN       ASP  29  18.556   0.608   3.139
    4    HB3  ASP  29           HB1      ASP  29  18.782   0.482   5.832

  No H/Q in entry =           4
  In of MODEL    9
    1    HA   ASP  30           HA       ASP  30  17.851   4.627   6.977
    2    HB2  ASP  30           HB2      ASP  30  20.285   4.454   6.821
    3    H    ASP  30           HN       ASP  30  18.968   3.405   4.566
    4    HB3  ASP  30           HB1      ASP  30  20.269   5.400   5.337

  No H/Q in entry =           4
  In of MODEL    9
    1    HA   VAL  31           HA       VAL  31  17.019   8.181   4.133
    2    HB   VAL  31           HB       VAL  31  19.253   8.905   3.687
    3    H    VAL  31           HN       VAL  31  19.128   6.218   4.133

  No H/Q in entry =           3
  In of MODEL    9
    1    HA3  GLY  32           HA2      GLY  32  16.311   6.572  -0.343
    2    H    GLY  32           HN       GLY  32  18.245   6.099   1.624
    3    HA2  GLY  32           HA1      GLY  32  17.226   5.079  -0.222

  No H/Q in entry =           3
  In of MODEL    9
    1    HA   ASN  33           HA       ASN  33  14.079   2.984   2.112
    2    HB2  ASN  33           HB2      ASN  33  13.555   3.051   4.424
    3   HD21  ASN  33          HD21      ASN  33  13.488   4.060   6.447
    4   HD22  ASN  33          HD22      ASN  33  13.468   5.782   6.600
    5    H    ASN  33           HN       ASN  33  15.988   4.910   2.585
    6    HB3  ASN  33           HB1      ASN  33  15.269   3.439   4.272

  No H/Q in entry =           6
  In of MODEL    9
    1    HA   LYS  34           HA       LYS  34  10.790   6.180   2.099
    2    HB2  LYS  34           HB2      LYS  34  12.449   8.224   1.948
    3    HG2  LYS  34           HG2      LYS  34   9.979   8.298   2.503
    4    HD2  LYS  34           HD2      LYS  34   9.621   9.408  -0.245
    5    HE2  LYS  34           HE2      LYS  34   7.279   8.806   0.193
    6    HZ3  LYS  34           HZ1      LYS  34   8.492  10.390   2.394
    7    HZ2  LYS  34           HZ2      LYS  34   6.863  10.415   1.940
    8    HZ1  LYS  34           HZ3      LYS  34   8.046  10.993   0.878
    9    H    LYS  34           HN       LYS  34  13.592   6.175   1.371
   10    HB3  LYS  34           HB1      LYS  34  11.970   8.211   0.256
   11    HG3  LYS  34           HG1      LYS  34  10.676   9.749   1.784
   12    HD3  LYS  34           HD1      LYS  34   9.415   7.681   0.039
   13    HE3  LYS  34           HE1      LYS  34   7.748   8.177   1.772

  No H/Q in entry =          13
  In of MODEL    9
    1    HA   ALA  35           HA       ALA  35  11.180   5.985  -2.851
    2    HB2  ALA  35           HB1      ALA  35  13.328   3.964  -2.284
    3    HB1  ALA  35           HB2      ALA  35  13.457   5.470  -3.193
    4    HB3  ALA  35           HB3      ALA  35  12.540   4.116  -3.855
    5    H    ALA  35           HN       ALA  35  12.822   5.868  -0.735

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   ALA  36           HA       ALA  36   9.457   1.644  -2.011
    2    HB1  ALA  36           HB1      ALA  36  10.939   1.052   0.050
    3    HB2  ALA  36           HB2      ALA  36   9.383   0.239  -0.146
    4    HB3  ALA  36           HB3      ALA  36   9.544   1.586   0.988
    5    H    ALA  36           HN       ALA  36  11.194   3.319  -0.502

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   GLU  37           HA       GLU  37   6.070   3.455   0.983
    2    HB2  GLU  37           HB2      GLU  37   7.765   5.872   1.618
    3    HG2  GLU  37           HG2      GLU  37   7.027   3.541   3.374
    4    H    GLU  37           HN       GLU  37   8.736   3.413   1.014
    5    HB3  GLU  37           HB1      GLU  37   6.150   5.540   2.230
    6    HG3  GLU  37           HG1      GLU  37   8.647   3.959   2.813

  No H/Q in entry =           6
  In of MODEL    9
    1    HA   VAL  38           HA       VAL  38   6.143   6.979  -2.210
    2    HB   VAL  38           HB       VAL  38   8.441   5.767  -3.760
    3    H    VAL  38           HN       VAL  38   8.032   4.990  -1.400

  No H/Q in entry =           3
  In of MODEL    9
    1    HA   ARG  39           HA       ARG  39   5.406   3.647  -5.663
    2    HB2  ARG  39           HB2      ARG  39   7.239   2.004  -4.929
    3    HG2  ARG  39           HG2      ARG  39   5.425   1.649  -6.783
    4    HD2  ARG  39           HD2      ARG  39   4.733  -0.554  -4.852
    5    HE   ARG  39           HE       ARG  39   4.275  -0.343  -7.605
    6   HH11  ARG  39          HH11      ARG  39   2.542  -1.039  -4.662
    7   HH12  ARG  39          HH12      ARG  39   1.374  -2.053  -5.438
    8   HH21  ARG  39          HH21      ARG  39   2.739  -1.678  -8.634
    9   HH22  ARG  39          HH22      ARG  39   1.488  -2.419  -7.695
   10    H    ARG  39           HN       ARG  39   7.179   3.857  -3.583
   11    HB3  ARG  39           HB1      ARG  39   6.020   1.293  -3.885
   12    HG3  ARG  39           HG1      ARG  39   6.461   0.320  -6.263
   13    HD3  ARG  39           HD1      ARG  39   3.714   0.853  -5.142

  No H/Q in entry =          13
  In of MODEL    9
    1    HA   ASP  40           HA       ASP  40   2.168   2.088  -2.601
    2    HB2  ASP  40           HB2      ASP  40   3.445   1.564  -0.597
    3    H    ASP  40           HN       ASP  40   4.789   3.187  -2.235
    4    HB3  ASP  40           HB1      ASP  40   3.520   3.270  -0.165

  No H/Q in entry =           4
  In of MODEL    9
    1    HA   ALA  41           HA       ALA  41   1.284   6.720  -1.490
    2    HB3  ALA  41           HB1      ALA  41   2.353   8.665  -2.481
    3    HB1  ALA  41           HB2      ALA  41   3.434   7.620  -3.402
    4    HB2  ALA  41           HB3      ALA  41   3.538   7.666  -1.642
    5    H    ALA  41           HN       ALA  41   3.514   5.278  -2.351

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   VAL  42           HA       VAL  42   0.156   7.287  -6.080
    2    HB   VAL  42           HB       VAL  42   0.833   5.804  -8.048
    3    H    VAL  42           HN       VAL  42   2.370   6.068  -4.822

  No H/Q in entry =           3
  In of MODEL    9
    1    HA   SER  43           HA       SER  43  -1.395   2.714  -6.453
    2    HB2  SER  43           HB2      SER  43   0.093   1.930  -3.934
    3    HG   SER  43           HG       SER  43   0.518   0.357  -6.048
    4    H    SER  43           HN       SER  43   0.850   3.916  -5.326
    5    HB3  SER  43           HB1      SER  43  -1.055   0.896  -4.784

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   SER  44           HA       SER  44  -3.481   3.274  -2.106
    2    HB2  SER  44           HB2      SER  44  -1.671   5.604  -1.430
    3    HG   SER  44           HG       SER  44  -1.453   3.953   0.443
    4    H    SER  44           HN       SER  44  -0.967   3.755  -3.098
    5    HB3  SER  44           HB1      SER  44  -3.040   5.066  -0.455

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   THR  45           HA       THR  45  -4.673   7.685  -3.702
    2    HB   THR  45           HB       THR  45  -3.017   7.382  -6.220
    3    HG1  THR  45           HG1      THR  45  -2.098   9.419  -5.091
    4   HG22  THR  45          HG21      THR  45  -3.684   9.722  -6.631
    5   HG21  THR  45          HG22      THR  45  -4.728   9.659  -5.212
    6   HG23  THR  45          HG23      THR  45  -5.069   8.631  -6.603
    7    H    THR  45           HN       THR  45  -2.430   6.046  -4.037

  No H/Q in entry =           7
  In of MODEL    9
    1    HA   VAL  46           HA       VAL  46  -6.538   5.215  -7.279
    2    HB   VAL  46           HB       VAL  46  -4.692   2.830  -7.042
    3    H    VAL  46           HN       VAL  46  -4.077   4.962  -5.797

  No H/Q in entry =           3
  In of MODEL    9
    1    HA   GLU  47           HA       GLU  47  -7.528   1.223  -4.590
    2    HB2  GLU  47           HB2      GLU  47  -5.152   1.953  -3.002
    3    HG2  GLU  47           HG2      GLU  47  -4.996  -0.497  -2.763
    4    H    GLU  47           HN       GLU  47  -5.341   2.634  -5.179
    5    HB3  GLU  47           HB1      GLU  47  -6.494   1.230  -2.125
    6    HG3  GLU  47           HG1      GLU  47  -6.468  -0.648  -3.722

  No H/Q in entry =           6
  In of MODEL    9
    1    HA   SER  48           HA       SER  48  -9.091   4.380  -1.568
    2    HB2  SER  48           HB2      SER  48  -7.201   5.918  -1.315
    3    HG   SER  48           HG       SER  48  -8.385   7.547  -0.541
    4    H    SER  48           HN       SER  48  -7.177   4.527  -3.753
    5    HB3  SER  48           HB1      SER  48  -7.685   6.773  -2.780

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   ILE  49           HA       ILE  49 -11.521   7.073  -4.606
    2    HB   ILE  49           HB       ILE  49 -11.151   7.397  -7.103
    3   HD13  ILE  49          HD11      ILE  49  -9.619   4.687  -7.338
    4   HD12  ILE  49          HD12      ILE  49  -8.554   5.371  -8.567
    5   HD11  ILE  49          HD13      ILE  49 -10.267   5.791  -8.551
    6    H    ILE  49           HN       ILE  49  -8.836   6.248  -4.590

  No H/Q in entry =           6
  In of MODEL    9
    1    HA   LYS  50           HA       LYS  50 -12.230   3.293  -7.184
    2    HB2  LYS  50           HB2      LYS  50 -11.155   1.077  -7.179
    3    HG2  LYS  50           HG2      LYS  50  -8.808   2.012  -5.721
    4    HD2  LYS  50           HD2      LYS  50  -9.246  -0.432  -4.815
    5    HE2  LYS  50           HE2      LYS  50  -8.385   0.096  -7.660
    6    HZ2  LYS  50           HZ1      LYS  50  -8.561  -2.246  -7.122
    7    HZ1  LYS  50           HZ2      LYS  50  -7.602  -2.035  -5.746
    8    HZ3  LYS  50           HZ3      LYS  50  -6.936  -1.804  -7.284
    9    H    LYS  50           HN       LYS  50 -10.135   4.048  -5.369
   10    HB3  LYS  50           HB1      LYS  50 -10.031   2.380  -7.540
   11    HG3  LYS  50           HG1      LYS  50 -10.196   1.632  -4.712
   12    HD3  LYS  50           HD1      LYS  50 -10.256  -0.512  -6.260
   13    HE3  LYS  50           HE1      LYS  50  -7.359   0.328  -6.244

  No H/Q in entry =          13
  In of MODEL    9
    1    HA   ASP  51           HA       ASP  51 -13.838   0.678  -3.815
    2    HB2  ASP  51           HB2      ASP  51 -11.276   0.456  -2.397
    3    H    ASP  51           HN       ASP  51 -11.270   1.959  -3.951
    4    HB3  ASP  51           HB1      ASP  51 -12.712   0.095  -1.436

  No H/Q in entry =           4
  In of MODEL    9
    1    HA   LYS  52           HA       LYS  52 -14.493   3.469  -0.218
    2    HB2  LYS  52           HB2      LYS  52 -12.230   4.071   0.483
    3    HG2  LYS  52           HG2      LYS  52 -14.429   5.276   1.351
    4    HD2  LYS  52           HD2      LYS  52 -14.111   7.083  -0.424
    5    HE2  LYS  52           HE2      LYS  52 -11.672   7.350  -0.061
    6    HZ2  LYS  52           HZ1      LYS  52 -11.639   7.207   2.350
    7    HZ1  LYS  52           HZ2      LYS  52 -12.506   8.655   2.472
    8    HZ3  LYS  52           HZ3      LYS  52 -10.942   8.658   1.829
    9    H    LYS  52           HN       LYS  52 -12.282   3.343  -2.072
   10    HB3  LYS  52           HB1      LYS  52 -12.235   5.424  -0.643
   11    HG3  LYS  52           HG1      LYS  52 -12.819   5.717   1.923
   12    HD3  LYS  52           HD1      LYS  52 -14.381   7.617   1.235
   13    HE3  LYS  52           HE1      LYS  52 -12.575   8.858   0.065

  No H/Q in entry =          13
  In of MODEL    9
    1    HA   LEU  53           HA       LEU  53 -15.627   7.087  -2.963
    2    HB2  LEU  53           HB2      LEU  53 -13.248   6.659  -4.639
    3    HG   LEU  53           HG       LEU  53 -13.205   9.075  -4.831
    4   HD12  LEU  53          HD11      LEU  53 -14.970  10.446  -3.796
    5   HD11  LEU  53          HD12      LEU  53 -15.897   8.977  -3.480
    6   HD13  LEU  53          HD13      LEU  53 -15.570   9.472  -5.140
    7   HD22  LEU  53          HD21      LEU  53 -12.287   8.164  -2.791
    8   HD21  LEU  53          HD22      LEU  53 -13.884   8.145  -2.044
    9   HD23  LEU  53          HD23      LEU  53 -13.112   9.682  -2.435
   10    H    LEU  53           HN       LEU  53 -13.399   5.244  -3.061
   11    HB3  LEU  53           HB1      LEU  53 -14.655   7.211  -5.516

  No H/Q in entry =          11
  In of MODEL    9
    1    HA   SER  54           HA       SER  54 -16.314   3.361  -6.074
    2    HB2  SER  54           HB2      SER  54 -16.847   1.207  -5.231
    3    HG   SER  54           HG       SER  54 -17.555   0.846  -3.247
    4    H    SER  54           HN       SER  54 -15.108   3.950  -3.794
    5    HB3  SER  54           HB1      SER  54 -15.462   1.747  -4.282

  No H/Q in entry =           5
  In of MODEL    9
    1    HA3  GLY  55           HA2      GLY  55 -20.022   5.638  -3.336
    2    H    GLY  55           HN       GLY  55 -17.983   4.349  -3.133
    3    HA2  GLY  55           HA1      GLY  55 -20.446   4.650  -4.726

  No H/Q in entry =           3
  In of MODEL    9
    1    HA3  GLY  56           HA2      GLY  56 -21.705   2.117  -1.167
    2    H    GLY  56           HN       GLY  56 -19.217   2.465  -2.707
    3    HA2  GLY  56           HA1      GLY  56 -21.086   0.799  -2.151

  No H/Q in entry =           3
  In of MODEL    9
    1    HA   SER  57           HA       SER  57 -17.059  -0.383  -0.232
    2    HB2  SER  57           HB2      SER  57 -16.629   1.885   0.421
    3    HG   SER  57           HG       SER  57 -15.753   1.422   2.298
    4    H    SER  57           HN       SER  57 -18.566   0.502  -1.685
    5    HB3  SER  57           HB1      SER  57 -18.074   1.930   1.430

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   SER  58           HA       SER  58 -19.138  -2.843   2.691
    2    HB2  SER  58           HB2      SER  58 -21.179  -2.371   1.432
    3    HG   SER  58           HG       SER  58 -22.193  -4.452   1.724
    4    H    SER  58           HN       SER  58 -18.143  -2.376  -0.004
    5    HB3  SER  58           HB1      SER  58 -20.737  -3.582   0.228

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   SER  59           HA       SER  59 -17.283  -6.716   2.384
    2    HB2  SER  59           HB2      SER  59 -16.708  -6.075   0.077
    3    HG   SER  59           HG       SER  59 -14.564  -7.317   1.462
    4    H    SER  59           HN       SER  59 -17.092  -3.933   2.839
    5    HB3  SER  59           HB1      SER  59 -15.259  -5.264   0.668

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   ARG  60           HA       ARG  60 -13.494  -5.962   4.740
    2    HB2  ARG  60           HB2      ARG  60 -12.137  -6.467   2.699
    3    HG2  ARG  60           HG2      ARG  60  -9.930  -5.917   3.693
    4    HD2  ARG  60           HD2      ARG  60 -11.308  -7.908   4.401
    5    HE   ARG  60           HE       ARG  60 -12.502  -6.083   6.183
    6   HH11  ARG  60          HH11      ARG  60 -11.235  -9.326   6.070
    7   HH12  ARG  60          HH12      ARG  60 -12.275  -9.915   7.323
    8   HH21  ARG  60          HH21      ARG  60 -13.877  -6.848   7.832
    9   HH22  ARG  60          HH22      ARG  60 -13.779  -8.508   8.323
   10    H    ARG  60           HN       ARG  60 -14.277  -4.897   2.139
   11    HB3  ARG  60           HB1      ARG  60 -11.712  -4.769   2.643
   12    HG3  ARG  60           HG1      ARG  60 -10.774  -4.992   4.931
   13    HD3  ARG  60           HD1      ARG  60 -10.110  -7.347   5.565

  No H/Q in entry =          13
  In of MODEL    9
    1    HA   ALA  61           HA       ALA  61 -13.589  -1.222   4.731
    2    HB3  ALA  61           HB1      ALA  61 -15.739  -1.084   3.593
    3    HB2  ALA  61           HB2      ALA  61 -15.726  -0.090   5.049
    4    HB1  ALA  61           HB3      ALA  61 -16.557  -1.646   5.050
    5    H    ALA  61           HN       ALA  61 -15.154  -3.534   4.184

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   SER  62           HA       SER  62 -14.852  -2.891   9.098
    2    HB2  SER  62           HB2      SER  62 -14.147  -5.197   8.681
    3    HG   SER  62           HG       SER  62 -13.589  -5.509  10.706
    4    H    SER  62           HN       SER  62 -13.797  -3.715   6.661
    5    HB3  SER  62           HB1      SER  62 -12.463  -4.681   8.594

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   SER  63           HA       SER  63 -10.897  -0.274   9.129
    2    HB2  SER  63           HB2      SER  63  -9.659  -0.720  11.220
    3    HG   SER  63           HG       SER  63 -10.514  -3.352  10.696
    4    H    SER  63           HN       SER  63 -11.374  -2.928   8.296
    5    HB3  SER  63           HB1      SER  63 -11.360  -1.158  11.367

  No H/Q in entry =           5
  In of MODEL    9
    1    HA   TYR  64           HA       TYR  64  -6.241  -0.254   8.966
    2    HB2  TYR  64           HB2      TYR  64  -6.496  -2.604   9.878
    3    HD1  TYR  64           HD1      TYR  64  -4.232  -1.678  10.393
    4    HD2  TYR  64           HD2      TYR  64  -5.152  -3.422   6.623
    5    HE1  TYR  64           HE1      TYR  64  -1.830  -1.913   9.922
    6    HE2  TYR  64           HE2      TYR  64  -2.754  -3.663   6.142
    7    HH   TYR  64           HH       TYR  64  -0.353  -3.267   8.515
    8    H    TYR  64           HN       TYR  64  -8.358  -0.165   9.796
    9    HB3  TYR  64           HB1      TYR  64  -6.866  -3.110   8.231

  No H/Q in entry =           9
  In of MODEL    9
    1    HA   THR  65           HA       THR  65  -6.475  -0.161   4.626
    2    HB   THR  65           HB       THR  65  -7.914   1.665   3.689
    3    HG1  THR  65           HG1      THR  65  -7.878   3.075   5.493
    4   HG22  THR  65          HG21      THR  65 -10.052   0.593   4.521
    5   HG21  THR  65          HG22      THR  65  -9.031  -0.391   5.569
    6   HG23  THR  65          HG23      THR  65  -8.852  -0.488   3.817
    7    H    THR  65           HN       THR  65  -6.532   1.161   7.228

  No H/Q in entry =           7
  In of MODEL    9
    1    HA   LEU  66           HA       LEU  66  -3.711   2.832   3.162
    2    HB2  LEU  66           HB2      LEU  66  -5.612   4.646   1.791
    3    HG   LEU  66           HG       LEU  66  -6.694   2.466   1.370
    4   HD11  LEU  66          HD11      LEU  66  -6.549   4.329  -0.324
    5   HD13  LEU  66          HD12      LEU  66  -6.880   2.722  -0.966
    6   HD12  LEU  66          HD13      LEU  66  -5.260   3.406  -1.096
    7   HD23  LEU  66          HD21      LEU  66  -5.271   0.959  -0.217
    8   HD22  LEU  66          HD22      LEU  66  -5.113   0.811   1.533
    9   HD21  LEU  66          HD23      LEU  66  -3.910   1.716   0.611
   10    H    LEU  66           HN       LEU  66  -6.363   2.004   2.991
   11    HB3  LEU  66           HB1      LEU  66  -4.090   3.985   1.228

  No H/Q in entry =          11
  In of MODEL    9
    1    HA   GLU  67           HA       GLU  67  -5.139   6.539   5.462
    2    HB2  GLU  67           HB2      GLU  67  -8.122   6.043   5.436
    3    HG2  GLU  67           HG2      GLU  67  -6.477   7.853   3.683
    4    H    GLU  67           HN       GLU  67  -6.632   4.206   4.481
    5    HB3  GLU  67           HB1      GLU  67  -7.329   7.527   5.943
    6    HG3  GLU  67           HG1      GLU  67  -7.256   6.357   3.171

  No H/Q in entry =           6
  In of MODEL   10
    1    H1   MET   1           HT2      MET   1 -13.121   3.477   3.592
    2    H2   MET   1           HT1      MET   1 -11.492   3.301   4.010
    3    H3   MET   1           HT3      MET   1 -11.932   4.306   2.722
    4    HB3  MET   1           HB1      MET   1 -10.464   1.204   1.319
    5    HG3  MET   1           HG1      MET   1 -11.243   3.193  -0.071
    6    HA   MET   1           HA       MET   1 -12.735   2.422   1.471
    7    HB2  MET   1           HB2      MET   1  -9.918   2.387   2.495
    8    HG2  MET   1           HG2      MET   1  -9.510   2.878   0.031
    9    HE3  MET   1           HE1      MET   1  -8.575   4.075   2.835
   10    HE2  MET   1           HE2      MET   1  -8.149   5.689   2.268
   11    HE1  MET   1           HE3      MET   1  -7.804   4.282   1.263

  No H/Q in entry =          11
  In of MODEL   10
    1    HA   ASP   2           HA       ASP   2 -12.377  -1.462   3.798
    2    HB2  ASP   2           HB2      ASP   2 -14.376  -1.460   1.546
    3    H    ASP   2           HN       ASP   2 -11.985  -0.042   1.299
    4    HB3  ASP   2           HB1      ASP   2 -14.325  -2.726   2.772

  No H/Q in entry =           4
  In of MODEL   10
    1    HA   GLN   3           HA       GLN   3 -11.670  -5.476   1.756
    2    HB2  GLN   3           HB2      GLN   3 -13.919  -5.725   0.871
    3    HG2  GLN   3           HG2      GLN   3 -11.859  -6.571  -1.141
    4   HE21  GLN   3          HE21      GLN   3 -12.467  -8.265  -2.486
    5   HE22  GLN   3          HE22      GLN   3 -14.124  -8.659  -2.779
    6    H    GLN   3           HN       GLN   3 -13.469  -3.676   1.990
    7    HB3  GLN   3           HB1      GLN   3 -13.458  -4.831  -0.571
    8    HG3  GLN   3           HG1      GLN   3 -12.307  -7.461   0.312

  No H/Q in entry =           8
  In of MODEL   10
    1    HA   GLU   4           HA       GLU   4  -9.566  -3.986  -2.144
    2    HB2  GLU   4           HB2      GLU   4  -8.904  -1.891  -3.005
    3    HG2  GLU   4           HG2      GLU   4  -8.117  -0.640  -1.179
    4    H    GLU   4           HN       GLU   4 -11.341  -2.659  -0.410
    5    HB3  GLU   4           HB1      GLU   4 -10.581  -1.673  -2.546
    6    HG3  GLU   4           HG1      GLU   4  -9.465   0.276  -1.855

  No H/Q in entry =           6
  In of MODEL   10
    1    HA   THR   5           HA       THR   5  -6.393  -2.383   1.156
    2    HB   THR   5           HB       THR   5  -8.366  -3.299   3.257
    3    HG1  THR   5           HG1      THR   5  -8.858  -1.239   3.083
    4   HG21  THR   5          HG21      THR   5  -6.092  -4.006   3.837
    5   HG23  THR   5          HG22      THR   5  -6.657  -2.723   4.906
    6   HG22  THR   5          HG23      THR   5  -5.520  -2.353   3.610
    7    H    THR   5           HN       THR   5  -9.127  -2.492   0.933

  No H/Q in entry =           7
  In of MODEL   10
    1    HA   ARG   6           HA       ARG   6  -6.590  -7.010   2.752
    2    HB2  ARG   6           HB2      ARG   6  -8.976  -7.590   1.001
    3    HG2  ARG   6           HG2      ARG   6  -8.932  -7.518   4.005
    4    HD2  ARG   6           HD2      ARG   6 -11.394  -7.605   3.699
    5    HE   ARG   6           HE       ARG   6  -9.673  -9.814   3.131
    6   HH11  ARG   6          HH11      ARG   6 -13.007  -8.807   3.283
    7   HH12  ARG   6          HH12      ARG   6 -13.611 -10.406   3.560
    8   HH21  ARG   6          HH21      ARG   6 -10.460 -11.922   3.498
    9   HH22  ARG   6          HH22      ARG   6 -12.163 -12.177   3.683
   10    H    ARG   6           HN       ARG   6  -8.377  -5.148   2.231
   11    HB3  ARG   6           HB1      ARG   6  -8.165  -8.710   2.087
   12    HG3  ARG   6           HG1      ARG   6  -9.564  -6.210   3.001
   13    HD3  ARG   6           HD1      ARG   6 -11.135  -7.825   1.969

  No H/Q in entry =          13
  In of MODEL   10
    1    HA   ASP   7           HA       ASP   7  -5.811  -8.594  -1.526
    2    HB2  ASP   7           HB2      ASP   7  -7.990  -8.652  -2.528
    3    H    ASP   7           HN       ASP   7  -7.889  -6.893  -0.639
    4    HB3  ASP   7           HB1      ASP   7  -7.827  -6.972  -3.004

  No H/Q in entry =           4
  In of MODEL   10
    1    HA   GLN   8           HA       GLN   8  -4.046  -4.895  -3.647
    2    HB2  GLN   8           HB2      GLN   8  -5.917  -2.786  -2.569
    3    HG2  GLN   8           HG2      GLN   8  -6.896  -4.319  -4.264
    4   HE21  GLN   8          HE21      GLN   8  -5.484  -5.814  -5.211
    5   HE22  GLN   8          HE22      GLN   8  -4.694  -5.489  -6.712
    6    H    GLN   8           HN       GLN   8  -6.408  -5.131  -2.007
    7    HB3  GLN   8           HB1      GLN   8  -4.593  -2.475  -3.682
    8    HG3  GLN   8           HG1      GLN   8  -6.819  -2.628  -4.760

  No H/Q in entry =           8
  In of MODEL   10
    1    HA   MET   9           HA       MET   9  -2.569  -2.095  -0.068
    2    HB2  MET   9           HB2      MET   9  -4.611  -1.639   1.231
    3    HG2  MET   9           HG2      MET   9  -3.630  -1.350   3.394
    4    HE1  MET   9           HE1      MET   9  -0.270  -1.265   3.466
    5    HE3  MET   9           HE2      MET   9  -1.258   0.006   4.186
    6    HE2  MET   9           HE3      MET   9  -0.007   0.419   3.014
    7    H    MET   9           HN       MET   9  -5.010  -3.196  -0.645
    8    HB3  MET   9           HB1      MET   9  -4.452  -3.209   2.007
    9    HG3  MET   9           HG1      MET   9  -2.394  -2.556   3.044

  No H/Q in entry =           9
  In of MODEL   10
    1    HA   LYS  10           HA       LYS  10  -1.133  -5.902   2.258
    2    HB2  LYS  10           HB2      LYS  10  -3.160  -7.856   1.180
    3    HG2  LYS  10           HG2      LYS  10  -2.795  -6.809   3.982
    4    HD2  LYS  10           HD2      LYS  10  -4.911  -8.033   4.401
    5    HE2  LYS  10           HE2      LYS  10  -2.624  -9.737   3.420
    6    HZ3  LYS  10           HZ1      LYS  10  -3.479 -11.367   4.993
    7    HZ2  LYS  10           HZ2      LYS  10  -4.611 -11.048   3.777
    8    HZ1  LYS  10           HZ3      LYS  10  -4.816 -10.381   5.318
    9    H    LYS  10           HN       LYS  10  -3.589  -5.417   0.896
   10    HB3  LYS  10           HB1      LYS  10  -1.846  -8.259   2.276
   11    HG3  LYS  10           HG1      LYS  10  -4.098  -6.353   2.883
   12    HD3  LYS  10           HD1      LYS  10  -4.783  -8.738   2.788
   13    HE3  LYS  10           HE1      LYS  10  -2.798  -9.061   5.039

  No H/Q in entry =          13
  In of MODEL   10
    1    HA   ASN  11           HA       ASN  11   0.126  -8.158  -1.631
    2    HB2  ASN  11           HB2      ASN  11  -2.066  -8.727  -2.652
    3   HD21  ASN  11          HD21      ASN  11  -2.095  -8.144  -5.507
    4   HD22  ASN  11          HD22      ASN  11  -0.723  -8.953  -6.175
    5    H    ASN  11           HN       ASN  11  -2.283  -6.712  -1.006
    6    HB3  ASN  11           HB1      ASN  11  -2.054  -7.178  -3.490

  No H/Q in entry =           6
  In of MODEL   10
    1    HA   ALA  12           HA       ALA  12   0.854  -4.435  -4.628
    2    HB3  ALA  12           HB1      ALA  12  -1.293  -3.246  -4.601
    3    HB2  ALA  12           HB2      ALA  12   0.065  -2.134  -4.430
    4    HB1  ALA  12           HB3      ALA  12  -0.899  -2.573  -3.019
    5    H    ALA  12           HN       ALA  12  -1.277  -5.212  -3.137

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   ALA  13           HA       ALA  13   2.703  -2.092  -0.858
    2    HB3  ALA  13           HB1      ALA  13   1.303  -3.825   1.178
    3    HB2  ALA  13           HB2      ALA  13   0.904  -2.144   0.817
    4    HB1  ALA  13           HB3      ALA  13   2.471  -2.549   1.519
    5    H    ALA  13           HN       ALA  13   0.315  -3.453  -1.244

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   ALA  14           HA       ALA  14   4.419  -6.477   0.511
    2    HB1  ALA  14           HB1      ALA  14   2.616  -7.857  -1.462
    3    HB3  ALA  14           HB2      ALA  14   2.379  -7.835   0.285
    4    HB2  ALA  14           HB3      ALA  14   3.803  -8.615  -0.401
    5    H    ALA  14           HN       ALA  14   2.020  -5.516  -0.145

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   GLU  15           HA       GLU  15   5.858  -6.881  -4.014
    2    HB2  GLU  15           HB2      GLU  15   3.942  -4.941  -5.297
    3    HG2  GLU  15           HG2      GLU  15   3.636  -7.909  -5.005
    4    H    GLU  15           HN       GLU  15   3.426  -5.995  -2.957
    5    HB3  GLU  15           HB1      GLU  15   5.002  -6.099  -6.090
    6    HG3  GLU  15           HG1      GLU  15   2.512  -6.660  -4.514

  No H/Q in entry =           6
  In of MODEL   10
    1    HA   ALA  16           HA       ALA  16   6.991  -2.365  -3.993
    2    HB2  ALA  16           HB1      ALA  16   6.210  -0.458  -2.798
    3    HB1  ALA  16           HB2      ALA  16   5.387  -1.464  -1.606
    4    HB3  ALA  16           HB3      ALA  16   4.783  -1.385  -3.262
    5    H    ALA  16           HN       ALA  16   5.094  -3.951  -2.427

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   LYS  17           HA       LYS  17   8.816  -2.910   0.282
    2    HB2  LYS  17           HB2      LYS  17   6.883  -5.107   0.996
    3    HG2  LYS  17           HG2      LYS  17   6.167  -2.786   1.412
    4    HD2  LYS  17           HD2      LYS  17   8.595  -2.742   3.204
    5    HE2  LYS  17           HE2      LYS  17   6.309  -0.789   2.972
    6    HZ1  LYS  17           HZ1      LYS  17   8.838  -0.596   4.515
    7    HZ3  LYS  17           HZ2      LYS  17   7.527   0.461   4.665
    8    HZ2  LYS  17           HZ3      LYS  17   8.386   0.383   3.211
    9    H    LYS  17           HN       LYS  17   6.488  -3.975  -1.015
   10    HB3  LYS  17           HB1      LYS  17   8.331  -4.810   1.948
   11    HG3  LYS  17           HG1      LYS  17   6.333  -3.737   2.890
   12    HD3  LYS  17           HD1      LYS  17   8.285  -1.707   1.808
   13    HE3  LYS  17           HE1      LYS  17   6.709  -1.772   4.380

  No H/Q in entry =          13
  In of MODEL   10
    1    HA   ASP  18           HA       ASP  18  10.458  -7.098  -0.954
    2    HB2  ASP  18           HB2      ASP  18   8.411  -8.393  -1.404
    3    H    ASP  18           HN       ASP  18   7.978  -5.746  -1.548
    4    HB3  ASP  18           HB1      ASP  18   8.352  -7.731  -3.035

  No H/Q in entry =           4
  In of MODEL   10
    1    HA   ASN  19           HA       ASN  19  11.405  -5.585  -5.193
    2    HB2  ASN  19           HB2      ASN  19   9.092  -3.659  -5.396
    3   HD21  ASN  19          HD21      ASN  19   8.975  -4.390  -8.214
    4   HD22  ASN  19          HD22      ASN  19   8.290  -5.975  -8.268
    5    H    ASN  19           HN       ASN  19   9.315  -4.865  -3.234
    6    HB3  ASN  19           HB1      ASN  19  10.372  -3.741  -6.603

  No H/Q in entry =           6
  In of MODEL   10
    1    HA   VAL  20           HA       VAL  20  12.750  -1.314  -4.270
    2    HB   VAL  20           HB       VAL  20  10.471   0.055  -2.900
    3    H    VAL  20           HN       VAL  20  10.166  -2.528  -3.893

  No H/Q in entry =           3
  In of MODEL   10
    1    HA   HIS  21           HA       HIS  21  12.632  -1.212   0.283
    2    HB2  HIS  21           HB2      HIS  21  10.093  -1.957   0.634
    3    HD1  HIS  21           HD1      HIS  21  10.886  -3.207   3.735
    4    HD2  HIS  21           HD2      HIS  21  11.704   0.439   1.917
    5    HE1  HIS  21           HE1      HIS  21  11.322  -1.599   5.619
    6    HE2  HIS  21           HE2      HIS  21  11.894   0.581   4.493
    7    H    HIS  21           HN       HIS  21  10.902  -2.630  -1.557
    8    HB3  HIS  21           HB1      HIS  21  10.888  -3.392   1.275

  No H/Q in entry =           8
  In of MODEL   10
    1    HA   ASP  22           HA       ASP  22  14.011  -5.747   0.592
    2    HB2  ASP  22           HB2      ASP  22  12.840  -6.911  -1.244
    3    H    ASP  22           HN       ASP  22  12.322  -4.449  -1.209
    4    HB3  ASP  22           HB1      ASP  22  13.923  -6.147  -2.407

  No H/Q in entry =           4
  In of MODEL   10
    1    HA   LYS  23           HA       LYS  23  17.703  -4.199  -1.941
    2    HB2  LYS  23           HB2      LYS  23  17.745  -2.132  -3.489
    3    HG2  LYS  23           HG2      LYS  23  15.458  -2.499  -4.902
    4    HD2  LYS  23           HD2      LYS  23  14.710  -0.330  -3.681
    5    HE2  LYS  23           HE2      LYS  23  16.209   0.979  -4.959
    6    HZ2  LYS  23           HZ1      LYS  23  16.261  -0.168  -7.076
    7    HZ1  LYS  23           HZ2      LYS  23  14.781  -0.431  -6.304
    8    HZ3  LYS  23           HZ3      LYS  23  15.955  -1.649  -6.318
    9    H    LYS  23           HN       LYS  23  15.123  -4.287  -2.644
   10    HB3  LYS  23           HB1      LYS  23  17.197  -3.670  -4.141
   11    HG3  LYS  23           HG1      LYS  23  14.862  -2.593  -3.246
   12    HD3  LYS  23           HD1      LYS  23  16.284  -0.445  -2.893
   13    HE3  LYS  23           HE1      LYS  23  17.428  -0.296  -4.965

  No H/Q in entry =          13
  In of MODEL   10
    1    HA   ILE  24           HA       ILE  24  17.106   0.184  -0.125
    2    HB   ILE  24           HB       ILE  24  14.266  -0.376   0.693
    3   HD12  ILE  24          HD11      ILE  24  13.349   2.665   0.046
    4   HD11  ILE  24          HD12      ILE  24  12.657   1.068  -0.239
    5   HD13  ILE  24          HD13      ILE  24  13.044   2.111  -1.602
    6    H    ILE  24           HN       ILE  24  15.267  -1.696  -1.009

  No H/Q in entry =           6
  In of MODEL   10
    1    HA   GLN  25           HA       GLN  25  16.296  -1.443   4.432
    2    HB2  GLN  25           HB2      GLN  25  15.972  -4.276   3.421
    3    HG2  GLN  25           HG2      GLN  25  13.926  -2.308   4.315
    4   HE21  GLN  25          HE21      GLN  25  11.910  -4.349   3.734
    5   HE22  GLN  25          HE22      GLN  25  11.776  -5.305   5.166
    6    H    GLN  25           HN       GLN  25  15.164  -1.901   2.067
    7    HB3  GLN  25           HB1      GLN  25  15.969  -3.761   5.099
    8    HG3  GLN  25           HG1      GLN  25  13.852  -3.512   3.028

  No H/Q in entry =           8
  In of MODEL   10
    1    HA   GLU  26           HA       GLU  26  20.024  -4.300   3.403
    2    HB2  GLU  26           HB2      GLU  26  19.202  -5.496   1.415
    3    HG2  GLU  26           HG2      GLU  26  21.920  -4.283   0.970
    4    H    GLU  26           HN       GLU  26  17.584  -3.759   2.212
    5    HB3  GLU  26           HB1      GLU  26  19.533  -4.079   0.427
    6    HG3  GLU  26           HG1      GLU  26  21.566  -5.736   1.903

  No H/Q in entry =           6
  In of MODEL   10
    1    HA   LEU  27           HA       LEU  27  22.189  -0.698   1.429
    2    HB2  LEU  27           HB2      LEU  27  20.409  -0.059  -0.896
    3    HG   LEU  27           HG       LEU  27  21.133  -2.522  -0.842
    4   HD12  LEU  27          HD11      LEU  27  22.145  -0.931  -3.181
    5   HD11  LEU  27          HD12      LEU  27  20.428  -1.132  -2.831
    6   HD13  LEU  27          HD13      LEU  27  21.429  -2.544  -3.180
    7   HD23  LEU  27          HD21      LEU  27  23.437  -2.940  -1.566
    8   HD22  LEU  27          HD22      LEU  27  23.383  -2.181   0.025
    9   HD21  LEU  27          HD23      LEU  27  23.799  -1.223  -1.396
   10    H    LEU  27           HN       LEU  27  19.685  -1.989   0.693
   11    HB3  LEU  27           HB1      LEU  27  22.108   0.320  -0.705

  No H/Q in entry =          11
  In of MODEL   10
    1    HA   LYS  28           HA       LYS  28  19.551   3.187   1.193
    2    HB2  LYS  28           HB2      LYS  28  17.079   1.872   0.142
    3    HG2  LYS  28           HG2      LYS  28  17.897   3.420  -1.846
    4    HD2  LYS  28           HD2      LYS  28  18.887   0.628  -1.293
    5    HE2  LYS  28           HE2      LYS  28  18.907   0.387  -3.734
    6    HZ2  LYS  28           HZ1      LYS  28  20.862   1.725  -4.184
    7    HZ1  LYS  28           HZ2      LYS  28  20.967   1.029  -2.646
    8    HZ3  LYS  28           HZ3      LYS  28  20.571   2.665  -2.807
    9    H    LYS  28           HN       LYS  28  18.941   0.446   0.583
   10    HB3  LYS  28           HB1      LYS  28  17.305   3.593   0.307
   11    HG3  LYS  28           HG1      LYS  28  19.466   3.006  -1.150
   12    HD3  LYS  28           HD1      LYS  28  17.330   1.055  -2.005
   13    HE3  LYS  28           HE1      LYS  28  18.493   2.093  -3.901

  No H/Q in entry =          13
  In of MODEL   10
    1    HA   ASP  29           HA       ASP  29  16.022   1.436   4.300
    2    HB2  ASP  29           HB2      ASP  29  16.769   0.485   6.379
    3    H    ASP  29           HN       ASP  29  18.333   0.748   3.171
    4    HB3  ASP  29           HB1      ASP  29  17.490  -0.399   5.042

  No H/Q in entry =           4
  In of MODEL   10
    1    HA   ASP  30           HA       ASP  30  17.559   4.979   6.805
    2    HB2  ASP  30           HB2      ASP  30  20.031   5.632   5.192
    3    H    ASP  30           HN       ASP  30  18.727   3.646   4.474
    4    HB3  ASP  30           HB1      ASP  30  19.496   6.522   6.613

  No H/Q in entry =           4
  In of MODEL   10
    1    HA   VAL  31           HA       VAL  31  16.819   8.377   3.744
    2    HB   VAL  31           HB       VAL  31  18.152   9.062   1.625
    3    H    VAL  31           HN       VAL  31  18.903   6.382   3.901

  No H/Q in entry =           3
  In of MODEL   10
    1    HA3  GLY  32           HA2      GLY  32  16.167   6.489  -0.628
    2    H    GLY  32           HN       GLY  32  18.053   6.064   1.407
    3    HA2  GLY  32           HA1      GLY  32  17.046   4.987  -0.406

  No H/Q in entry =           3
  In of MODEL   10
    1    HA   ASN  33           HA       ASN  33  13.862   3.099   2.073
    2    HB2  ASN  33           HB2      ASN  33  13.221   3.464   4.333
    3   HD21  ASN  33          HD21      ASN  33  12.932   4.722   6.152
    4   HD22  ASN  33          HD22      ASN  33  12.930   6.449   6.096
    5    H    ASN  33           HN       ASN  33  15.732   5.073   2.402
    6    HB3  ASN  33           HB1      ASN  33  14.936   3.858   4.213

  No H/Q in entry =           6
  In of MODEL   10
    1    HA   LYS  34           HA       LYS  34  10.514   6.211   1.544
    2    HB2  LYS  34           HB2      LYS  34  11.508   8.389   1.742
    3    HG2  LYS  34           HG2      LYS  34  10.282   9.679   0.038
    4    HD2  LYS  34           HD2      LYS  34   9.031   7.482   1.569
    5    HE2  LYS  34           HE2      LYS  34   7.798   7.387  -0.556
    6    HZ3  LYS  34           HZ1      LYS  34   6.439   9.290  -1.184
    7    HZ2  LYS  34           HZ2      LYS  34   8.085   9.667  -1.282
    8    HZ1  LYS  34           HZ3      LYS  34   7.166  10.232   0.021
    9    H    LYS  34           HN       LYS  34  13.374   6.306   1.093
   10    HB3  LYS  34           HB1      LYS  34  12.221   8.254   0.138
   11    HG3  LYS  34           HG1      LYS  34   9.971   8.179  -0.831
   12    HD3  LYS  34           HD1      LYS  34   8.743   9.215   1.647
   13    HE3  LYS  34           HE1      LYS  34   6.804   7.954   0.783

  No H/Q in entry =          13
  In of MODEL   10
    1    HA   ALA  35           HA       ALA  35  11.226   5.719  -3.252
    2    HB1  ALA  35           HB1      ALA  35  13.524   5.216  -3.475
    3    HB3  ALA  35           HB2      ALA  35  12.653   3.823  -4.113
    4    HB2  ALA  35           HB3      ALA  35  13.374   3.753  -2.504
    5    H    ALA  35           HN       ALA  35  12.776   5.596  -1.006

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   ALA  36           HA       ALA  36   9.381   1.503  -2.306
    2    HB2  ALA  36           HB1      ALA  36   9.373   0.070  -0.286
    3    HB3  ALA  36           HB2      ALA  36  10.353   1.282   0.551
    4    HB1  ALA  36           HB3      ALA  36  11.009   0.429  -0.845
    5    H    ALA  36           HN       ALA  36  11.195   3.170  -0.782

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   GLU  37           HA       GLU  37   6.559   3.557   0.790
    2    HB2  GLU  37           HB2      GLU  37   8.482   5.813   1.323
    3    HG2  GLU  37           HG2      GLU  37   8.970   3.756   2.540
    4    H    GLU  37           HN       GLU  37   9.241   4.128  -0.184
    5    HB3  GLU  37           HB1      GLU  37   6.837   5.795   1.941
    6    HG3  GLU  37           HG1      GLU  37   8.447   5.052   3.614

  No H/Q in entry =           6
  In of MODEL   10
    1    HA   VAL  38           HA       VAL  38   6.206   7.111  -2.339
    2    HB   VAL  38           HB       VAL  38   8.437   5.940  -4.023
    3    H    VAL  38           HN       VAL  38   8.219   5.207  -1.694

  No H/Q in entry =           3
  In of MODEL   10
    1    HA   ARG  39           HA       ARG  39   5.132   3.587  -5.463
    2    HB2  ARG  39           HB2      ARG  39   7.244   2.158  -5.054
    3    HG2  ARG  39           HG2      ARG  39   5.452   1.496  -6.671
    4    HD2  ARG  39           HD2      ARG  39   4.402   0.205  -4.201
    5    HE   ARG  39           HE       ARG  39   4.908  -1.500  -6.195
    6   HH11  ARG  39          HH11      ARG  39   1.935   0.017  -5.190
    7   HH12  ARG  39          HH12      ARG  39   0.936  -1.293  -5.726
    8   HH21  ARG  39          HH21      ARG  39   3.600  -3.228  -6.901
    9   HH22  ARG  39          HH22      ARG  39   1.882  -3.138  -6.697
   10    H    ARG  39           HN       ARG  39   7.172   3.936  -3.564
   11    HB3  ARG  39           HB1      ARG  39   6.317   1.365  -3.793
   12    HG3  ARG  39           HG1      ARG  39   6.370   0.161  -5.973
   13    HD3  ARG  39           HD1      ARG  39   3.538   0.965  -5.537

  No H/Q in entry =          13
  In of MODEL   10
    1    HA   ASP  40           HA       ASP  40   2.847   1.896  -1.677
    2    HB2  ASP  40           HB2      ASP  40   4.611   1.873   0.020
    3    H    ASP  40           HN       ASP  40   5.251   3.433  -2.037
    4    HB3  ASP  40           HB1      ASP  40   4.451   3.617   0.243

  No H/Q in entry =           4
  In of MODEL   10
    1    HA   ALA  41           HA       ALA  41   1.338   6.376  -1.098
    2    HB3  ALA  41           HB1      ALA  41   2.142   8.429  -2.063
    3    HB1  ALA  41           HB2      ALA  41   3.285   7.547  -3.077
    4    HB2  ALA  41           HB3      ALA  41   3.494   7.570  -1.325
    5    H    ALA  41           HN       ALA  41   3.701   5.190  -2.189

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   VAL  42           HA       VAL  42   0.280   6.898  -5.798
    2    HB   VAL  42           HB       VAL  42   0.978   5.190  -7.596
    3    H    VAL  42           HN       VAL  42   2.499   5.981  -4.447

  No H/Q in entry =           3
  In of MODEL   10
    1    HA   SER  43           HA       SER  43  -1.310   2.329  -5.764
    2    HB2  SER  43           HB2      SER  43   0.531   1.098  -4.708
    3    HG   SER  43           HG       SER  43  -2.040   0.735  -3.594
    4    H    SER  43           HN       SER  43   0.927   3.597  -4.700
    5    HB3  SER  43           HB1      SER  43   0.094   1.764  -3.135

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   SER  44           HA       SER  44  -3.439   3.300  -1.485
    2    HB2  SER  44           HB2      SER  44  -1.605   4.161  -0.133
    3    HG   SER  44           HG       SER  44  -2.795   6.111   0.706
    4    H    SER  44           HN       SER  44  -0.920   3.584  -2.472
    5    HB3  SER  44           HB1      SER  44  -1.595   5.662  -1.059

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   THR  45           HA       THR  45  -4.556   7.550  -3.529
    2    HB   THR  45           HB       THR  45  -2.863   7.009  -5.977
    3    HG1  THR  45           HG1      THR  45  -1.761   7.653  -3.924
    4   HG22  THR  45          HG21      THR  45  -4.447   9.449  -5.162
    5   HG21  THR  45          HG22      THR  45  -4.914   8.296  -6.411
    6   HG23  THR  45          HG23      THR  45  -3.467   9.284  -6.619
    7    H    THR  45           HN       THR  45  -2.324   5.879  -3.638

  No H/Q in entry =           7
  In of MODEL   10
    1    HA   VAL  46           HA       VAL  46  -6.377   4.810  -6.929
    2    HB   VAL  46           HB       VAL  46  -4.472   2.498  -6.492
    3    H    VAL  46           HN       VAL  46  -3.953   4.643  -5.374

  No H/Q in entry =           3
  In of MODEL   10
    1    HA   GLU  47           HA       GLU  47  -7.424   1.002  -3.983
    2    HB2  GLU  47           HB2      GLU  47  -5.372   2.086  -2.074
    3    HG2  GLU  47           HG2      GLU  47  -5.737  -0.674  -3.204
    4    H    GLU  47           HN       GLU  47  -5.240   2.405  -4.607
    5    HB3  GLU  47           HB1      GLU  47  -6.589   0.907  -1.605
    6    HG3  GLU  47           HG1      GLU  47  -4.562   0.507  -3.787

  No H/Q in entry =           6
  In of MODEL   10
    1    HA   SER  48           HA       SER  48  -9.243   4.312  -1.346
    2    HB2  SER  48           HB2      SER  48  -7.243   5.881  -1.166
    3    HG   SER  48           HG       SER  48  -9.899   6.851  -1.104
    4    H    SER  48           HN       SER  48  -7.129   4.383  -3.342
    5    HB3  SER  48           HB1      SER  48  -7.951   6.790  -2.502

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   ILE  49           HA       ILE  49 -11.349   6.954  -4.699
    2    HB   ILE  49           HB       ILE  49 -10.821   6.960  -7.214
    3   HD13  ILE  49          HD11      ILE  49  -9.402   4.280  -7.071
    4   HD12  ILE  49          HD12      ILE  49  -8.115   4.758  -8.179
    5   HD11  ILE  49          HD13      ILE  49  -9.775   5.272  -8.481
    6    H    ILE  49           HN       ILE  49  -8.712   6.088  -4.418

  No H/Q in entry =           6
  In of MODEL   10
    1    HA   LYS  50           HA       LYS  50 -12.069   2.961  -6.919
    2    HB2  LYS  50           HB2      LYS  50 -11.133   0.719  -6.619
    3    HG2  LYS  50           HG2      LYS  50  -8.926   1.777  -4.951
    4    HD2  LYS  50           HD2      LYS  50  -9.125  -0.666  -4.178
    5    HE2  LYS  50           HE2      LYS  50  -7.366   0.279  -5.709
    6    HZ2  LYS  50           HZ1      LYS  50  -8.724   0.811  -7.607
    7    HZ1  LYS  50           HZ2      LYS  50  -9.169  -0.809  -7.803
    8    HZ3  LYS  50           HZ3      LYS  50  -7.565  -0.338  -8.056
    9    H    LYS  50           HN       LYS  50 -10.025   3.825  -5.114
   10    HB3  LYS  50           HB1      LYS  50  -9.897   1.906  -7.007
   11    HG3  LYS  50           HG1      LYS  50 -10.402   1.249  -4.154
   12    HD3  LYS  50           HD1      LYS  50 -10.152  -0.868  -5.592
   13    HE3  LYS  50           HE1      LYS  50  -7.723  -1.433  -5.939

  No H/Q in entry =          13
  In of MODEL   10
    1    HA   ASP  51           HA       ASP  51 -14.086   1.012  -3.330
    2    HB2  ASP  51           HB2      ASP  51 -12.036  -0.128  -2.299
    3    H    ASP  51           HN       ASP  51 -11.374   1.983  -3.485
    4    HB3  ASP  51           HB1      ASP  51 -12.146   1.099  -1.036

  No H/Q in entry =           4
  In of MODEL   10
    1    HA   LYS  52           HA       LYS  52 -14.326   4.519  -0.179
    2    HB2  LYS  52           HB2      LYS  52 -11.791   5.239  -0.346
    3    HG2  LYS  52           HG2      LYS  52 -14.006   7.062   0.557
    4    HD2  LYS  52           HD2      LYS  52 -12.243   8.090   2.000
    5    HE2  LYS  52           HE2      LYS  52 -11.808   8.382  -0.970
    6    HZ1  LYS  52           HZ1      LYS  52 -11.252  10.265   1.258
    7    HZ3  LYS  52           HZ2      LYS  52 -11.093  10.617  -0.389
    8    HZ2  LYS  52           HZ3      LYS  52 -10.087   9.462   0.328
    9    H    LYS  52           HN       LYS  52 -12.280   3.736  -2.006
   10    HB3  LYS  52           HB1      LYS  52 -12.451   6.531  -1.334
   11    HG3  LYS  52           HG1      LYS  52 -13.099   5.906   1.535
   12    HD3  LYS  52           HD1      LYS  52 -11.035   7.230   1.042
   13    HE3  LYS  52           HE1      LYS  52 -13.028   9.230  -0.021

  No H/Q in entry =          13
  In of MODEL   10
    1    HA   LEU  53           HA       LEU  53 -15.622   7.423  -3.598
    2    HB2  LEU  53           HB2      LEU  53 -13.179   6.866  -5.076
    3    HG   LEU  53           HG       LEU  53 -13.410   9.186  -5.846
    4   HD11  LEU  53          HD11      LEU  53 -15.840   9.204  -6.105
    5   HD13  LEU  53          HD12      LEU  53 -15.292  10.541  -5.089
    6   HD12  LEU  53          HD13      LEU  53 -16.029   9.115  -4.355
    7   HD22  LEU  53          HD21      LEU  53 -12.358   8.764  -3.705
    8   HD21  LEU  53          HD22      LEU  53 -13.932   8.750  -2.908
    9   HD23  LEU  53          HD23      LEU  53 -13.316  10.245  -3.616
   10    H    LEU  53           HN       LEU  53 -13.374   5.636  -3.413
   11    HB3  LEU  53           HB1      LEU  53 -14.549   7.077  -6.145

  No H/Q in entry =          11
  In of MODEL   10
    1    HA   SER  54           HA       SER  54 -16.455   3.245  -6.053
    2    HB2  SER  54           HB2      SER  54 -15.565   1.758  -4.342
    3    HG   SER  54           HG       SER  54 -18.046   1.459  -5.421
    4    H    SER  54           HN       SER  54 -15.168   4.180  -3.885
    5    HB3  SER  54           HB1      SER  54 -16.845   2.237  -3.232

  No H/Q in entry =           5
  In of MODEL   10
    1    HA3  GLY  55           HA2      GLY  55 -20.093   5.728  -3.481
    2    H    GLY  55           HN       GLY  55 -18.070   4.304  -3.071
    3    HA2  GLY  55           HA1      GLY  55 -20.595   4.467  -4.597

  No H/Q in entry =           3
  In of MODEL   10
    1    HA3  GLY  56           HA2      GLY  56 -21.263   2.700  -0.367
    2    H    GLY  56           HN       GLY  56 -19.343   2.521  -2.554
    3    HA2  GLY  56           HA1      GLY  56 -21.446   1.331  -1.454

  No H/Q in entry =           3
  In of MODEL   10
    1    HA   SER  57           HA       SER  57 -17.190   0.546   0.371
    2    HB2  SER  57           HB2      SER  57 -15.618   1.919   1.659
    3    HG   SER  57           HG       SER  57 -17.827   3.438   2.054
    4    H    SER  57           HN       SER  57 -18.624   2.951  -0.008
    5    HB3  SER  57           HB1      SER  57 -16.104   2.754   0.185

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   SER  58           HA       SER  58 -17.938  -0.522   4.559
    2    HB2  SER  58           HB2      SER  58 -20.249  -1.355   4.833
    3    HG   SER  58           HG       SER  58 -20.006  -1.728   2.130
    4    H    SER  58           HN       SER  58 -17.621  -1.013   1.789
    5    HB3  SER  58           HB1      SER  58 -20.198   0.149   3.914

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   SER  59           HA       SER  59 -17.571  -4.962   3.023
    2    HB2  SER  59           HB2      SER  59 -15.222  -3.976   1.393
    3    HG   SER  59           HG       SER  59 -16.830  -5.251  -0.128
    4    H    SER  59           HN       SER  59 -16.779  -2.315   2.278
    5    HB3  SER  59           HB1      SER  59 -15.664  -5.673   1.585

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   ARG  60           HA       ARG  60 -13.766  -5.675   5.413
    2    HB2  ARG  60           HB2      ARG  60 -12.146  -5.955   3.590
    3    HG2  ARG  60           HG2      ARG  60 -10.077  -5.605   4.843
    4    HD2  ARG  60           HD2      ARG  60 -12.321  -6.486   6.654
    5    HE   ARG  60           HE       ARG  60  -9.512  -6.571   7.035
    6   HH11  ARG  60          HH11      ARG  60 -12.424  -8.430   7.485
    7   HH12  ARG  60          HH12      ARG  60 -11.792  -9.341   8.814
    8   HH21  ARG  60          HH21      ARG  60  -8.669  -7.768   8.784
    9   HH22  ARG  60          HH22      ARG  60  -9.656  -8.966   9.553
   10    H    ARG  60           HN       ARG  60 -14.133  -4.402   2.886
   11    HB3  ARG  60           HB1      ARG  60 -11.731  -4.251   3.711
   12    HG3  ARG  60           HG1      ARG  60 -10.949  -4.600   5.999
   13    HD3  ARG  60           HD1      ARG  60 -11.550  -7.502   5.438

  No H/Q in entry =          13
  In of MODEL   10
    1    HA   ALA  61           HA       ALA  61 -14.179  -1.416   6.951
    2    HB2  ALA  61           HB1      ALA  61 -15.838  -1.262   8.731
    3    HB1  ALA  61           HB2      ALA  61 -16.061  -3.012   8.688
    4    HB3  ALA  61           HB3      ALA  61 -16.522  -2.030   7.297
    5    H    ALA  61           HN       ALA  61 -15.101  -4.090   6.625

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   SER  62           HA       SER  62 -12.037  -3.375  10.617
    2    HB2  SER  62           HB2      SER  62 -11.446  -5.935   9.113
    3    HG   SER  62           HG       SER  62 -13.341  -6.444   9.843
    4    H    SER  62           HN       SER  62 -12.954  -4.313   8.030
    5    HB3  SER  62           HB1      SER  62 -10.937  -5.589  10.765

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   SER  63           HA       SER  63  -8.354  -3.181   7.445
    2    HB2  SER  63           HB2      SER  63 -10.003  -0.951   6.230
    3    HG   SER  63           HG       SER  63  -9.003  -3.301   5.011
    4    H    SER  63           HN       SER  63 -11.106  -2.803   7.528
    5    HB3  SER  63           HB1      SER  63  -8.335  -1.320   5.793

  No H/Q in entry =           5
  In of MODEL   10
    1    HA   TYR  64           HA       TYR  64  -7.286  -0.013  10.302
    2    HB2  TYR  64           HB2      TYR  64  -5.308  -2.261  10.739
    3    HD1  TYR  64           HD1      TYR  64  -6.411  -4.149  11.478
    4    HD2  TYR  64           HD2      TYR  64  -7.837  -0.332  12.704
    5    HE1  TYR  64           HE1      TYR  64  -8.097  -5.241  12.896
    6    HE2  TYR  64           HE2      TYR  64  -9.526  -1.414  14.128
    7    HH   TYR  64           HH       TYR  64  -9.446  -4.706  14.898
    8    H    TYR  64           HN       TYR  64  -6.854  -2.502   8.818
    9    HB3  TYR  64           HB1      TYR  64  -5.403  -0.811  11.731

  No H/Q in entry =           9
  In of MODEL   10
    1    HA   THR  65           HA       THR  65  -3.880   1.280   7.718
    2    HB   THR  65           HB       THR  65  -3.147   0.444   5.561
    3    HG1  THR  65           HG1      THR  65  -4.713  -0.274   4.321
    4   HG23  THR  65          HG21      THR  65  -2.680  -1.876   6.181
    5   HG22  THR  65          HG22      THR  65  -3.921  -1.793   7.430
    6   HG21  THR  65          HG23      THR  65  -2.474  -0.793   7.557
    7    H    THR  65           HN       THR  65  -6.383  -0.257   7.449

  No H/Q in entry =           7
  In of MODEL   10
    1    HA   LEU  66           HA       LEU  66  -6.149   3.303   4.222
    2    HB2  LEU  66           HB2      LEU  66  -7.535   0.805   3.424
    3    HG   LEU  66           HG       LEU  66  -5.911   2.886   1.991
    4   HD11  LEU  66          HD11      LEU  66  -4.724   1.073   3.116
    5   HD13  LEU  66          HD12      LEU  66  -4.564   0.956   1.363
    6   HD12  LEU  66          HD13      LEU  66  -5.677  -0.111   2.219
    7   HD22  LEU  66          HD21      LEU  66  -6.560   2.161  -0.097
    8   HD21  LEU  66          HD22      LEU  66  -8.091   2.115   0.772
    9   HD23  LEU  66          HD23      LEU  66  -7.185   0.628   0.508
   10    H    LEU  66           HN       LEU  66  -6.343   0.609   5.225
   11    HB3  LEU  66           HB1      LEU  66  -8.261   2.311   2.902

  No H/Q in entry =          11
  In of MODEL   10
    1    HA   GLU  67           HA       GLU  67 -10.476   3.565   6.010
    2    HB2  GLU  67           HB2      GLU  67 -11.293   1.255   5.817
    3    HG2  GLU  67           HG2      GLU  67 -12.920   1.202   7.622
    4    H    GLU  67           HN       GLU  67  -8.667   1.346   5.801
    5    HB3  GLU  67           HB1      GLU  67 -10.539   0.856   7.353
    6    HG3  GLU  67           HG1      GLU  67 -12.008   2.432   8.495

  No H/Q in entry =           6