*HEADER    SH3-DOMAIN                              14-APR-04   1V1C
*TITLE     SOLUTION STRUCTURE OF THE SH3 DOMAIN OF OBSCURIN
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: OBSCURIN;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: SH3 DOMAIN RESIDUES 5601-5668;
*COMPND   5 ENGINEERED: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE   3 ORGANISM_COMMON: HUMAN;
*SOURCE   4 ORGAN: HEART;
*SOURCE   5 TISSUE: MUSCLE;
*SOURCE   6 CELL: MYOCYTE;
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21*;
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET BASED;
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET8C
*KEYWDS    MUSCLE, SARCOMERE, ADAPTER, MYOGENESIS, SH3-DOMAIN
*EXPDTA    NMR, 20 STRUCTURES
*AUTHOR    M.PFUHL,M.GAUTEL
*REVDAT   1   14-APR-05 1V1C    0






assign (segid "    " and resid   11 and name  HE1) (segid "    " and resid   57 and name   HB) 3.744 1.683 1.683 ! spec=aronoesy, no=2, id=446
    or (segid "    " and resid   11 and name  HE2) (segid "    " and resid   57 and name   HB)
    or (segid "    " and resid   11 and name  HE1) (segid "    " and resid   23 and name  HB2)
    or (segid "    " and resid   11 and name  HE2) (segid "    " and resid   23 and name  HB2)
    or (segid "    " and resid   11 and name  HE1) (segid "    " and resid   23 and name   HG)
    or (segid "    " and resid   11 and name  HE2) (segid "    " and resid   23 and name   HG)
assign (segid "    " and resid   23 and name HD12) (segid "    " and resid   11 and name  HE1) 3.744 1.683 1.683 ! spec=aronoesy, no=3, id=447
    or (segid "    " and resid   23 and name HD11) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   23 and name HD13) (segid "    " and resid   11 and name  HE1)
    or (segid "    " and resid   23 and name HD12) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   23 and name HD11) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   23 and name HD13) (segid "    " and resid   11 and name  HE2)
    or (segid "    " and resid   11 and name  HE1) (segid "    " and resid   21 and name HG22)
    or (segid "    " and resid   11 and name  HE1) (segid "    " and resid   21 and name HG21)
    or (segid "    " and resid   11 and name  HE1) (segid "    " and resid   21 and name HG23)
    or (segid "    " and resid   11 and name  HE2) (segid "    " and resid   21 and name HG22)
    or (segid "    " and resid   11 and name  HE2) (segid "    " and resid   21 and name HG21)
    or (segid "    " and resid   11 and name  HE2) (segid "    " and resid   21 and name HG23)
assign (segid "    " and resid    5 and name  HD1) (segid "    " and resid   62 and name HD12) 3.744 1.683 1.683 ! spec=aronoesy, no=4, id=448
    or (segid "    " and resid    5 and name  HD1) (segid "    " and resid   62 and name HD11)
    or (segid "    " and resid    5 and name  HD1) (segid "    " and resid   62 and name HD13)
    or (segid "    " and resid    5 and name  HD2) (segid "    " and resid   62 and name HD12)
    or (segid "    " and resid    5 and name  HD2) (segid "    " and resid   62 and name HD11)
    or (segid "    " and resid    5 and name  HD2) (segid "    " and resid   62 and name HD13)
    or (segid "    " and resid    5 and name  HD1) (segid "    " and resid   62 and name HD22)
    or (segid "    " and resid    5 and name  HD1) (segid "    " and resid   62 and name HD21)
    or (segid "    " and resid    5 and name  HD1) (segid "    " and resid   62 and name HD23)
    or (segid "    " and resid    5 and name  HD2) (segid "    " and resid   62 and name HD22)
    or (segid "    " and resid    5 and name  HD2) (segid "    " and resid   62 and name HD21)
    or (segid "    " and resid    5 and name  HD2) (segid "    " and resid   62 and name HD23)
    or (segid "    " and resid    5 and name  HD1) (segid "    " and resid   29 and name HG12)
    or (segid "    " and resid    5 and name  HD1) (segid "    " and resid   29 and name HG11)
    or (segid "    " and resid    5 and name  HD1) (segid "    " and resid   29 and name HG13)
    or (segid "    " and resid    5 and name  HD2) (segid "    " and resid   29 and name HG12)
    or (segid "    " and resid    5 and name  HD2) (segid "    " and resid   29 and name HG11)
    or (segid "    " and resid    5 and name  HD2) (segid "    " and resid   29 and name HG13)
assign (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name  HB2) 1.762 0.373 0.373 ! spec=cnoesqc1, no=3308, id=170
    or (segid "    " and resid   17 and name  HG2) (segid "    " and resid   17 and name  HB1)
    or (segid "    " and resid   17 and name  HG1) (segid "    " and resid   17 and name  HB2)
    or (segid "    " and resid   17 and name  HG1) (segid "    " and resid   17 and name  HB1)
    or (segid "    " and resid   17 and name  HG2) (segid "    " and resid   13 and name  HB1)
    or (segid "    " and resid   17 and name  HG1) (segid "    " and resid   13 and name  HB1)
assign (segid "    " and resid   54 and name  HG2) (segid "    " and resid   54 and name  HB2) 1.811 0.394 0.394 ! spec=cnoesqc1, no=3394, id=173
    or (segid "    " and resid   54 and name  HG1) (segid "    " and resid   54 and name  HB2)
    or (segid "    " and resid   54 and name  HG2) (segid "    " and resid   54 and name  HB1)
    or (segid "    " and resid   54 and name  HG1) (segid "    " and resid   54 and name  HB1)
assign (segid "    " and resid   44 and name HG21) (segid "    " and resid   29 and name HG22) 1.886 0.427 0.427 ! spec=cnoesqc1, no=3425, id=175
    or (segid "    " and resid   44 and name HG21) (segid "    " and resid   29 and name HG21)
    or (segid "    " and resid   44 and name HG21) (segid "    " and resid   29 and name HG23)
    or (segid "    " and resid   44 and name HG22) (segid "    " and resid   29 and name HG22)
    or (segid "    " and resid   44 and name HG22) (segid "    " and resid   29 and name HG21)
    or (segid "    " and resid   44 and name HG22) (segid "    " and resid   29 and name HG23)
    or (segid "    " and resid   44 and name HG23) (segid "    " and resid   29 and name HG22)
    or (segid "    " and resid   44 and name HG23) (segid "    " and resid   29 and name HG21)
    or (segid "    " and resid   44 and name HG23) (segid "    " and resid   29 and name HG23)
    or (segid "    " and resid   44 and name HG21) (segid "    " and resid   23 and name HD22)
    or (segid "    " and resid   44 and name HG21) (segid "    " and resid   23 and name HD21)
    or (segid "    " and resid   44 and name HG21) (segid "    " and resid   23 and name HD23)
    or (segid "    " and resid   44 and name HG22) (segid "    " and resid   23 and name HD22)
    or (segid "    " and resid   44 and name HG22) (segid "    " and resid   23 and name HD21)
    or (segid "    " and resid   44 and name HG22) (segid "    " and resid   23 and name HD23)
    or (segid "    " and resid   44 and name HG23) (segid "    " and resid   23 and name HD22)
    or (segid "    " and resid   44 and name HG23) (segid "    " and resid   23 and name HD21)
    or (segid "    " and resid   44 and name HG23) (segid "    " and resid   23 and name HD23)
    or (segid "    " and resid   44 and name HG21) (segid "    " and resid   29 and name HG12)
    or (segid "    " and resid   44 and name HG21) (segid "    " and resid   29 and name HG11)
    or (segid "    " and resid   44 and name HG21) (segid "    " and resid   29 and name HG13)
    or (segid "    " and resid   44 and name HG22) (segid "    " and resid   29 and name HG12)
    or (segid "    " and resid   44 and name HG22) (segid "    " and resid   29 and name HG11)
    or (segid "    " and resid   44 and name HG22) (segid "    " and resid   29 and name HG13)
    or (segid "    " and resid   44 and name HG23) (segid "    " and resid   29 and name HG12)
    or (segid "    " and resid   44 and name HG23) (segid "    " and resid   29 and name HG11)
    or (segid "    " and resid   44 and name HG23) (segid "    " and resid   29 and name HG13)
assign (segid "    " and resid   21 and name HD12) (segid "    " and resid   21 and name HG22) 1.888 0.428 0.428 ! spec=cnoesqc1, no=3427, id=176
    or (segid "    " and resid   21 and name HD12) (segid "    " and resid   21 and name HG21)
    or (segid "    " and resid   21 and name HD12) (segid "    " and resid   21 and name HG23)
    or (segid "    " and resid   21 and name HD11) (segid "    " and resid   21 and name HG22)
    or (segid "    " and resid   21 and name HD11) (segid "    " and resid   21 and name HG21)
    or (segid "    " and resid   21 and name HD11) (segid "    " and resid   21 and name HG23)
    or (segid "    " and resid   21 and name HD13) (segid "    " and resid   21 and name HG22)
    or (segid "    " and resid   21 and name HD13) (segid "    " and resid   21 and name HG21)
    or (segid "    " and resid   21 and name HD13) (segid "    " and resid   21 and name HG23)
    or (segid "    " and resid   21 and name HD12) (segid "    " and resid   21 and name HG12)
    or (segid "    " and resid   21 and name HD11) (segid "    " and resid   21 and name HG12)
    or (segid "    " and resid   21 and name HD13) (segid "    " and resid   21 and name HG12)
assign (segid "    " and resid   50 and name   HA) (segid "    " and resid   51 and name  HB1) 3.312 1.316 1.316 ! spec=cnoesqc1, no=3481, id=181
    or (segid "    " and resid   50 and name   HA) (segid "    " and resid   46 and name  HB1)
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HB2) 2.021 0.490 0.490 ! spec=cnoesqc1, no=3505, id=182
    or (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HB1)
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name  HB2) 2.032 0.496 0.496 ! spec=cnoesqc1, no=3512, id=183
    or (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name  HB1)
assign (segid "    " and resid   63 and name   HA) (segid "    " and resid   64 and name  HB1) 3.103 1.155 1.155 ! spec=cnoesqc1, no=3672, id=195
    or (segid "    " and resid   63 and name   HA) (segid "    " and resid   62 and name  HB1)
assign (segid "    " and resid   64 and name   HA) (segid "    " and resid   64 and name  HD2) 3.227 1.250 1.250 ! spec=cnoesqc1, no=3673, id=196
    or (segid "    " and resid   64 and name   HA) (segid "    " and resid   64 and name  HD1)
assign (segid "    " and resid   66 and name   HA) (segid "    " and resid   66 and name  HB2) 2.249 0.607 0.607 ! spec=cnoesqc1, no=3687, id=198
    or (segid "    " and resid   66 and name   HA) (segid "    " and resid   66 and name  HB1)
    or (segid "    " and resid   66 and name   HA) (segid "    " and resid   66 and name   HG)
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   54 and name  HG2) 3.166 1.202 1.202 ! spec=cnoesqc1, no=3702, id=200
    or (segid "    " and resid   43 and name   HA) (segid "    " and resid   54 and name  HG1)
    or (segid "    " and resid   43 and name   HA) (segid "    " and resid   54 and name  HB1)
assign (segid "    " and resid   43 and name  HB2) (segid "    " and resid   54 and name  HB2) 3.043 1.111 1.111 ! spec=cnoesqc1, no=3738, id=202
    or (segid "    " and resid   43 and name  HB2) (segid "    " and resid   54 and name  HB1)
assign (segid "    " and resid    1 and name   HB) (segid "    " and resid    1 and name HG22) 2.228 0.596 0.596 ! spec=cnoesqc1, no=3748, id=205
    or (segid "    " and resid    1 and name   HB) (segid "    " and resid    1 and name HG21)
    or (segid "    " and resid    1 and name   HB) (segid "    " and resid    1 and name HG23)
    or (segid "    " and resid    1 and name   HB) (segid "    " and resid    1 and name HD12)
    or (segid "    " and resid    1 and name   HB) (segid "    " and resid    1 and name HD11)
    or (segid "    " and resid    1 and name   HB) (segid "    " and resid    1 and name HD13)
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name HD22) 2.230 0.597 0.597 ! spec=cnoesqc1, no=3750, id=206
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name HD21)
    or (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name HD23)
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name HD22)
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name HD21)
    or (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name HD23)
    or (segid "    " and resid   14 and name HD12) (segid "    " and resid   14 and name  HB2)
    or (segid "    " and resid   14 and name HD12) (segid "    " and resid   14 and name  HB1)
    or (segid "    " and resid   14 and name HD11) (segid "    " and resid   14 and name  HB2)
    or (segid "    " and resid   14 and name HD11) (segid "    " and resid   14 and name  HB1)
    or (segid "    " and resid   14 and name HD13) (segid "    " and resid   14 and name  HB2)
    or (segid "    " and resid   14 and name HD13) (segid "    " and resid   14 and name  HB1)
assign (segid "    " and resid   60 and name  HB2) (segid "    " and resid   58 and name  HB1) 3.202 1.230 1.230 ! spec=cnoesqc1, no=3817, id=211
    or (segid "    " and resid   60 and name  HB1) (segid "    " and resid   58 and name  HB1)
    or (segid "    " and resid   60 and name  HB3) (segid "    " and resid   58 and name  HB1)
    or (segid "    " and resid   60 and name  HB2) (segid "    " and resid   61 and name   HA)
    or (segid "    " and resid   60 and name  HB1) (segid "    " and resid   61 and name   HA)
    or (segid "    " and resid   60 and name  HB3) (segid "    " and resid   61 and name   HA)
assign (segid "    " and resid   32 and name HD12) (segid "    " and resid   32 and name  HB1) 2.276 0.622 0.622 ! spec=cnoesqc1, no=3840, id=216
    or (segid "    " and resid   32 and name HD11) (segid "    " and resid   32 and name  HB1)
    or (segid "    " and resid   32 and name HD13) (segid "    " and resid   32 and name  HB1)
    or (segid "    " and resid   32 and name HD12) (segid "    " and resid   32 and name   HG)
    or (segid "    " and resid   32 and name HD11) (segid "    " and resid   32 and name   HG)
    or (segid "    " and resid   32 and name HD13) (segid "    " and resid   32 and name   HG)
assign (segid "    " and resid   62 and name  HB2) (segid "    " and resid    5 and name  HB2) 3.068 1.129 1.129 ! spec=cnoesqc1, no=3922, id=222
    or (segid "    " and resid   62 and name  HB2) (segid "    " and resid    5 and name  HB1)
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name  HG2) 2.329 0.651 0.651 ! spec=cnoesqc1, no=3927, id=224
    or (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name  HG1)
    or (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name  HB2)
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name  HB1) 2.354 0.665 0.665 ! spec=cnoesqc1, no=3989, id=231
    or (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name  HB2)
assign (segid "    " and resid   62 and name HD22) (segid "    " and resid    5 and name  HB2) 2.862 0.983 0.983 ! spec=cnoesqc1, no=4011, id=234
    or (segid "    " and resid   62 and name HD21) (segid "    " and resid    5 and name  HB2)
    or (segid "    " and resid   62 and name HD23) (segid "    " and resid    5 and name  HB2)
    or (segid "    " and resid   62 and name HD22) (segid "    " and resid    5 and name  HB1)
    or (segid "    " and resid   62 and name HD21) (segid "    " and resid    5 and name  HB1)
    or (segid "    " and resid   62 and name HD23) (segid "    " and resid    5 and name  HB1)
assign (segid "    " and resid    7 and name HG22) (segid "    " and resid   23 and name HD12) 2.367 0.673 0.673 ! spec=cnoesqc1, no=4014, id=235
    or (segid "    " and resid    7 and name HG22) (segid "    " and resid   23 and name HD11)
    or (segid "    " and resid    7 and name HG22) (segid "    " and resid   23 and name HD13)
    or (segid "    " and resid    7 and name HG21) (segid "    " and resid   23 and name HD12)
    or (segid "    " and resid    7 and name HG21) (segid "    " and resid   23 and name HD11)
    or (segid "    " and resid    7 and name HG21) (segid "    " and resid   23 and name HD13)
    or (segid "    " and resid    7 and name HG23) (segid "    " and resid   23 and name HD12)
    or (segid "    " and resid    7 and name HG23) (segid "    " and resid   23 and name HD11)
    or (segid "    " and resid    7 and name HG23) (segid "    " and resid   23 and name HD13)
    or (segid "    " and resid    7 and name HG22) (segid "    " and resid   62 and name HD12)
    or (segid "    " and resid    7 and name HG22) (segid "    " and resid   62 and name HD11)
    or (segid "    " and resid    7 and name HG22) (segid "    " and resid   62 and name HD13)
    or (segid "    " and resid    7 and name HG21) (segid "    " and resid   62 and name HD12)
    or (segid "    " and resid    7 and name HG21) (segid "    " and resid   62 and name HD11)
    or (segid "    " and resid    7 and name HG21) (segid "    " and resid   62 and name HD13)
    or (segid "    " and resid    7 and name HG23) (segid "    " and resid   62 and name HD12)
    or (segid "    " and resid    7 and name HG23) (segid "    " and resid   62 and name HD11)
    or (segid "    " and resid    7 and name HG23) (segid "    " and resid   62 and name HD13)
assign (segid "    " and resid   40 and name   HA) (segid "    " and resid   40 and name  HB2) 2.380 0.680 0.680 ! spec=cnoesqc1, no=4029, id=237
    or (segid "    " and resid   40 and name   HA) (segid "    " and resid   40 and name  HB1)
assign (segid "    " and resid   13 and name  HD1) (segid "    " and resid   12 and name HD22) 3.108 1.159 1.159 ! spec=cnoesqc1, no=4118, id=244
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid   12 and name HD21)
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid   12 and name HD23)
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid   12 and name HD12)
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid   12 and name HD11)
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid   12 and name HD13)
assign (segid "    " and resid   13 and name  HD1) (segid "    " and resid   12 and name   HG) 2.985 1.069 1.069 ! spec=cnoesqc1, no=4123, id=245
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid   12 and name  HB2)
    or (segid "    " and resid   13 and name  HD1) (segid "    " and resid   12 and name  HB1)
assign (segid "    " and resid   62 and name HD22) (segid "    " and resid    5 and name  HB2) 2.470 0.732 0.732 ! spec=cnoesqc1, no=4238, id=255
    or (segid "    " and resid   62 and name HD21) (segid "    " and resid    5 and name  HB2)
    or (segid "    " and resid   62 and name HD23) (segid "    " and resid    5 and name  HB2)
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid   29 and name HG12)
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid   29 and name HG11)
    or (segid "    " and resid    5 and name  HB2) (segid "    " and resid   29 and name HG13)
assign (segid "    " and resid   43 and name  HD1) (segid "    " and resid   43 and name  HG2) 2.481 0.739 0.739 ! spec=cnoesqc1, no=4277, id=256
    or (segid "    " and resid   43 and name  HD1) (segid "    " and resid   43 and name  HG1)
    or (segid "    " and resid   43 and name  HD1) (segid "    " and resid   43 and name  HB2)
assign (segid "    " and resid   53 and name  HG2) (segid "    " and resid   53 and name  HD1) 2.490 0.744 0.744 ! spec=cnoesqc1, no=4304, id=258
    or (segid "    " and resid   53 and name  HG1) (segid "    " and resid   53 and name  HD1)
    or (segid "    " and resid   53 and name  HG2) (segid "    " and resid   53 and name  HD2)
    or (segid "    " and resid   53 and name  HG1) (segid "    " and resid   53 and name  HD2)
assign (segid "    " and resid   29 and name HG22) (segid "    " and resid   42 and name   HB) 2.330 0.651 0.651 ! spec=cnoesqc1, no=4306, id=259
    or (segid "    " and resid   29 and name HG21) (segid "    " and resid   42 and name   HB)
    or (segid "    " and resid   29 and name HG23) (segid "    " and resid   42 and name   HB)
    or (segid "    " and resid   29 and name HG22) (segid "    " and resid   29 and name   HB)
    or (segid "    " and resid   29 and name HG21) (segid "    " and resid   29 and name   HB)
    or (segid "    " and resid   29 and name HG23) (segid "    " and resid   29 and name   HB)
assign (segid "    " and resid   42 and name HG12) (segid "    " and resid   57 and name HG22) 1.914 0.440 0.440 ! spec=cnoesqc1, no=4313, id=260
    or (segid "    " and resid   42 and name HG12) (segid "    " and resid   57 and name HG21)
    or (segid "    " and resid   42 and name HG12) (segid "    " and resid   57 and name HG23)
    or (segid "    " and resid   42 and name HG11) (segid "    " and resid   57 and name HG22)
    or (segid "    " and resid   42 and name HG11) (segid "    " and resid   57 and name HG21)
    or (segid "    " and resid   42 and name HG11) (segid "    " and resid   57 and name HG23)
    or (segid "    " and resid   42 and name HG13) (segid "    " and resid   57 and name HG22)
    or (segid "    " and resid   42 and name HG13) (segid "    " and resid   57 and name HG21)
    or (segid "    " and resid   42 and name HG13) (segid "    " and resid   57 and name HG23)
    or (segid "    " and resid   42 and name HG12) (segid "    " and resid   42 and name HG22)
    or (segid "    " and resid   42 and name HG12) (segid "    " and resid   42 and name HG21)
    or (segid "    " and resid   42 and name HG12) (segid "    " and resid   42 and name HG23)
    or (segid "    " and resid   42 and name HG11) (segid "    " and resid   42 and name HG22)
    or (segid "    " and resid   42 and name HG11) (segid "    " and resid   42 and name HG21)
    or (segid "    " and resid   42 and name HG11) (segid "    " and resid   42 and name HG23)
    or (segid "    " and resid   42 and name HG13) (segid "    " and resid   42 and name HG22)
    or (segid "    " and resid   42 and name HG13) (segid "    " and resid   42 and name HG21)
    or (segid "    " and resid   42 and name HG13) (segid "    " and resid   42 and name HG23)
assign (segid "    " and resid   43 and name  HD2) (segid "    " and resid   43 and name  HG2) 2.495 0.747 0.747 ! spec=cnoesqc1, no=4319, id=261
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   43 and name  HG1)
    or (segid "    " and resid   43 and name  HD2) (segid "    " and resid   43 and name  HB2)
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    8 and name   HA) 2.980 1.066 1.066 ! spec=cnoesqc1, no=4393, id=266
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid    8 and name   HA)
    or (segid "    " and resid    9 and name  HB3) (segid "    " and resid    8 and name   HA)
    or (segid "    " and resid    9 and name  HB2) (segid "    " and resid   61 and name   HA)
    or (segid "    " and resid    9 and name  HB1) (segid "    " and resid   61 and name   HA)
    or (segid "    " and resid    9 and name  HB3) (segid "    " and resid   61 and name   HA)
assign (segid "    " and resid   40 and name   HA) (segid "    " and resid   56 and name  HZ3) 2.967 1.056 1.056 ! spec=cnoesqc1, no=4504, id=284
    or (segid "    " and resid   40 and name   HA) (segid "    " and resid   56 and name  HE3)
assign (segid "    " and resid   40 and name  HB2) (segid "    " and resid   62 and name HD22) 3.192 1.223 1.223 ! spec=cnoesqc1, no=4510, id=285
    or (segid "    " and resid   40 and name  HB2) (segid "    " and resid   62 and name HD21)
    or (segid "    " and resid   40 and name  HB2) (segid "    " and resid   62 and name HD23)
    or (segid "    " and resid   40 and name  HB2) (segid "    " and resid   57 and name HG22)
    or (segid "    " and resid   40 and name  HB2) (segid "    " and resid   57 and name HG21)
    or (segid "    " and resid   40 and name  HB2) (segid "    " and resid   57 and name HG23)
    or (segid "    " and resid   40 and name  HB2) (segid "    " and resid   42 and name HG22)
    or (segid "    " and resid   40 and name  HB2) (segid "    " and resid   42 and name HG21)
    or (segid "    " and resid   40 and name  HB2) (segid "    " and resid   42 and name HG23)
assign (segid "    " and resid   52 and name  HB2) (segid "    " and resid   53 and name  HB2) 2.919 1.023 1.023 ! spec=cnoesqc1, no=4561, id=292
    or (segid "    " and resid   52 and name  HB2) (segid "    " and resid   43 and name  HG2)
    or (segid "    " and resid   52 and name  HB2) (segid "    " and resid   43 and name  HG1)
    or (segid "    " and resid   52 and name  HB2) (segid "    " and resid   43 and name  HB2)
assign (segid "    " and resid   64 and name   HA) (segid "    " and resid    5 and name  HD1) 3.140 1.183 1.183 ! spec=cnoesqc1, no=4607, id=303
    or (segid "    " and resid   64 and name   HA) (segid "    " and resid    5 and name  HD2)
    or (segid "    " and resid   64 and name   HA) (segid "    " and resid    5 and name  HE1)
    or (segid "    " and resid   64 and name   HA) (segid "    " and resid    5 and name  HE2)
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name HD22) 2.566 0.790 0.790 ! spec=cnoesqc1, no=4636, id=304
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name HD21)
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name HD23)
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name HD12)
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name HD11)
    or (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name HD13)
assign (segid "    " and resid   44 and name HG21) (segid "    " and resid   53 and name  HB2) 3.065 1.127 1.127 ! spec=cnoesqc1, no=4726, id=307
    or (segid "    " and resid   44 and name HG22) (segid "    " and resid   53 and name  HB2)
    or (segid "    " and resid   44 and name HG23) (segid "    " and resid   53 and name  HB2)
    or (segid "    " and resid   44 and name HG21) (segid "    " and resid   53 and name  HG2)
    or (segid "    " and resid   44 and name HG21) (segid "    " and resid   53 and name  HG1)
    or (segid "    " and resid   44 and name HG22) (segid "    " and resid   53 and name  HG2)
    or (segid "    " and resid   44 and name HG22) (segid "    " and resid   53 and name  HG1)
    or (segid "    " and resid   44 and name HG23) (segid "    " and resid   53 and name  HG2)
    or (segid "    " and resid   44 and name HG23) (segid "    " and resid   53 and name  HG1)
assign (segid "    " and resid   62 and name HD22) (segid "    " and resid    5 and name  HB1) 2.587 0.803 0.803 ! spec=cnoesqc1, no=4749, id=310
    or (segid "    " and resid   62 and name HD21) (segid "    " and resid    5 and name  HB1)
    or (segid "    " and resid   62 and name HD23) (segid "    " and resid    5 and name  HB1)
    or (segid "    " and resid   62 and name HD12) (segid "    " and resid    5 and name  HB1)
    or (segid "    " and resid   62 and name HD11) (segid "    " and resid    5 and name  HB1)
    or (segid "    " and resid   62 and name HD13) (segid "    " and resid    5 and name  HB1)
assign (segid "    " and resid    6 and name HG12) (segid "    " and resid   65 and name  HG2) 2.593 0.807 0.807 ! spec=cnoesqc1, no=4788, id=311
    or (segid "    " and resid    6 and name HG12) (segid "    " and resid   65 and name  HG1)
    or (segid "    " and resid    6 and name HG11) (segid "    " and resid   65 and name  HG2)
    or (segid "    " and resid    6 and name HG11) (segid "    " and resid   65 and name  HG1)
    or (segid "    " and resid    6 and name HG13) (segid "    " and resid   65 and name  HG2)
    or (segid "    " and resid    6 and name HG13) (segid "    " and resid   65 and name  HG1)
    or (segid "    " and resid    6 and name HG12) (segid "    " and resid   65 and name  HB2)
    or (segid "    " and resid    6 and name HG11) (segid "    " and resid   65 and name  HB2)
    or (segid "    " and resid    6 and name HG13) (segid "    " and resid   65 and name  HB2)
assign (segid "    " and resid   42 and name HG12) (segid "    " and resid   40 and name  HB2) 2.662 0.851 0.851 ! spec=cnoesqc1, no=4800, id=312
    or (segid "    " and resid   42 and name HG11) (segid "    " and resid   40 and name  HB2)
    or (segid "    " and resid   42 and name HG13) (segid "    " and resid   40 and name  HB2)
    or (segid "    " and resid   42 and name HG12) (segid "    " and resid   40 and name  HB1)
    or (segid "    " and resid   42 and name HG11) (segid "    " and resid   40 and name  HB1)
    or (segid "    " and resid   42 and name HG13) (segid "    " and resid   40 and name  HB1)
assign (segid "    " and resid   55 and name  HA2) (segid "    " and resid   21 and name HG22) 2.647 0.841 0.841 ! spec=cnoesqc1, no=4877, id=317
    or (segid "    " and resid   55 and name  HA2) (segid "    " and resid   21 and name HG21)
    or (segid "    " and resid   55 and name  HA2) (segid "    " and resid   21 and name HG23)
    or (segid "    " and resid   55 and name  HA2) (segid "    " and resid   42 and name HG22)
    or (segid "    " and resid   55 and name  HA2) (segid "    " and resid   42 and name HG21)
    or (segid "    " and resid   55 and name  HA2) (segid "    " and resid   42 and name HG23)
assign (segid "    " and resid   32 and name HD12) (segid "    " and resid   43 and name  HG2) 2.630 0.830 0.830 ! spec=cnoesqc1, no=5055, id=320
    or (segid "    " and resid   32 and name HD12) (segid "    " and resid   43 and name  HG1)
    or (segid "    " and resid   32 and name HD11) (segid "    " and resid   43 and name  HG2)
    or (segid "    " and resid   32 and name HD11) (segid "    " and resid   43 and name  HG1)
    or (segid "    " and resid   32 and name HD13) (segid "    " and resid   43 and name  HG2)
    or (segid "    " and resid   32 and name HD13) (segid "    " and resid   43 and name  HG1)
    or (segid "    " and resid   32 and name HD12) (segid "    " and resid   43 and name  HB2)
    or (segid "    " and resid   32 and name HD11) (segid "    " and resid   43 and name  HB2)
    or (segid "    " and resid   32 and name HD13) (segid "    " and resid   43 and name  HB2)
assign (segid "    " and resid   32 and name HD12) (segid "    " and resid   54 and name  HG2) 2.981 1.067 1.067 ! spec=cnoesqc1, no=5622, id=329
    or (segid "    " and resid   32 and name HD12) (segid "    " and resid   54 and name  HG1)
    or (segid "    " and resid   32 and name HD11) (segid "    " and resid   54 and name  HG2)
    or (segid "    " and resid   32 and name HD11) (segid "    " and resid   54 and name  HG1)
    or (segid "    " and resid   32 and name HD13) (segid "    " and resid   54 and name  HG2)
    or (segid "    " and resid   32 and name HD13) (segid "    " and resid   54 and name  HG1)
    or (segid "    " and resid   32 and name HD12) (segid "    " and resid   54 and name  HB1)
    or (segid "    " and resid   32 and name HD11) (segid "    " and resid   54 and name  HB1)
    or (segid "    " and resid   32 and name HD13) (segid "    " and resid   54 and name  HB1)
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   57 and name HG22) 2.740 0.901 0.901 ! spec=cnoesqc1, no=5902, id=334
    or (segid "    " and resid   56 and name   HA) (segid "    " and resid   57 and name HG21)
    or (segid "    " and resid   56 and name   HA) (segid "    " and resid   57 and name HG23)
    or (segid "    " and resid   56 and name   HA) (segid "    " and resid   42 and name HG22)
    or (segid "    " and resid   56 and name   HA) (segid "    " and resid   42 and name HG21)
    or (segid "    " and resid   56 and name   HA) (segid "    " and resid   42 and name HG23)
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   23 and name   HG) 2.765 0.917 0.917 ! spec=cnoesqc1, no=6144, id=340
    or (segid "    " and resid   22 and name   HA) (segid "    " and resid   13 and name  HG2)
assign (segid "    " and resid   54 and name   HA) (segid "    " and resid   42 and name HG22) 2.780 0.927 0.927 ! spec=cnoesqc1, no=6311, id=347
    or (segid "    " and resid   54 and name   HA) (segid "    " and resid   42 and name HG21)
    or (segid "    " and resid   54 and name   HA) (segid "    " and resid   42 and name HG23)
    or (segid "    " and resid   54 and name   HA) (segid "    " and resid   29 and name HG22)
    or (segid "    " and resid   54 and name   HA) (segid "    " and resid   29 and name HG21)
    or (segid "    " and resid   54 and name   HA) (segid "    " and resid   29 and name HG23)
    or (segid "    " and resid   54 and name   HA) (segid "    " and resid   21 and name HG22)
    or (segid "    " and resid   54 and name   HA) (segid "    " and resid   21 and name HG21)
    or (segid "    " and resid   54 and name   HA) (segid "    " and resid   21 and name HG23)
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name  HD1) 2.807 0.945 0.945 ! spec=cnoesqc1, no=6554, id=354
    or (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name  HD2)
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid   43 and name  HB2) 2.852 0.976 0.976 ! spec=cnoesqc1, no=6947, id=371
    or (segid "    " and resid   32 and name HD21) (segid "    " and resid   43 and name  HB2)
    or (segid "    " and resid   32 and name HD23) (segid "    " and resid   43 and name  HB2)
    or (segid "    " and resid   32 and name HD22) (segid "    " and resid   43 and name  HG2)
    or (segid "    " and resid   32 and name HD22) (segid "    " and resid   43 and name  HG1)
    or (segid "    " and resid   32 and name HD21) (segid "    " and resid   43 and name  HG2)
    or (segid "    " and resid   32 and name HD21) (segid "    " and resid   43 and name  HG1)
    or (segid "    " and resid   32 and name HD23) (segid "    " and resid   43 and name  HG2)
    or (segid "    " and resid   32 and name HD23) (segid "    " and resid   43 and name  HG1)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid   31 and name   HB) 2.852 0.976 0.976 ! spec=cnoesqc1, no=6952, id=372
    or (segid "    " and resid    3 and name  HB1) (segid "    " and resid   31 and name   HB)
    or (segid "    " and resid   31 and name   HB) (segid "    " and resid    5 and name  HB2)
assign (segid "    " and resid   64 and name  HG2) (segid "    " and resid   64 and name  HD1) 2.863 0.984 0.984 ! spec=cnoesqc1, no=7036, id=374
    or (segid "    " and resid   64 and name  HG2) (segid "    " and resid   64 and name  HD2)
assign (segid "    " and resid   53 and name  HB2) (segid "    " and resid   53 and name  HD1) 2.883 0.998 0.998 ! spec=cnoesqc1, no=7199, id=381
    or (segid "    " and resid   53 and name  HB2) (segid "    " and resid   53 and name  HD2)
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   23 and name HD22) 2.909 1.016 1.016 ! spec=cnoesqc1, no=7421, id=383
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid   23 and name HD21)
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid   23 and name HD23)
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid   29 and name HG12)
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid   29 and name HG11)
    or (segid "    " and resid   27 and name  HB1) (segid "    " and resid   29 and name HG13)
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid    2 and name  HD1) 2.916 1.020 1.020 ! spec=cnoesqc1, no=7485, id=386
    or (segid "    " and resid   32 and name   HA) (segid "    " and resid    2 and name  HD2)
    or (segid "    " and resid   32 and name   HA) (segid "    " and resid   33 and name   HN)
assign (segid "    " and resid   45 and name   HA) (segid "    " and resid   46 and name  HG2) 2.925 1.026 1.026 ! spec=cnoesqc1, no=7577, id=391
    or (segid "    " and resid   45 and name   HA) (segid "    " and resid   46 and name  HG1)
    or (segid "    " and resid   46 and name  HG2) (segid "    " and resid   51 and name   HA)
    or (segid "    " and resid   46 and name  HG1) (segid "    " and resid   51 and name   HA)
assign (segid "    " and resid   32 and name HD12) (segid "    " and resid   54 and name  HB1) 2.935 1.034 1.034 ! spec=cnoesqc1, no=7660, id=393
    or (segid "    " and resid   32 and name HD11) (segid "    " and resid   54 and name  HB1)
    or (segid "    " and resid   32 and name HD13) (segid "    " and resid   54 and name  HB1)
    or (segid "    " and resid   32 and name HD12) (segid "    " and resid   54 and name  HB1)
    or (segid "    " and resid   32 and name HD11) (segid "    " and resid   54 and name  HB1)
    or (segid "    " and resid   32 and name HD13) (segid "    " and resid   54 and name  HB1)
assign (segid "    " and resid    6 and name   HA) (segid "    " and resid    7 and name HG22) 2.936 1.034 1.034 ! spec=cnoesqc1, no=7670, id=394
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    7 and name HG21)
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    7 and name HG23)
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    4 and name HG22)
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    4 and name HG21)
    or (segid "    " and resid    6 and name   HA) (segid "    " and resid    4 and name HG23)
assign (segid "    " and resid   53 and name  HB1) (segid "    " and resid   53 and name  HD2) 2.948 1.043 1.043 ! spec=cnoesqc1, no=7767, id=398
    or (segid "    " and resid   53 and name  HB1) (segid "    " and resid   53 and name  HD1)
assign (segid "    " and resid    7 and name   HB) (segid "    " and resid   29 and name HG12) 2.952 1.046 1.046 ! spec=cnoesqc1, no=7802, id=399
    or (segid "    " and resid    7 and name   HB) (segid "    " and resid   29 and name HG11)
    or (segid "    " and resid    7 and name   HB) (segid "    " and resid   29 and name HG13)
    or (segid "    " and resid    7 and name   HB) (segid "    " and resid   23 and name HD22)
    or (segid "    " and resid    7 and name   HB) (segid "    " and resid   23 and name HD21)
    or (segid "    " and resid    7 and name   HB) (segid "    " and resid   23 and name HD23)
    or (segid "    " and resid    7 and name   HB) (segid "    " and resid   23 and name HD12)
    or (segid "    " and resid    7 and name   HB) (segid "    " and resid   23 and name HD11)
    or (segid "    " and resid    7 and name   HB) (segid "    " and resid   23 and name HD13)
    or (segid "    " and resid    7 and name   HB) (segid "    " and resid   62 and name HD12)
    or (segid "    " and resid    7 and name   HB) (segid "    " and resid   62 and name HD11)
    or (segid "    " and resid    7 and name   HB) (segid "    " and resid   62 and name HD13)
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   23 and name HD12) 2.968 1.057 1.057 ! spec=cnoesqc1, no=7937, id=403
    or (segid "    " and resid   27 and name  HB2) (segid "    " and resid   23 and name HD11)
    or (segid "    " and resid   27 and name  HB2) (segid "    " and resid   23 and name HD13)
    or (segid "    " and resid   27 and name  HB2) (segid "    " and resid   23 and name HD22)
    or (segid "    " and resid   27 and name  HB2) (segid "    " and resid   23 and name HD21)
    or (segid "    " and resid   27 and name  HB2) (segid "    " and resid   23 and name HD23)
assign (segid "    " and resid   64 and name  HG1) (segid "    " and resid   64 and name  HD2) 2.970 1.058 1.058 ! spec=cnoesqc1, no=7959, id=405
    or (segid "    " and resid   64 and name  HG1) (segid "    " and resid   64 and name  HD1)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   65 and name  HB2) 3.216 1.241 1.241 ! spec=cnoesqc1, no=8056, id=406
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   62 and name  HB1)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   64 and name  HB2) 3.155 1.194 1.194 ! spec=cnoesqc1, no=8057, id=407
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   62 and name   HG)
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid   62 and name HD22) 3.190 1.221 1.221 ! spec=cnoesqc1, no=8058, id=408
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   62 and name HD21)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   62 and name HD23)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   29 and name HG12)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   29 and name HG11)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   29 and name HG13)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   62 and name HD12)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   62 and name HD11)
    or (segid "    " and resid    5 and name   HA) (segid "    " and resid   62 and name HD13)
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   12 and name   HG) 3.328 1.329 1.329 ! spec=cnoesqc1, no=8065, id=410
    or (segid "    " and resid   11 and name   HA) (segid "    " and resid   12 and name  HB2)
    or (segid "    " and resid   11 and name   HA) (segid "    " and resid   12 and name  HB1)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   62 and name HD22) 3.126 1.172 1.172 ! spec=cnoesqc1, no=8067, id=411
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   62 and name HD21)
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   62 and name HD23)
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   23 and name HD12)
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   23 and name HD11)
    or (segid "    " and resid   11 and name  HB2) (segid "    " and resid   23 and name HD13)
assign (segid "    " and resid    4 and name HD12) (segid "    " and resid   45 and name  HE2) 3.105 1.157 1.157 ! spec=cnoesqc1, no=8091, id=417
    or (segid "    " and resid    4 and name HD11) (segid "    " and resid   45 and name  HE2)
    or (segid "    " and resid    4 and name HD13) (segid "    " and resid   45 and name  HE2)
    or (segid "    " and resid    4 and name HD12) (segid "    " and resid   28 and name  HB1)
    or (segid "    " and resid    4 and name HD11) (segid "    " and resid   28 and name  HB1)
    or (segid "    " and resid    4 and name HD13) (segid "    " and resid   28 and name  HB1)
assign (segid "    " and resid   12 and name   HG) (segid "    " and resid   12 and name HD22) 2.809 0.947 0.947 ! spec=cnoesqc1, no=8121, id=424
    or (segid "    " and resid   12 and name   HG) (segid "    " and resid   12 and name HD21)
    or (segid "    " and resid   12 and name   HG) (segid "    " and resid   12 and name HD23)
    or (segid "    " and resid   12 and name   HG) (segid "    " and resid   12 and name HD12)
    or (segid "    " and resid   12 and name   HG) (segid "    " and resid   12 and name HD11)
    or (segid "    " and resid   12 and name   HG) (segid "    " and resid   12 and name HD13)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   55 and name  HA2) 3.724 1.664 1.664 ! spec=cnoesqc1, no=8159, id=428
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   55 and name  HA2)
    or (segid "    " and resid   20 and name  HB3) (segid "    " and resid   55 and name  HA2)
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   13 and name   HA)
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   13 and name   HA)
    or (segid "    " and resid   20 and name  HB3) (segid "    " and resid   13 and name   HA)
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   13 and name  HG2) 3.112 1.162 1.162 ! spec=cnoesqc1, no=8160, id=429
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   13 and name  HG1)
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   13 and name  HG2)
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   13 and name  HG1)
    or (segid "    " and resid   20 and name  HB3) (segid "    " and resid   13 and name  HG2)
    or (segid "    " and resid   20 and name  HB3) (segid "    " and resid   13 and name  HG1)
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   13 and name  HB2)
    or (segid "    " and resid   20 and name  HB2) (segid "    " and resid   13 and name  HB1)
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   13 and name  HB2)
    or (segid "    " and resid   20 and name  HB1) (segid "    " and resid   13 and name  HB1)
    or (segid "    " and resid   20 and name  HB3) (segid "    " and resid   13 and name  HB2)
    or (segid "    " and resid   20 and name  HB3) (segid "    " and resid   13 and name  HB1)
assign (segid "    " and resid   21 and name HD12) (segid "    " and resid   53 and name  HG2) 2.712 0.882 0.882 ! spec=cnoesqc1, no=8166, id=431
    or (segid "    " and resid   21 and name HD12) (segid "    " and resid   53 and name  HG1)
    or (segid "    " and resid   21 and name HD11) (segid "    " and resid   53 and name  HG2)
    or (segid "    " and resid   21 and name HD11) (segid "    " and resid   53 and name  HG1)
    or (segid "    " and resid   21 and name HD13) (segid "    " and resid   53 and name  HG2)
    or (segid "    " and resid   21 and name HD13) (segid "    " and resid   53 and name  HG1)
    or (segid "    " and resid   21 and name HD12) (segid "    " and resid   53 and name  HB2)
    or (segid "    " and resid   21 and name HD11) (segid "    " and resid   53 and name  HB2)
    or (segid "    " and resid   21 and name HD13) (segid "    " and resid   53 and name  HB2)
assign (segid "    " and resid   26 and name  HA2) (segid "    " and resid   27 and name  HB2) 3.395 1.383 1.383 ! spec=cnoesqc1, no=8193, id=437
    or (segid "    " and resid   26 and name  HA2) (segid "    " and resid   25 and name  HG2)
assign (segid "    " and resid   32 and name HD22) (segid "    " and resid    2 and name   HZ) 2.889 1.002 1.002 ! spec=cnoesqc1, no=8207, id=439
    or (segid "    " and resid   32 and name HD21) (segid "    " and resid    2 and name   HZ)
    or (segid "    " and resid   32 and name HD23) (segid "    " and resid    2 and name   HZ)
    or (segid "    " and resid   32 and name HD22) (segid "    " and resid    2 and name  HD1)
    or (segid "    " and resid   32 and name HD22) (segid "    " and resid    2 and name  HD2)
    or (segid "    " and resid   32 and name HD21) (segid "    " and resid    2 and name  HD1)
    or (segid "    " and resid   32 and name HD21) (segid "    " and resid    2 and name  HD2)
    or (segid "    " and resid   32 and name HD23) (segid "    " and resid    2 and name  HD1)
    or (segid "    " and resid   32 and name HD23) (segid "    " and resid    2 and name  HD2)
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   54 and name  HB2) 2.972 1.060 1.060 ! spec=cnoesqc1, no=8250, id=443
    or (segid "    " and resid   43 and name   HA) (segid "    " and resid   54 and name  HB1)
assign (segid "    " and resid   56 and name  HE1) (segid "    " and resid   56 and name  HZ2) 2.184 0.572 0.572 ! spec=nnoesy1, no=820, id=2
    or (segid "    " and resid   56 and name  HE1) (segid "    " and resid   56 and name  HD1)
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name  HB1) 2.234 0.599 0.599 ! spec=nnoesy1, no=831, id=3
    or (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name  HB2)
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name  HB2) 2.408 0.696 0.696 ! spec=nnoesy1, no=839, id=4
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name  HB1)
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB2)
assign (segid "    " and resid   54 and name HE21) (segid "    " and resid   54 and name  HB1) 2.443 0.716 0.716 ! spec=nnoesy1, no=873, id=8
    or (segid "    " and resid   54 and name HE21) (segid "    " and resid   54 and name  HG2)
    or (segid "    " and resid   54 and name HE21) (segid "    " and resid   54 and name  HG1)
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   42 and name HG22) 2.685 0.865 0.865 ! spec=nnoesy1, no=946, id=17
    or (segid "    " and resid   55 and name   HN) (segid "    " and resid   42 and name HG21)
    or (segid "    " and resid   55 and name   HN) (segid "    " and resid   42 and name HG23)
    or (segid "    " and resid   55 and name   HN) (segid "    " and resid   21 and name HG22)
    or (segid "    " and resid   55 and name   HN) (segid "    " and resid   21 and name HG21)
    or (segid "    " and resid   55 and name   HN) (segid "    " and resid   21 and name HG23)
assign (segid "    " and resid    1 and name  HT3) (segid "    " and resid    1 and name HG22) 2.738 0.899 0.899 ! spec=nnoesy1, no=961, id=21
    or (segid "    " and resid    1 and name  HT3) (segid "    " and resid    1 and name HG21)
    or (segid "    " and resid    1 and name  HT3) (segid "    " and resid    1 and name HG23)
    or (segid "    " and resid    1 and name  HT2) (segid "    " and resid    1 and name HG22)
    or (segid "    " and resid    1 and name  HT2) (segid "    " and resid    1 and name HG21)
    or (segid "    " and resid    1 and name  HT2) (segid "    " and resid    1 and name HG23)
    or (segid "    " and resid    1 and name  HT1) (segid "    " and resid    1 and name HG22)
    or (segid "    " and resid    1 and name  HT1) (segid "    " and resid    1 and name HG21)
    or (segid "    " and resid    1 and name  HT1) (segid "    " and resid    1 and name HG23)
    or (segid "    " and resid    1 and name  HT3) (segid "    " and resid    1 and name HD12)
    or (segid "    " and resid    1 and name  HT3) (segid "    " and resid    1 and name HD11)
    or (segid "    " and resid    1 and name  HT3) (segid "    " and resid    1 and name HD13)
    or (segid "    " and resid    1 and name  HT2) (segid "    " and resid    1 and name HD12)
    or (segid "    " and resid    1 and name  HT2) (segid "    " and resid    1 and name HD11)
    or (segid "    " and resid    1 and name  HT2) (segid "    " and resid    1 and name HD13)
    or (segid "    " and resid    1 and name  HT1) (segid "    " and resid    1 and name HD12)
    or (segid "    " and resid    1 and name  HT1) (segid "    " and resid    1 and name HD11)
    or (segid "    " and resid    1 and name  HT1) (segid "    " and resid    1 and name HD13)
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name  HG2) 2.778 0.926 0.926 ! spec=nnoesy1, no=985, id=24
    or (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name  HG1)
    or (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name  HB2)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid   29 and name HG12) 2.890 1.002 1.002 ! spec=nnoesy1, no=1038, id=28
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid   29 and name HG11)
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid   29 and name HG13)
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid   29 and name HG22)
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid   29 and name HG21)
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid   29 and name HG23)
assign (segid "    " and resid   54 and name HE22) (segid "    " and resid   54 and name  HG2) 2.916 1.020 1.020 ! spec=nnoesy1, no=1058, id=34
    or (segid "    " and resid   54 and name HE22) (segid "    " and resid   54 and name  HG1)
    or (segid "    " and resid   54 and name HE22) (segid "    " and resid   54 and name  HB1)
assign (segid "    " and resid   43 and name   HE) (segid "    " and resid   43 and name  HG2) 2.899 1.008 1.008 ! spec=nnoesy1, no=1065, id=37
    or (segid "    " and resid   43 and name   HE) (segid "    " and resid   43 and name  HG1)
    or (segid "    " and resid   43 and name   HE) (segid "    " and resid   43 and name  HB2)
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name  HB2) 2.946 1.042 1.042 ! spec=nnoesy1, no=1073, id=41
    or (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name  HG2)
    or (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name  HG1)
assign (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name HD22) 3.056 1.121 1.121 ! spec=nnoesy1, no=1083, id=43
    or (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name HD21)
    or (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name HD23)
    or (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name HD12)
    or (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name HD11)
    or (segid "    " and resid   63 and name   HN) (segid "    " and resid   62 and name HD13)
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name HG22) 2.988 1.071 1.071 ! spec=nnoesy1, no=1094, id=45
    or (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name HG21)
    or (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name HG23)
    or (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name HD12)
    or (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name HD11)
    or (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name HD13)
assign (segid "    " and resid   53 and name   HE) (segid "    " and resid   53 and name  HD1) 3.355 1.350 1.350 ! spec=nnoesy1, no=1107, id=50
    or (segid "    " and resid   53 and name   HE) (segid "    " and resid   53 and name  HD2)
assign (segid "    " and resid   64 and name   HE) (segid "    " and resid   64 and name  HD1) 3.116 1.165 1.165 ! spec=nnoesy1, no=1112, id=53
    or (segid "    " and resid   64 and name   HE) (segid "    " and resid   64 and name  HD2)
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   42 and name HG22) 3.029 1.101 1.101 ! spec=nnoesy1, no=1117, id=55
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   42 and name HG21)
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   42 and name HG23)
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   21 and name HG22)
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   21 and name HG21)
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   21 and name HG23)
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   29 and name HG22) 3.041 1.110 1.110 ! spec=nnoesy1, no=1122, id=57
    or (segid "    " and resid   43 and name   HN) (segid "    " and resid   29 and name HG21)
    or (segid "    " and resid   43 and name   HN) (segid "    " and resid   29 and name HG23)
    or (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name HG22)
    or (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name HG21)
    or (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name HG23)
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   42 and name HG12) 3.070 1.131 1.131 ! spec=nnoesy1, no=1137, id=60
    or (segid "    " and resid   32 and name   HN) (segid "    " and resid   42 and name HG11)
    or (segid "    " and resid   32 and name   HN) (segid "    " and resid   42 and name HG13)
    or (segid "    " and resid   32 and name   HN) (segid "    " and resid   41 and name   HG)
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   17 and name  HB2) 3.130 1.176 1.176 ! spec=nnoesy1, no=1157, id=68
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   17 and name  HB1)
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   18 and name  HB2)
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid   31 and name   HB) 3.372 1.365 1.365 ! spec=nnoesy1, no=1185, id=72
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid   30 and name  HB1)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name HG11) 3.835 1.765 1.765 ! spec=nnoesy1, no=1203, id=77
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid   62 and name  HB1)
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid   31 and name   HN) 3.219 1.243 1.243 ! spec=nnoesy1, no=1210, id=79
    or (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name   HN)
assign (segid "    " and resid   27 and name HE21) (segid "    " and resid   23 and name HD22) 3.250 1.267 1.267 ! spec=nnoesy1, no=1224, id=82
    or (segid "    " and resid   27 and name HE21) (segid "    " and resid   23 and name HD21)
    or (segid "    " and resid   27 and name HE21) (segid "    " and resid   23 and name HD23)
    or (segid "    " and resid   27 and name HE21) (segid "    " and resid   29 and name HG12)
    or (segid "    " and resid   27 and name HE21) (segid "    " and resid   29 and name HG11)
    or (segid "    " and resid   27 and name HE21) (segid "    " and resid   29 and name HG13)
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name   HB) 3.574 1.533 1.533 ! spec=nnoesy1, no=1240, id=86
    or (segid "    " and resid   22 and name   HN) (segid "    " and resid   23 and name   HG)
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name  HB1) 3.278 1.290 1.290 ! spec=nnoesy1, no=1247, id=91
    or (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name  HB2)
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid    3 and name  HB2) 3.346 1.344 1.344 ! spec=nnoesy1, no=1274, id=95
    or (segid "    " and resid   31 and name   HN) (segid "    " and resid    3 and name  HB1)
    or (segid "    " and resid   31 and name   HN) (segid "    " and resid    2 and name  HB2)
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name  HB2) 3.332 1.332 1.332 ! spec=nnoesy1, no=1285, id=101
    or (segid "    " and resid   26 and name   HN) (segid "    " and resid   24 and name  HB1)
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   42 and name HG22) 3.334 1.334 1.334 ! spec=nnoesy1, no=1286, id=102
    or (segid "    " and resid   44 and name   HN) (segid "    " and resid   42 and name HG21)
    or (segid "    " and resid   44 and name   HN) (segid "    " and resid   42 and name HG23)
    or (segid "    " and resid   44 and name   HN) (segid "    " and resid   29 and name HG22)
    or (segid "    " and resid   44 and name   HN) (segid "    " and resid   29 and name HG21)
    or (segid "    " and resid   44 and name   HN) (segid "    " and resid   29 and name HG23)
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   52 and name  HB1) 3.346 1.344 1.344 ! spec=nnoesy1, no=1294, id=105
    or (segid "    " and resid   53 and name   HN) (segid "    " and resid   52 and name  HB2)
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   48 and name  HB1) 3.383 1.374 1.374 ! spec=nnoesy1, no=1317, id=111
    or (segid "    " and resid   50 and name   HN) (segid "    " and resid   47 and name HG21)
    or (segid "    " and resid   50 and name   HN) (segid "    " and resid   47 and name HG22)
    or (segid "    " and resid   50 and name   HN) (segid "    " and resid   47 and name HG23)
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   59 and name  HG2) 3.100 1.153 1.153 ! spec=nnoesy1, no=1353, id=117
    or (segid "    " and resid   40 and name   HN) (segid "    " and resid   57 and name HG22)
    or (segid "    " and resid   40 and name   HN) (segid "    " and resid   57 and name HG21)
    or (segid "    " and resid   40 and name   HN) (segid "    " and resid   57 and name HG23)
assign (segid "    " and resid   54 and name HE21) (segid "    " and resid   54 and name  HB2) 3.469 1.444 1.444 ! spec=nnoesy1, no=1385, id=120
    or (segid "    " and resid   54 and name HE21) (segid "    " and resid   54 and name  HB1)
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    5 and name  HD1) 3.624 1.576 1.576 ! spec=nnoesy1, no=1418, id=126
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid    5 and name  HD2)
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid    5 and name  HE1)
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid    5 and name  HE2)
assign (segid "    " and resid   27 and name HE21) (segid "    " and resid   27 and name  HB2) 3.516 1.484 1.484 ! spec=nnoesy1, no=1436, id=128
    or (segid "    " and resid   27 and name HE21) (segid "    " and resid   29 and name   HB)
assign (segid "    " and resid   27 and name HE22) (segid "    " and resid   29 and name HG22) 3.546 1.509 1.509 ! spec=nnoesy1, no=1463, id=131
    or (segid "    " and resid   27 and name HE22) (segid "    " and resid   29 and name HG21)
    or (segid "    " and resid   27 and name HE22) (segid "    " and resid   29 and name HG23)
    or (segid "    " and resid   27 and name HE22) (segid "    " and resid   23 and name HD22)
    or (segid "    " and resid   27 and name HE22) (segid "    " and resid   23 and name HD21)
    or (segid "    " and resid   27 and name HE22) (segid "    " and resid   23 and name HD23)
    or (segid "    " and resid   27 and name HE22) (segid "    " and resid   29 and name HG12)
    or (segid "    " and resid   27 and name HE22) (segid "    " and resid   29 and name HG11)
    or (segid "    " and resid   27 and name HE22) (segid "    " and resid   29 and name HG13)
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name  HD1) 3.720 1.660 1.660 ! spec=nnoesy1, no=1466, id=132
    or (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name  HE3)
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid    4 and name HD12) 3.551 1.513 1.513 ! spec=nnoesy1, no=1468, id=133
    or (segid "    " and resid   67 and name   HN) (segid "    " and resid    4 and name HD11)
    or (segid "    " and resid   67 and name   HN) (segid "    " and resid    4 and name HD13)
    or (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name HD22)
    or (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name HD21)
    or (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name HD23)
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid   62 and name   HG) 3.733 1.672 1.672 ! spec=nnoesy1, no=1491, id=136
    or (segid "    " and resid    6 and name   HN) (segid "    " and resid   62 and name  HB2)
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   41 and name   HG) 3.371 1.364 1.364 ! spec=nnoesy1, no=4197, id=150
    or (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name HG12)
    or (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name HG11)
    or (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name HG13)
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   21 and name   HN) 3.206 1.234 1.234 ! spec=nnoesy1, no=4202, id=152
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   20 and name   HN)
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   40 and name  HB1) 3.696 1.639 1.639 ! spec=nnoesy1, no=4203, id=153
    or (segid "    " and resid   57 and name   HN) (segid "    " and resid   40 and name  HB2)
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   62 and name  HB1) 3.766 1.702 1.702 ! spec=nnoesy1, no=4284, id=156
    or (segid "    " and resid   61 and name   HN) (segid "    " and resid   57 and name   HB)
assign (segid "    " and resid   27 and name HE21) (segid "    " and resid   23 and name   HG) 3.915 1.839 1.839 ! spec=nnoesy1, no=4288, id=157
    or (segid "    " and resid   27 and name HE21) (segid "    " and resid   24 and name  HB2)
    or (segid "    " and resid   27 and name HE21) (segid "    " and resid   45 and name  HG1)
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name  HB2) 2.658 0.848 0.848 ! spec=nnoesy1, no=4290, id=158
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name  HB1)
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB1)
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ILE   1           H1       ILE   1  12.671   7.969  -4.286
    2    H2   ILE   1           H2       ILE   1  12.580   6.487  -5.097
    3    H3   ILE   1           H3       ILE   1  13.721   7.641  -5.572
    4    HA   ILE   1           HA       ILE   1  11.994   9.137  -6.288
    5    HB   ILE   1           HB       ILE   1  11.416   6.422  -7.461
    6   1HG1  ILE   1          1HG1      ILE   1  13.835   6.618  -7.290
    7   2HG1  ILE   1          2HG1      ILE   1  13.343   6.809  -8.969
    8   1HG2  ILE   1          1HG2      ILE   1  10.025   8.243  -8.264
    9   2HG2  ILE   1          2HG2      ILE   1  11.461   9.189  -8.657
   10   3HG2  ILE   1          3HG2      ILE   1  11.122   7.696  -9.533
   11   1HD1  ILE   1          1HD1      ILE   1  13.571   9.240  -8.741
   12   2HD1  ILE   1          2HD1      ILE   1  14.104   9.020  -7.075
   13   3HD1  ILE   1          3HD1      ILE   1  15.078   8.390  -8.403
   14    H    PHE   2           H        PHE   2  10.621   5.979  -5.374
   15    HA   PHE   2           HA       PHE   2   7.972   7.170  -5.168
   16   1HB   PHE   2          1HB       PHE   2   8.820   4.300  -4.727
   17   2HB   PHE   2          2HB       PHE   2   7.170   4.891  -4.889
   18    HD1  PHE   2           HD1      PHE   2  10.204   3.940  -6.632
   19    HD2  PHE   2           HD2      PHE   2   6.343   5.675  -7.065
   20    HE1  PHE   2           HE1      PHE   2  10.328   3.599  -9.065
   21    HE2  PHE   2           HE2      PHE   2   6.458   5.336  -9.498
   22    HZ   PHE   2           HZ       PHE   2   8.453   4.297 -10.502
   23    H    ASP   3           H        ASP   3   6.653   6.256  -3.195
   24    HA   ASP   3           HA       ASP   3   8.299   6.635  -0.780
   25   1HB   ASP   3          1HB       ASP   3   5.497   7.649  -1.287
   26   2HB   ASP   3          2HB       ASP   3   6.357   7.782   0.244
   27    H    ILE   4           H        ILE   4   8.425   4.747   0.226
   28    HA   ILE   4           HA       ILE   4   6.286   2.809   0.121
   29    HB   ILE   4           HB       ILE   4   8.854   2.668   1.704
   30   1HG1  ILE   4          1HG1      ILE   4   8.306   1.592  -1.071
   31   2HG1  ILE   4          2HG1      ILE   4   9.245   3.042  -0.734
   32   1HG2  ILE   4          1HG2      ILE   4   7.126   1.092   2.397
   33   2HG2  ILE   4          2HG2      ILE   4   6.982   0.513   0.737
   34   3HG2  ILE   4          3HG2      ILE   4   8.480   0.260   1.632
   35   1HD1  ILE   4          1HD1      ILE   4  10.855   1.676   0.522
   36   2HD1  ILE   4          2HD1      ILE   4   9.928   0.235   0.108
   37   3HD1  ILE   4          3HD1      ILE   4  10.708   1.177  -1.163
   38    H    TYR   5           H        TYR   5   4.607   2.954   1.454
   39    HA   TYR   5           HA       TYR   5   4.920   4.239   4.067
   40   1HB   TYR   5          1HB       TYR   5   2.431   3.436   2.549
   41   2HB   TYR   5          2HB       TYR   5   2.444   4.247   4.111
   42    HD1  TYR   5           HD1      TYR   5   2.786   6.599   4.272
   43    HD2  TYR   5           HD2      TYR   5   3.259   4.633   0.529
   44    HE1  TYR   5           HE1      TYR   5   2.855   8.781   3.142
   45    HE2  TYR   5           HE2      TYR   5   3.330   6.809  -0.612
   46    HH   TYR   5           HH       TYR   5   2.594   9.117  -0.231
   47    H    VAL   6           H        VAL   6   3.900   3.252   5.956
   48    HA   VAL   6           HA       VAL   6   3.848   0.310   5.799
   49    HB   VAL   6           HB       VAL   6   5.911   1.021   6.886
   50   1HG1  VAL   6          1HG1      VAL   6   4.110   2.445   8.842
   51   2HG1  VAL   6          2HG1      VAL   6   5.851   2.230   9.027
   52   3HG1  VAL   6          3HG1      VAL   6   5.219   3.198   7.696
   53   1HG2  VAL   6          1HG2      VAL   6   4.838  -1.038   7.649
   54   2HG2  VAL   6          2HG2      VAL   6   5.687  -0.234   8.970
   55   3HG2  VAL   6          3HG2      VAL   6   3.930  -0.124   8.854
   56    H    VAL   7           H        VAL   7   2.289  -0.753   6.936
   57    HA   VAL   7           HA       VAL   7   0.043   0.836   7.849
   58    HB   VAL   7           HB       VAL   7   0.306  -2.174   7.765
   59   1HG1  VAL   7          1HG1      VAL   7  -2.096  -0.362   7.951
   60   2HG1  VAL   7          2HG1      VAL   7  -2.166  -2.106   7.697
   61   3HG1  VAL   7          3HG1      VAL   7  -1.495  -1.458   9.195
   62   1HG2  VAL   7          1HG2      VAL   7   0.671  -1.243   5.546
   63   2HG2  VAL   7          2HG2      VAL   7  -0.891  -2.057   5.629
   64   3HG2  VAL   7          3HG2      VAL   7  -0.810  -0.296   5.684
   65    H    THR   8           H        THR   8   0.142   1.612   9.865
   66    HA   THR   8           HA       THR   8   1.246  -0.109  11.985
   67    HB   THR   8           HB       THR   8   1.571   1.940  13.302
   68    HG1  THR   8           HG1      THR   8  -0.132   2.981  11.597
   69   1HG2  THR   8          1HG2      THR   8   2.757   2.090  10.527
   70   2HG2  THR   8          2HG2      THR   8   3.375   2.925  11.952
   71   3HG2  THR   8          3HG2      THR   8   3.399   1.163  11.884
   72    H    ALA   9           H        ALA   9  -1.587   0.127  10.785
   73    HA   ALA   9           HA       ALA   9  -2.940   0.147  13.380
   74   1HB   ALA   9          1HB       ALA   9  -3.266   2.388  12.461
   75   2HB   ALA   9          2HB       ALA   9  -4.785   1.495  12.533
   76   3HB   ALA   9          3HB       ALA   9  -3.948   1.689  10.993
   77    H    ASP  10           H        ASP  10  -2.147  -1.672  10.952
   78    HA   ASP  10           HA       ASP  10  -2.931  -3.591  10.024
   79   1HB   ASP  10          1HB       ASP  10  -3.649  -4.130  12.312
   80   2HB   ASP  10          2HB       ASP  10  -5.170  -3.285  12.040
   81    H    TYR  11           H        TYR  11  -4.453  -4.371   8.468
   82    HA   TYR  11           HA       TYR  11  -6.701  -2.670   7.780
   83   1HB   TYR  11          1HB       TYR  11  -4.610  -1.730   6.652
   84   2HB   TYR  11          2HB       TYR  11  -4.605  -3.196   5.677
   85    HD1  TYR  11           HD1      TYR  11  -6.257  -3.541   3.944
   86    HD2  TYR  11           HD2      TYR  11  -6.368  -0.057   6.383
   87    HE1  TYR  11           HE1      TYR  11  -7.839  -2.500   2.374
   88    HE2  TYR  11           HE2      TYR  11  -7.952   0.993   4.823
   89    HH   TYR  11           HH       TYR  11  -9.547  -0.745   2.374
   90    H    LEU  12           H        LEU  12  -8.046  -4.407   8.103
   91    HA   LEU  12           HA       LEU  12  -7.683  -6.688   6.276
   92   1HB   LEU  12          1HB       LEU  12  -9.055  -6.588   8.961
   93   2HB   LEU  12          2HB       LEU  12  -9.061  -7.980   7.894
   94    HG   LEU  12           HG       LEU  12  -6.572  -6.765   9.096
   95   1HD1  LEU  12          1HD1      LEU  12  -7.990  -7.727  10.825
   96   2HD1  LEU  12          2HD1      LEU  12  -8.111  -9.228   9.906
   97   3HD1  LEU  12          3HD1      LEU  12  -6.555  -8.718  10.563
   98   1HD2  LEU  12          1HD2      LEU  12  -6.218  -7.931   6.966
   99   2HD2  LEU  12          2HD2      LEU  12  -5.482  -8.790   8.318
  100   3HD2  LEU  12          3HD2      LEU  12  -7.000  -9.366   7.629
  101    HA   PRO  13           HA       PRO  13 -11.313  -4.778   4.341
  102   1HB   PRO  13          1HB       PRO  13 -11.109  -7.277   2.742
  103   2HB   PRO  13          2HB       PRO  13 -11.250  -5.601   2.200
  104   1HG   PRO  13          1HG       PRO  13  -8.927  -6.881   2.027
  105   2HG   PRO  13          2HG       PRO  13  -8.985  -5.175   2.510
  106   1HD   PRO  13          1HD       PRO  13  -8.596  -7.613   4.203
  107   2HD   PRO  13          2HD       PRO  13  -7.813  -6.024   4.317
  108    H    LEU  14           H        LEU  14 -13.211  -4.962   5.328
  109    HA   LEU  14           HA       LEU  14 -14.106  -7.522   6.358
  110   1HB   LEU  14          1HB       LEU  14 -15.223  -4.728   6.558
  111   2HB   LEU  14          2HB       LEU  14 -16.027  -6.132   7.233
  112    HG   LEU  14           HG       LEU  14 -13.239  -5.287   8.014
  113   1HD1  LEU  14          1HD1      LEU  14 -15.867  -4.687   9.364
  114   2HD1  LEU  14          2HD1      LEU  14 -14.272  -4.395  10.058
  115   3HD1  LEU  14          3HD1      LEU  14 -14.780  -3.518   8.615
  116   1HD2  LEU  14          1HD2      LEU  14 -13.760  -7.638   8.406
  117   2HD2  LEU  14          2HD2      LEU  14 -13.632  -6.757   9.928
  118   3HD2  LEU  14          3HD2      LEU  14 -15.219  -7.177   9.282
  119    H    GLY  15           H        GLY  15 -14.735  -8.775   4.657
  120   1HA   GLY  15          1HA       GLY  15 -17.102  -7.819   3.186
  121   2HA   GLY  15          2HA       GLY  15 -16.733  -9.504   3.519
  122    H    ALA  16           H        ALA  16 -17.190  -7.809   1.006
  123    HA   ALA  16           HA       ALA  16 -14.787  -8.729  -0.436
  124   1HB   ALA  16          1HB       ALA  16 -16.216  -9.147  -2.371
  125   2HB   ALA  16          2HB       ALA  16 -17.627  -8.632  -1.447
  126   3HB   ALA  16          3HB       ALA  16 -16.744 -10.084  -0.974
  127    H    GLU  17           H        GLU  17 -13.597  -7.001  -0.918
  128    HA   GLU  17           HA       GLU  17 -14.962  -4.554  -1.818
  129   1HB   GLU  17          1HB       GLU  17 -12.151  -4.886  -0.751
  130   2HB   GLU  17          2HB       GLU  17 -12.895  -3.366  -1.228
  131   1HG   GLU  17          1HG       GLU  17 -13.758  -5.138   1.046
  132   2HG   GLU  17          2HG       GLU  17 -12.898  -3.606   1.178
  133    H    GLN  18           H        GLN  18 -14.786  -3.979  -3.887
  134    HA   GLN  18           HA       GLN  18 -13.166  -5.572  -5.672
  135   1HB   GLN  18          1HB       GLN  18 -15.499  -4.832  -6.216
  136   2HB   GLN  18          2HB       GLN  18 -14.898  -3.184  -6.330
  137   1HG   GLN  18          1HG       GLN  18 -15.090  -4.120  -8.528
  138   2HG   GLN  18          2HG       GLN  18 -13.386  -3.889  -8.140
  139   1HE2  GLN  18          1HE2      GLN  18 -12.085  -5.693  -7.758
  140   2HE2  GLN  18          2HE2      GLN  18 -12.556  -7.280  -8.251
  141    H    ASP  19           H        ASP  19 -11.426  -4.905  -6.867
  142    HA   ASP  19           HA       ASP  19  -9.542  -3.751  -7.395
  143   1HB   ASP  19          1HB       ASP  19 -11.216  -1.319  -6.731
  144   2HB   ASP  19          2HB       ASP  19  -9.705  -1.316  -7.635
  145    H    ALA  20           H        ALA  20 -10.164  -4.533  -4.572
  146    HA   ALA  20           HA       ALA  20  -8.391  -2.628  -3.191
  147   1HB   ALA  20          1HB       ALA  20 -10.635  -2.791  -2.217
  148   2HB   ALA  20          2HB       ALA  20 -10.397  -4.522  -1.972
  149   3HB   ALA  20          3HB       ALA  20  -9.392  -3.362  -1.103
  150    H    ILE  21           H        ILE  21  -6.895  -3.528  -1.619
  151    HA   ILE  21           HA       ILE  21  -6.126  -6.314  -2.174
  152    HB   ILE  21           HB       ILE  21  -4.623  -4.823  -3.423
  153   1HG1  ILE  21          1HG1      ILE  21  -3.234  -6.062  -1.036
  154   2HG1  ILE  21          2HG1      ILE  21  -3.801  -6.965  -2.437
  155   1HG2  ILE  21          1HG2      ILE  21  -4.819  -2.856  -1.975
  156   2HG2  ILE  21          2HG2      ILE  21  -3.890  -3.687  -0.727
  157   3HG2  ILE  21          3HG2      ILE  21  -3.134  -3.284  -2.269
  158   1HD1  ILE  21          1HD1      ILE  21  -2.277  -5.680  -3.862
  159   2HD1  ILE  21          2HD1      ILE  21  -1.693  -4.816  -2.440
  160   3HD1  ILE  21          3HD1      ILE  21  -1.425  -6.553  -2.588
  161    H    THR  22           H        THR  22  -5.270  -7.464  -0.453
  162    HA   THR  22           HA       THR  22  -5.977  -6.495   2.160
  163    HB   THR  22           HB       THR  22  -5.191  -8.683   2.971
  164    HG1  THR  22           HG1      THR  22  -3.725  -9.654   1.803
  165   1HG2  THR  22          1HG2      THR  22  -7.471  -8.483   2.094
  166   2HG2  THR  22          2HG2      THR  22  -6.886  -8.881   0.478
  167   3HG2  THR  22          3HG2      THR  22  -6.801 -10.081   1.767
  168    H    LEU  23           H        LEU  23  -4.576  -6.209   3.935
  169    HA   LEU  23           HA       LEU  23  -1.709  -6.120   3.415
  170   1HB   LEU  23          1HB       LEU  23  -3.377  -3.733   4.169
  171   2HB   LEU  23          2HB       LEU  23  -1.661  -3.806   4.518
  172    HG   LEU  23           HG       LEU  23  -2.893  -3.956   1.763
  173   1HD1  LEU  23          1HD1      LEU  23  -1.386  -1.739   3.141
  174   2HD1  LEU  23          2HD1      LEU  23  -1.878  -1.746   1.448
  175   3HD1  LEU  23          3HD1      LEU  23  -3.098  -1.737   2.721
  176   1HD2  LEU  23          1HD2      LEU  23  -0.007  -3.855   2.634
  177   2HD2  LEU  23          2HD2      LEU  23  -0.828  -5.235   1.905
  178   3HD2  LEU  23          3HD2      LEU  23  -0.581  -3.761   0.969
  179    H    ARG  24           H        ARG  24  -0.417  -6.059   5.297
  180    HA   ARG  24           HA       ARG  24  -1.863  -6.736   7.774
  181   1HB   ARG  24          1HB       ARG  24   0.772  -7.815   6.755
  182   2HB   ARG  24          2HB       ARG  24   0.119  -8.140   8.355
  183   1HG   ARG  24          1HG       ARG  24  -1.251  -8.869   5.775
  184   2HG   ARG  24          2HG       ARG  24  -0.255  -9.967   6.732
  185   1HD   ARG  24          1HD       ARG  24  -2.796  -8.609   7.623
  186   2HD   ARG  24          2HD       ARG  24  -2.607 -10.315   7.221
  187    HE   ARG  24           HE       ARG  24  -0.778  -9.760   9.225
  188   1HH1  ARG  24          1HH1      ARG  24  -4.240  -9.739   8.816
  189   2HH1  ARG  24          2HH1      ARG  24  -4.566 -10.075  10.483
  190   1HH2  ARG  24          1HH2      ARG  24  -1.200 -10.203  11.418
  191   2HH2  ARG  24          2HH2      ARG  24  -2.838 -10.339  11.963
  192    H    GLU  25           H        GLU  25  -1.240  -5.753   9.645
  193    HA   GLU  25           HA       GLU  25   0.041  -3.281   9.548
  194   1HB   GLU  25          1HB       GLU  25  -1.487  -3.878  11.343
  195   2HB   GLU  25          2HB       GLU  25  -0.385  -5.122  11.907
  196   1HG   GLU  25          1HG       GLU  25   1.274  -3.383  12.434
  197   2HG   GLU  25          2HG       GLU  25   0.116  -2.155  11.923
  198    H    GLY  26           H        GLY  26   2.061  -3.185   8.715
  199   1HA   GLY  26          1HA       GLY  26   4.136  -4.841  10.013
  200   2HA   GLY  26          2HA       GLY  26   4.370  -3.126   9.708
  201    H    GLN  27           H        GLN  27   2.819  -3.567   7.104
  202    HA   GLN  27           HA       GLN  27   4.845  -5.000   5.566
  203   1HB   GLN  27          1HB       GLN  27   1.996  -4.660   5.400
  204   2HB   GLN  27          2HB       GLN  27   2.746  -4.123   3.908
  205   1HG   GLN  27          1HG       GLN  27   3.172  -6.801   5.201
  206   2HG   GLN  27          2HG       GLN  27   2.083  -6.484   3.851
  207   1HE2  GLN  27          1HE2      GLN  27   2.954  -5.994   1.822
  208   2HE2  GLN  27          2HE2      GLN  27   4.592  -6.367   1.420
  209    H    TYR  28           H        TYR  28   5.524  -4.054   3.492
  210    HA   TYR  28           HA       TYR  28   5.635  -1.109   3.596
  211   1HB   TYR  28          1HB       TYR  28   7.831  -2.851   2.487
  212   2HB   TYR  28          2HB       TYR  28   7.902  -1.140   2.888
  213    HD1  TYR  28           HD1      TYR  28   8.119  -4.537   4.174
  214    HD2  TYR  28           HD2      TYR  28   8.055  -0.418   5.234
  215    HE1  TYR  28           HE1      TYR  28   8.993  -5.104   6.401
  216    HE2  TYR  28           HE2      TYR  28   8.929  -0.973   7.464
  217    HH   TYR  28           HH       TYR  28   9.009  -2.907   8.983
  218    H    VAL  29           H        VAL  29   5.164  -0.029   1.749
  219    HA   VAL  29           HA       VAL  29   5.304  -1.302  -0.829
  220    HB   VAL  29           HB       VAL  29   3.202  -2.233  -0.199
  221   1HG1  VAL  29          1HG1      VAL  29   2.704  -0.737   1.672
  222   2HG1  VAL  29          2HG1      VAL  29   2.319   0.556   0.536
  223   3HG1  VAL  29          3HG1      VAL  29   1.321  -0.898   0.589
  224   1HG2  VAL  29          1HG2      VAL  29   3.368  -1.324  -2.486
  225   2HG2  VAL  29          2HG2      VAL  29   1.715  -1.315  -1.872
  226   3HG2  VAL  29          3HG2      VAL  29   2.647   0.181  -1.920
  227    H    GLU  30           H        GLU  30   5.957   0.198  -2.209
  228    HA   GLU  30           HA       GLU  30   5.810   2.994  -1.598
  229   1HB   GLU  30          1HB       GLU  30   6.958   3.241  -3.813
  230   2HB   GLU  30          2HB       GLU  30   7.794   2.194  -2.676
  231   1HG   GLU  30          1HG       GLU  30   6.834   0.234  -3.818
  232   2HG   GLU  30          2HG       GLU  30   6.085   1.316  -4.992
  233    H    VAL  31           H        VAL  31   4.829   4.616  -2.911
  234    HA   VAL  31           HA       VAL  31   2.292   3.748  -4.043
  235    HB   VAL  31           HB       VAL  31   2.348   5.644  -2.448
  236   1HG1  VAL  31          1HG1      VAL  31   4.494   6.607  -3.113
  237   2HG1  VAL  31          2HG1      VAL  31   3.796   7.101  -4.655
  238   3HG1  VAL  31          3HG1      VAL  31   3.207   7.812  -3.153
  239   1HG2  VAL  31          1HG2      VAL  31   1.412   6.339  -5.229
  240   2HG2  VAL  31          2HG2      VAL  31   0.501   5.451  -4.007
  241   3HG2  VAL  31          3HG2      VAL  31   0.902   7.148  -3.748
  242    H    LEU  32           H        LEU  32   1.743   3.854  -6.159
  243    HA   LEU  32           HA       LEU  32   3.872   4.336  -8.066
  244   1HB   LEU  32          1HB       LEU  32   1.051   3.319  -8.365
  245   2HB   LEU  32          2HB       LEU  32   2.121   3.580  -9.728
  246    HG   LEU  32           HG       LEU  32   2.645   1.661  -7.454
  247   1HD1  LEU  32          1HD1      LEU  32   1.710   1.190 -10.280
  248   2HD1  LEU  32          2HD1      LEU  32   2.252  -0.072  -9.174
  249   3HD1  LEU  32          3HD1      LEU  32   0.811   0.872  -8.797
  250   1HD2  LEU  32          1HD2      LEU  32   4.133   2.153 -10.032
  251   2HD2  LEU  32          2HD2      LEU  32   4.703   2.522  -8.405
  252   3HD2  LEU  32          3HD2      LEU  32   4.463   0.845  -8.895
  253    H    ASP  33           H        ASP  33   0.447   5.337  -8.008
  254    HA   ASP  33           HA       ASP  33   1.273   8.035  -8.795
  255   1HB   ASP  33          1HB       ASP  33  -0.828   6.395 -10.226
  256   2HB   ASP  33          2HB       ASP  33  -0.514   8.104 -10.514
  257    H    ALA  34           H        ALA  34  -0.239   9.682  -8.310
  258    HA   ALA  34           HA       ALA  34  -2.131   8.914  -6.199
  259   1HB   ALA  34          1HB       ALA  34  -0.395  10.524  -5.569
  260   2HB   ALA  34          2HB       ALA  34  -0.963  11.625  -6.825
  261   3HB   ALA  34          3HB       ALA  34  -2.007  11.230  -5.459
  262    H    ALA  35           H        ALA  35  -4.122   8.596  -6.971
  263    HA   ALA  35           HA       ALA  35  -5.098  10.187  -9.210
  264   1HB   ALA  35          1HB       ALA  35  -5.441   7.762  -9.249
  265   2HB   ALA  35          2HB       ALA  35  -6.402   7.878  -7.775
  266   3HB   ALA  35          3HB       ALA  35  -6.971   8.637  -9.261
  267    H    HIS  36           H        HIS  36  -6.873   9.032  -6.365
  268    HA   HIS  36           HA       HIS  36  -7.927  11.760  -6.034
  269   1HB   HIS  36          1HB       HIS  36  -9.212   9.086  -5.466
  270   2HB   HIS  36          2HB       HIS  36  -9.899  10.623  -4.951
  271    HD1  HIS  36           HD1      HIS  36 -10.046   8.265  -7.641
  272    HD2  HIS  36           HD2      HIS  36 -10.354  12.397  -7.325
  273    HE1  HIS  36           HE1      HIS  36 -11.200   9.017  -9.746
  274    HE2  HIS  36           HE2      HIS  36 -11.375  11.522  -9.534
  275    HA   PRO  37           HA       PRO  37  -6.077  12.085  -2.026
  276   1HB   PRO  37          1HB       PRO  37  -8.688  13.290  -1.228
  277   2HB   PRO  37          2HB       PRO  37  -7.063  13.937  -1.047
  278   1HG   PRO  37          1HG       PRO  37  -8.607  14.913  -2.872
  279   2HG   PRO  37          2HG       PRO  37  -6.915  14.583  -3.263
  280   1HD   PRO  37          1HD       PRO  37  -9.358  12.986  -3.966
  281   2HD   PRO  37          2HD       PRO  37  -7.949  13.386  -4.973
  282    H    LEU  38           H        LEU  38  -9.187  10.610  -2.496
  283    HA   LEU  38           HA       LEU  38  -9.568   9.630   0.140
  284   1HB   LEU  38          1HB       LEU  38 -10.672   8.732  -2.519
  285   2HB   LEU  38          2HB       LEU  38 -11.155   8.026  -0.990
  286    HG   LEU  38           HG       LEU  38 -11.881  10.356  -0.285
  287   1HD1  LEU  38          1HD1      LEU  38 -11.528  10.859  -3.235
  288   2HD1  LEU  38          2HD1      LEU  38 -12.391  11.916  -2.119
  289   3HD1  LEU  38          3HD1      LEU  38 -10.660  11.650  -1.920
  290   1HD2  LEU  38          1HD2      LEU  38 -13.455   8.608  -0.931
  291   2HD2  LEU  38          2HD2      LEU  38 -14.004  10.191  -1.480
  292   3HD2  LEU  38          3HD2      LEU  38 -13.277   9.064  -2.625
  293    H    ARG  39           H        ARG  39  -8.319   8.111  -2.825
  294    HA   ARG  39           HA       ARG  39  -6.696   6.330  -1.190
  295   1HB   ARG  39          1HB       ARG  39  -7.438   4.334  -2.457
  296   2HB   ARG  39          2HB       ARG  39  -8.718   5.038  -1.480
  297   1HG   ARG  39          1HG       ARG  39  -9.422   6.256  -3.621
  298   2HG   ARG  39          2HG       ARG  39  -8.381   5.099  -4.455
  299   1HD   ARG  39          1HD       ARG  39 -10.766   4.487  -2.717
  300   2HD   ARG  39          2HD       ARG  39 -10.633   4.259  -4.460
  301    HE   ARG  39           HE       ARG  39  -8.607   2.772  -3.273
  302   1HH1  ARG  39          1HH1      ARG  39 -12.091   2.834  -3.340
  303   2HH1  ARG  39          2HH1      ARG  39 -12.255   1.130  -3.075
  304   1HH2  ARG  39          1HH2      ARG  39  -8.815   0.527  -2.923
  305   2HH2  ARG  39          2HH2      ARG  39 -10.393  -0.180  -2.838
  306    H    TRP  40           H        TRP  40  -4.740   5.988  -2.057
  307    HA   TRP  40           HA       TRP  40  -4.270   7.000  -4.773
  308   1HB   TRP  40          1HB       TRP  40  -2.399   6.619  -2.432
  309   2HB   TRP  40          2HB       TRP  40  -1.849   7.041  -4.050
  310    HD1  TRP  40           HD1      TRP  40  -4.234   9.170  -4.651
  311    HE1  TRP  40           HE1      TRP  40  -4.119  11.471  -3.505
  312    HE3  TRP  40           HE3      TRP  40  -1.096   7.999  -0.788
  313    HZ2  TRP  40           HZ2      TRP  40  -2.862  12.637  -1.264
  314    HZ3  TRP  40           HZ3      TRP  40  -0.483   9.767   0.811
  315    HH2  TRP  40           HH2      TRP  40  -1.349  12.037   0.576
  316    H    LEU  41           H        LEU  41  -2.805   5.874  -6.168
  317    HA   LEU  41           HA       LEU  41  -3.232   3.027  -6.123
  318   1HB   LEU  41          1HB       LEU  41  -3.347   4.280  -8.218
  319   2HB   LEU  41          2HB       LEU  41  -1.679   4.785  -8.028
  320    HG   LEU  41           HG       LEU  41  -1.048   2.332  -8.140
  321   1HD1  LEU  41          1HD1      LEU  41  -3.913   2.116  -9.046
  322   2HD1  LEU  41          2HD1      LEU  41  -2.689   0.866  -9.264
  323   3HD1  LEU  41          3HD1      LEU  41  -3.184   1.342  -7.640
  324   1HD2  LEU  41          1HD2      LEU  41  -0.726   3.871 -10.008
  325   2HD2  LEU  41          2HD2      LEU  41  -1.183   2.265 -10.575
  326   3HD2  LEU  41          3HD2      LEU  41  -2.376   3.564 -10.551
  327    H    VAL  42           H        VAL  42  -1.894   1.532  -5.330
  328    HA   VAL  42           HA       VAL  42   0.961   2.156  -5.068
  329    HB   VAL  42           HB       VAL  42   1.057   1.227  -2.817
  330   1HG1  VAL  42          1HG1      VAL  42  -0.991   3.427  -3.073
  331   2HG1  VAL  42          2HG1      VAL  42  -0.083   3.036  -1.613
  332   3HG1  VAL  42          3HG1      VAL  42   0.760   3.630  -3.043
  333   1HG2  VAL  42          1HG2      VAL  42  -0.821  -0.315  -2.959
  334   2HG2  VAL  42          2HG2      VAL  42  -0.994   0.747  -1.561
  335   3HG2  VAL  42          3HG2      VAL  42  -1.947   1.041  -3.015
  336    H    ARG  43           H        ARG  43   2.334   0.306  -4.908
  337    HA   ARG  43           HA       ARG  43   1.106  -2.291  -5.460
  338   1HB   ARG  43          1HB       ARG  43   1.593  -1.302  -7.656
  339   2HB   ARG  43          2HB       ARG  43   3.267  -1.058  -7.179
  340   1HG   ARG  43          1HG       ARG  43   3.470  -3.530  -6.901
  341   2HG   ARG  43          2HG       ARG  43   1.852  -3.680  -7.590
  342   1HD   ARG  43          1HD       ARG  43   4.258  -2.453  -8.934
  343   2HD   ARG  43          2HD       ARG  43   3.559  -4.031  -9.292
  344    HE   ARG  43           HE       ARG  43   1.481  -2.364  -9.686
  345   1HH1  ARG  43          1HH1      ARG  43   4.775  -2.331 -10.827
  346   2HH1  ARG  43          2HH1      ARG  43   4.384  -1.547 -12.321
  347   1HH2  ARG  43          1HH2      ARG  43   0.960  -1.333 -11.653
  348   2HH2  ARG  43          2HH2      ARG  43   2.218  -0.977 -12.789
  349    H    THR  44           H        THR  44   1.909  -3.661  -4.021
  350    HA   THR  44           HA       THR  44   4.105  -3.158  -2.368
  351    HB   THR  44           HB       THR  44   3.960  -5.494  -1.674
  352    HG1  THR  44           HG1      THR  44   2.220  -6.735  -2.837
  353   1HG2  THR  44          1HG2      THR  44   1.247  -4.258  -2.160
  354   2HG2  THR  44          2HG2      THR  44   1.597  -5.539  -1.000
  355   3HG2  THR  44          3HG2      THR  44   2.304  -3.939  -0.785
  356    H    LYS  45           H        LYS  45   6.156  -4.210  -2.239
  357    HA   LYS  45           HA       LYS  45   7.355  -4.599  -4.862
  358   1HB   LYS  45          1HB       LYS  45   8.599  -4.367  -2.118
  359   2HB   LYS  45          2HB       LYS  45   9.500  -4.498  -3.622
  360   1HG   LYS  45          1HG       LYS  45   8.635  -2.385  -4.381
  361   2HG   LYS  45          2HG       LYS  45   7.582  -2.270  -2.970
  362   1HD   LYS  45          1HD       LYS  45   9.515  -0.875  -2.623
  363   2HD   LYS  45          2HD       LYS  45   9.599  -2.254  -1.526
  364   1HE   LYS  45          1HE       LYS  45  11.149  -3.372  -3.063
  365   2HE   LYS  45          2HE       LYS  45  11.070  -1.983  -4.147
  366   1HZ   LYS  45          1HZ       LYS  45  12.078  -1.930  -1.353
  367   2HZ   LYS  45          2HZ       LYS  45  13.040  -1.920  -2.744
  368   3HZ   LYS  45          3HZ       LYS  45  12.024  -0.610  -2.410
  369    HA   PRO  46           HA       PRO  46   7.345  -9.026  -4.280
  370   1HB   PRO  46          1HB       PRO  46   8.795  -9.721  -6.441
  371   2HB   PRO  46          2HB       PRO  46   7.132  -9.136  -6.574
  372   1HG   PRO  46          1HG       PRO  46   9.701  -7.668  -7.019
  373   2HG   PRO  46          2HG       PRO  46   8.199  -7.608  -7.960
  374   1HD   PRO  46          1HD       PRO  46   8.909  -5.718  -6.115
  375   2HD   PRO  46          2HD       PRO  46   7.229  -6.093  -6.542
  376    H    THR  47           H        THR  47   8.705 -10.622  -3.501
  377    HA   THR  47           HA       THR  47  11.564 -10.024  -3.312
  378    HB   THR  47           HB       THR  47  10.682  -9.201  -1.214
  379    HG1  THR  47           HG1      THR  47  11.657 -11.515  -0.164
  380   1HG2  THR  47          1HG2      THR  47   9.474 -11.949  -0.883
  381   2HG2  THR  47          2HG2      THR  47   9.507 -10.692   0.353
  382   3HG2  THR  47          3HG2      THR  47   8.590 -10.444  -1.132
  383    H    LYS  48           H        LYS  48  12.856 -11.756  -3.505
  384    HA   LYS  48           HA       LYS  48  13.558 -13.882  -3.857
  385   1HB   LYS  48          1HB       LYS  48  12.317 -14.111  -1.568
  386   2HB   LYS  48          2HB       LYS  48  11.113 -14.977  -2.511
  387   1HG   LYS  48          1HG       LYS  48  14.025 -15.718  -2.512
  388   2HG   LYS  48          2HG       LYS  48  12.863 -16.380  -1.362
  389   1HD   LYS  48          1HD       LYS  48  11.526 -17.249  -3.230
  390   2HD   LYS  48          2HD       LYS  48  12.709 -16.602  -4.369
  391   1HE   LYS  48          1HE       LYS  48  13.256 -18.679  -2.252
  392   2HE   LYS  48          2HE       LYS  48  13.036 -18.999  -3.971
  393   1HZ   LYS  48          1HZ       LYS  48  15.195 -17.332  -2.796
  394   2HZ   LYS  48          2HZ       LYS  48  15.377 -18.918  -3.358
  395   3HZ   LYS  48          3HZ       LYS  48  14.993 -17.675  -4.439
  396    H    SER  49           H        SER  49  10.099 -14.673  -3.877
  397    HA   SER  49           HA       SER  49  10.106 -14.838  -6.784
  398   1HB   SER  49          1HB       SER  49  10.938 -17.040  -6.070
  399   2HB   SER  49          2HB       SER  49   9.519 -17.245  -5.044
  400    HG   SER  49           HG       SER  49   8.255 -17.448  -6.811
  401    H    SER  50           H        SER  50   8.677 -13.609  -4.280
  402    HA   SER  50           HA       SER  50   5.946 -14.447  -4.667
  403   1HB   SER  50          1HB       SER  50   7.096 -12.159  -3.053
  404   2HB   SER  50          2HB       SER  50   5.416 -12.694  -3.007
  405    HG   SER  50           HG       SER  50   6.716 -13.584  -1.312
  406    HA   PRO  51           HA       PRO  51   5.304 -11.745  -8.175
  407   1HB   PRO  51          1HB       PRO  51   2.563 -11.992  -8.181
  408   2HB   PRO  51          2HB       PRO  51   3.671 -13.155  -8.918
  409   1HG   PRO  51          1HG       PRO  51   2.346 -13.250  -6.233
  410   2HG   PRO  51          2HG       PRO  51   2.543 -14.546  -7.430
  411   1HD   PRO  51          1HD       PRO  51   4.135 -14.394  -5.296
  412   2HD   PRO  51          2HD       PRO  51   4.780 -14.873  -6.882
  413    H    SER  52           H        SER  52   4.820  -9.616  -8.415
  414    HA   SER  52           HA       SER  52   4.143  -8.129  -6.034
  415   1HB   SER  52          1HB       SER  52   4.575  -6.138  -7.446
  416   2HB   SER  52          2HB       SER  52   5.909  -7.291  -7.494
  417    HG   SER  52           HG       SER  52   5.649  -7.234  -9.570
  418    H    ARG  53           H        ARG  53   2.198  -7.412  -5.493
  419    HA   ARG  53           HA       ARG  53   0.059  -7.504  -7.513
  420   1HB   ARG  53          1HB       ARG  53  -0.058  -7.753  -4.504
  421   2HB   ARG  53          2HB       ARG  53  -1.479  -7.628  -5.531
  422   1HG   ARG  53          1HG       ARG  53   0.587  -9.807  -5.740
  423   2HG   ARG  53          2HG       ARG  53  -0.934  -9.943  -4.855
  424   1HD   ARG  53          1HD       ARG  53  -0.609  -9.450  -7.813
  425   2HD   ARG  53          2HD       ARG  53  -1.152 -10.945  -7.052
  426    HE   ARG  53           HE       ARG  53  -2.809  -8.779  -6.290
  427   1HH1  ARG  53          1HH1      ARG  53  -2.121 -10.895  -8.974
  428   2HH1  ARG  53          2HH1      ARG  53  -3.712 -10.766  -9.647
  429   1HH2  ARG  53          1HH2      ARG  53  -4.903  -8.604  -7.172
  430   2HH2  ARG  53          2HH2      ARG  53  -5.292  -9.465  -8.624
  431    H    GLN  54           H        GLN  54  -1.420  -5.796  -7.663
  432    HA   GLN  54           HA       GLN  54  -0.599  -3.312  -6.307
  433   1HB   GLN  54          1HB       GLN  54   0.092  -3.157  -8.604
  434   2HB   GLN  54          2HB       GLN  54  -1.478  -3.708  -9.169
  435   1HG   GLN  54          1HG       GLN  54  -1.485  -1.269  -7.519
  436   2HG   GLN  54          2HG       GLN  54  -0.725  -1.135  -9.104
  437   1HE2  GLN  54          1HE2      GLN  54  -3.685  -1.626  -7.374
  438   2HE2  GLN  54          2HE2      GLN  54  -4.746  -1.472  -8.729
  439    H    GLY  55           H        GLY  55  -2.128  -2.325  -5.180
  440   1HA   GLY  55          1HA       GLY  55  -4.507  -3.220  -4.402
  441   2HA   GLY  55          2HA       GLY  55  -4.926  -2.537  -5.965
  442    H    TRP  56           H        TRP  56  -6.284  -0.984  -5.004
  443    HA   TRP  56           HA       TRP  56  -4.926   1.423  -4.218
  444   1HB   TRP  56          1HB       TRP  56  -7.882   0.793  -4.374
  445   2HB   TRP  56          2HB       TRP  56  -7.199   2.395  -4.121
  446    HD1  TRP  56           HD1      TRP  56  -7.537  -0.310  -6.832
  447    HE1  TRP  56           HE1      TRP  56  -7.185   0.798  -9.129
  448    HE3  TRP  56           HE3      TRP  56  -6.153   4.360  -5.277
  449    HZ2  TRP  56           HZ2      TRP  56  -6.422   3.320 -10.146
  450    HZ3  TRP  56           HZ3      TRP  56  -5.630   6.062  -6.974
  451    HH2  TRP  56           HH2      TRP  56  -5.762   5.552  -9.358
  452    H    VAL  57           H        VAL  57  -4.743   2.305  -2.218
  453    HA   VAL  57           HA       VAL  57  -6.102   0.948   0.012
  454    HB   VAL  57           HB       VAL  57  -4.107   1.117   1.391
  455   1HG1  VAL  57          1HG1      VAL  57  -4.444  -0.933   0.124
  456   2HG1  VAL  57          2HG1      VAL  57  -3.562  -0.251  -1.242
  457   3HG1  VAL  57          3HG1      VAL  57  -2.724  -0.573   0.275
  458   1HG2  VAL  57          1HG2      VAL  57  -2.762   2.199  -1.084
  459   2HG2  VAL  57          2HG2      VAL  57  -3.093   3.089   0.401
  460   3HG2  VAL  57          3HG2      VAL  57  -1.942   1.754   0.412
  461    H    SER  58           H        SER  58  -6.038   2.270   2.049
  462    HA   SER  58           HA       SER  58  -6.700   5.028   1.383
  463   1HB   SER  58          1HB       SER  58  -7.086   3.472   3.951
  464   2HB   SER  58          2HB       SER  58  -7.667   5.111   3.656
  465    HG   SER  58           HG       SER  58  -8.452   3.466   1.675
  466    HA   PRO  59           HA       PRO  59  -2.662   6.251   2.943
  467   1HB   PRO  59          1HB       PRO  59  -2.920   8.905   2.494
  468   2HB   PRO  59          2HB       PRO  59  -2.599   7.748   1.197
  469   1HG   PRO  59          1HG       PRO  59  -5.192   9.000   2.018
  470   2HG   PRO  59          2HG       PRO  59  -4.541   8.742   0.389
  471   1HD   PRO  59          1HD       PRO  59  -6.402   7.114   1.504
  472   2HD   PRO  59          2HD       PRO  59  -5.192   6.536   0.342
  473    H    ALA  60           H        ALA  60  -5.686   6.828   4.269
  474    HA   ALA  60           HA       ALA  60  -4.950   8.728   6.281
  475   1HB   ALA  60          1HB       ALA  60  -7.266   8.477   5.490
  476   2HB   ALA  60          2HB       ALA  60  -7.322   6.866   6.207
  477   3HB   ALA  60          3HB       ALA  60  -7.131   8.285   7.238
  478    H    TYR  61           H        TYR  61  -4.135   5.552   5.841
  479    HA   TYR  61           HA       TYR  61  -3.638   5.195   8.720
  480   1HB   TYR  61          1HB       TYR  61  -4.421   3.040   6.745
  481   2HB   TYR  61          2HB       TYR  61  -3.976   2.767   8.427
  482    HD1  TYR  61           HD1      TYR  61  -5.423   3.921  10.220
  483    HD2  TYR  61           HD2      TYR  61  -6.644   3.448   6.173
  484    HE1  TYR  61           HE1      TYR  61  -7.765   4.247  10.896
  485    HE2  TYR  61           HE2      TYR  61  -8.990   3.772   6.836
  486    HH   TYR  61           HH       TYR  61 -10.385   3.563   8.841
  487    H    LEU  62           H        LEU  62  -2.200   5.888   5.963
  488    HA   LEU  62           HA       LEU  62   0.119   4.131   6.404
  489   1HB   LEU  62          1HB       LEU  62  -1.054   5.397   3.996
  490   2HB   LEU  62          2HB       LEU  62   0.695   5.322   4.064
  491    HG   LEU  62           HG       LEU  62   0.648   2.912   4.227
  492   1HD1  LEU  62          1HD1      LEU  62  -2.359   3.196   4.248
  493   2HD1  LEU  62          2HD1      LEU  62  -1.475   1.668   4.090
  494   3HD1  LEU  62          3HD1      LEU  62  -1.341   2.620   5.580
  495   1HD2  LEU  62          1HD2      LEU  62   0.560   3.890   1.993
  496   2HD2  LEU  62          2HD2      LEU  62  -0.327   2.366   2.054
  497   3HD2  LEU  62          3HD2      LEU  62  -1.202   3.897   2.057
  498    H    ASP  63           H        ASP  63   1.992   4.963   7.080
  499    HA   ASP  63           HA       ASP  63   2.170   7.888   7.339
  500   1HB   ASP  63          1HB       ASP  63   3.546   5.717   8.937
  501   2HB   ASP  63          2HB       ASP  63   3.785   7.446   9.168
  502    H    ARG  64           H        ARG  64   4.057   8.961   6.766
  503    HA   ARG  64           HA       ARG  64   5.446   7.969   4.533
  504   1HB   ARG  64          1HB       ARG  64   6.152  10.251   6.387
  505   2HB   ARG  64          2HB       ARG  64   6.904   9.956   4.826
  506   1HG   ARG  64          1HG       ARG  64   4.817  10.349   3.691
  507   2HG   ARG  64          2HG       ARG  64   3.971  10.502   5.233
  508   1HD   ARG  64          1HD       ARG  64   6.183  12.311   4.266
  509   2HD   ARG  64          2HD       ARG  64   4.461  12.686   4.206
  510    HE   ARG  64           HE       ARG  64   4.871  12.143   6.819
  511   1HH1  ARG  64          1HH1      ARG  64   6.474  14.250   4.552
  512   2HH1  ARG  64          2HH1      ARG  64   6.925  15.412   5.755
  513   1HH2  ARG  64          1HH2      ARG  64   5.460  13.668   8.408
  514   2HH2  ARG  64          2HH2      ARG  64   6.349  15.081   7.947
  515    H    ARG  65           H        ARG  65   7.165   6.687   4.357
  516    HA   ARG  65           HA       ARG  65   9.065   6.495   6.572
  517   1HB   ARG  65          1HB       ARG  65   7.294   4.681   6.758
  518   2HB   ARG  65          2HB       ARG  65   7.944   4.020   5.264
  519   1HG   ARG  65          1HG       ARG  65  10.098   3.678   6.316
  520   2HG   ARG  65          2HG       ARG  65   9.508   4.417   7.806
  521   1HD   ARG  65          1HD       ARG  65   7.756   2.628   7.891
  522   2HD   ARG  65          2HD       ARG  65   8.575   1.847   6.540
  523    HE   ARG  65           HE       ARG  65  10.559   2.122   8.334
  524   1HH1  ARG  65          1HH1      ARG  65   7.323   0.854   8.588
  525   2HH1  ARG  65          2HH1      ARG  65   7.724  -0.272   9.841
  526   1HH2  ARG  65          1HH2      ARG  65  11.095   0.642   9.987
  527   2HH2  ARG  65          2HH2      ARG  65   9.867  -0.392  10.636
  528    H    LEU  66           H        LEU  66  11.141   6.230   5.931
  529    HA   LEU  66           HA       LEU  66  11.601   5.975   3.037
  530   1HB   LEU  66          1HB       LEU  66  13.782   7.102   3.503
  531   2HB   LEU  66          2HB       LEU  66  12.364   8.090   3.795
  532    HG   LEU  66           HG       LEU  66  12.700   7.208   6.277
  533   1HD1  LEU  66          1HD1      LEU  66  15.464   7.083   5.083
  534   2HD1  LEU  66          2HD1      LEU  66  15.109   7.111   6.810
  535   3HD1  LEU  66          3HD1      LEU  66  14.568   5.756   5.821
  536   1HD2  LEU  66          1HD2      LEU  66  14.316   9.419   5.014
  537   2HD2  LEU  66          2HD2      LEU  66  12.654   9.541   5.591
  538   3HD2  LEU  66          3HD2      LEU  66  13.965   9.253   6.735
  539    H    LYS  67           H        LYS  67  13.156   4.593   2.248
  540    HA   LYS  67           HA       LYS  67  13.840   2.381   4.000
  541   1HB   LYS  67          1HB       LYS  67  14.488   1.201   1.980
  542   2HB   LYS  67          2HB       LYS  67  12.902   1.925   1.762
  543   1HG   LYS  67          1HG       LYS  67  15.360   3.345   0.817
  544   2HG   LYS  67          2HG       LYS  67  14.633   2.060  -0.147
  545   1HD   LYS  67          1HD       LYS  67  12.489   3.286  -0.108
  546   2HD   LYS  67          2HD       LYS  67  13.274   4.589   0.785
  547   1HE   LYS  67          1HE       LYS  67  14.849   4.883  -1.096
  548   2HE   LYS  67          2HE       LYS  67  13.974   3.641  -1.991
  549   1HZ   LYS  67          1HZ       LYS  67  12.822   6.208  -1.039
  550   2HZ   LYS  67          2HZ       LYS  67  13.280   5.868  -2.632
  551   3HZ   LYS  67          3HZ       LYS  67  11.999   5.023  -1.921
  552    H    LEU  68           H        LEU  68  16.039   1.421   3.860
  553    HA   LEU  68           HA       LEU  68  18.010   3.479   4.328
  554   1HB   LEU  68          1HB       LEU  68  17.648   1.263   5.633
  555   2HB   LEU  68          2HB       LEU  68  18.564   0.529   4.331
  556    HG   LEU  68           HG       LEU  68  19.637   2.829   5.956
  557   1HD1  LEU  68          1HD1      LEU  68  19.989  -0.126   6.442
  558   2HD1  LEU  68          2HD1      LEU  68  20.875   1.162   7.257
  559   3HD1  LEU  68          3HD1      LEU  68  19.133   1.011   7.485
  560   1HD2  LEU  68          1HD2      LEU  68  20.950   0.748   4.209
  561   2HD2  LEU  68          2HD2      LEU  68  20.742   2.458   3.829
  562   3HD2  LEU  68          3HD2      LEU  68  21.798   1.972   5.155

  No H/Q in entry =         562
  Start of MODEL    2
    1    H1   ILE   1           H1       ILE   1  12.686   7.943  -4.455
    2    H2   ILE   1           H2       ILE   1  12.663   6.511  -5.356
    3    H3   ILE   1           H3       ILE   1  13.674   7.785  -5.819
    4    HA   ILE   1           HA       ILE   1  11.787   9.171  -6.322
    5    HB   ILE   1           HB       ILE   1  11.575   6.458  -7.639
    6   1HG1  ILE   1          1HG1      ILE   1  13.222   8.870  -8.436
    7   2HG1  ILE   1          2HG1      ILE   1  13.868   7.433  -7.650
    8   1HG2  ILE   1          1HG2      ILE   1   9.659   7.885  -8.119
    9   2HG2  ILE   1          2HG2      ILE   1  10.739   9.189  -8.610
   10   3HG2  ILE   1          3HG2      ILE   1  10.673   7.699  -9.551
   11   1HD1  ILE   1          1HD1      ILE   1  13.189   6.089  -9.578
   12   2HD1  ILE   1          2HD1      ILE   1  12.570   7.541 -10.363
   13   3HD1  ILE   1          3HD1      ILE   1  14.295   7.386 -10.030
   14    H    PHE   2           H        PHE   2  10.664   5.832  -5.731
   15    HA   PHE   2           HA       PHE   2   7.955   6.719  -5.339
   16   1HB   PHE   2          1HB       PHE   2   9.194   3.998  -4.872
   17   2HB   PHE   2          2HB       PHE   2   7.470   4.354  -4.910
   18    HD1  PHE   2           HD1      PHE   2   6.466   5.213  -7.063
   19    HD2  PHE   2           HD2      PHE   2  10.374   3.543  -6.838
   20    HE1  PHE   2           HE1      PHE   2   6.442   4.841  -9.494
   21    HE2  PHE   2           HE2      PHE   2  10.357   3.168  -9.269
   22    HZ   PHE   2           HZ       PHE   2   8.390   3.817 -10.601
   23    H    ASP   3           H        ASP   3   6.731   6.037  -3.348
   24    HA   ASP   3           HA       ASP   3   8.392   6.434  -0.946
   25   1HB   ASP   3          1HB       ASP   3   6.997   8.426  -1.595
   26   2HB   ASP   3          2HB       ASP   3   5.566   7.440  -1.307
   27    H    ILE   4           H        ILE   4   8.436   4.588   0.149
   28    HA   ILE   4           HA       ILE   4   6.254   2.706   0.056
   29    HB   ILE   4           HB       ILE   4   8.768   2.579   1.722
   30   1HG1  ILE   4          1HG1      ILE   4   8.278   1.362  -1.004
   31   2HG1  ILE   4          2HG1      ILE   4   9.198   2.839  -0.737
   32   1HG2  ILE   4          1HG2      ILE   4   6.986   1.072   2.437
   33   2HG2  ILE   4          2HG2      ILE   4   6.873   0.423   0.801
   34   3HG2  ILE   4          3HG2      ILE   4   8.340   0.178   1.747
   35   1HD1  ILE   4          1HD1      ILE   4   9.889   0.120   0.353
   36   2HD1  ILE   4          2HD1      ILE   4  10.649   0.909  -1.031
   37   3HD1  ILE   4          3HD1      ILE   4  10.821   1.601   0.582
   38    H    TYR   5           H        TYR   5   4.797   2.287   1.615
   39    HA   TYR   5           HA       TYR   5   4.892   3.935   4.055
   40   1HB   TYR   5          1HB       TYR   5   2.502   2.880   2.534
   41   2HB   TYR   5          2HB       TYR   5   2.411   3.723   4.077
   42    HD1  TYR   5           HD1      TYR   5   2.832   6.119   4.214
   43    HD2  TYR   5           HD2      TYR   5   2.993   4.078   0.484
   44    HE1  TYR   5           HE1      TYR   5   2.738   8.275   3.035
   45    HE2  TYR   5           HE2      TYR   5   2.901   6.228  -0.704
   46    HH   TYR   5           HH       TYR   5   2.123   8.532  -0.284
   47    H    VAL   6           H        VAL   6   3.884   2.977   5.975
   48    HA   VAL   6           HA       VAL   6   4.038   0.037   5.977
   49    HB   VAL   6           HB       VAL   6   6.053   0.904   7.021
   50   1HG1  VAL   6          1HG1      VAL   6   4.195   2.370   8.888
   51   2HG1  VAL   6          2HG1      VAL   6   5.945   2.252   9.071
   52   3HG1  VAL   6          3HG1      VAL   6   5.258   3.097   7.684
   53   1HG2  VAL   6          1HG2      VAL   6   5.085  -1.145   7.924
   54   2HG2  VAL   6          2HG2      VAL   6   5.882  -0.212   9.190
   55   3HG2  VAL   6          3HG2      VAL   6   4.123  -0.199   9.060
   56    H    VAL   7           H        VAL   7   2.435  -1.028   6.997
   57    HA   VAL   7           HA       VAL   7   0.192   0.533   7.984
   58    HB   VAL   7           HB       VAL   7   0.408  -2.470   7.731
   59   1HG1  VAL   7          1HG1      VAL   7  -1.977  -0.637   7.961
   60   2HG1  VAL   7          2HG1      VAL   7  -2.049  -2.379   7.690
   61   3HG1  VAL   7          3HG1      VAL   7  -1.385  -1.747   9.197
   62   1HG2  VAL   7          1HG2      VAL   7  -0.649  -0.460   5.746
   63   2HG2  VAL   7          2HG2      VAL   7   0.803  -1.443   5.566
   64   3HG2  VAL   7          3HG2      VAL   7  -0.783  -2.212   5.599
   65    H    THR   8           H        THR   8  -0.219   0.888  10.067
   66    HA   THR   8           HA       THR   8   0.979  -0.907  12.070
   67    HB   THR   8           HB       THR   8   1.348   1.062  13.540
   68    HG1  THR   8           HG1      THR   8  -0.195   2.388  12.206
   69   1HG2  THR   8          1HG2      THR   8   2.759   1.164  10.871
   70   2HG2  THR   8          2HG2      THR   8   3.333   1.916  12.358
   71   3HG2  THR   8          3HG2      THR   8   3.208   0.160  12.249
   72    H    ALA   9           H        ALA   9  -1.787  -0.423  10.828
   73    HA   ALA   9           HA       ALA   9  -3.218  -0.351  13.393
   74   1HB   ALA   9          1HB       ALA   9  -3.444   1.849  12.304
   75   2HB   ALA   9          2HB       ALA   9  -4.986   1.006  12.460
   76   3HB   ALA   9          3HB       ALA   9  -4.162   1.058  10.901
   77    H    ASP  10           H        ASP  10  -2.395  -2.229  10.957
   78    HA   ASP  10           HA       ASP  10  -3.216  -4.104   9.967
   79   1HB   ASP  10          1HB       ASP  10  -3.620  -4.828  12.250
   80   2HB   ASP  10          2HB       ASP  10  -5.149  -3.954  12.293
   81    H    TYR  11           H        TYR  11  -3.890  -3.152   8.043
   82    HA   TYR  11           HA       TYR  11  -6.705  -2.332   7.881
   83   1HB   TYR  11          1HB       TYR  11  -4.912  -0.763   7.069
   84   2HB   TYR  11          2HB       TYR  11  -4.541  -1.933   5.808
   85    HD1  TYR  11           HD1      TYR  11  -6.100  -2.309   3.961
   86    HD2  TYR  11           HD2      TYR  11  -6.919   0.578   6.977
   87    HE1  TYR  11           HE1      TYR  11  -7.835  -1.315   2.529
   88    HE2  TYR  11           HE2      TYR  11  -8.656   1.579   5.555
   89    HH   TYR  11           HH       TYR  11  -9.870   0.057   2.785
   90    H    LEU  12           H        LEU  12  -7.843  -4.198   7.622
   91    HA   LEU  12           HA       LEU  12  -7.105  -5.888   5.327
   92   1HB   LEU  12          1HB       LEU  12  -8.199  -7.753   6.444
   93   2HB   LEU  12          2HB       LEU  12  -6.915  -7.090   7.435
   94    HG   LEU  12           HG       LEU  12  -8.960  -5.726   8.481
   95   1HD1  LEU  12          1HD1      LEU  12 -10.619  -6.707   6.977
   96   2HD1  LEU  12          2HD1      LEU  12 -10.195  -8.317   7.558
   97   3HD1  LEU  12          3HD1      LEU  12 -10.930  -7.149   8.656
   98   1HD2  LEU  12          1HD2      LEU  12  -7.363  -7.165   9.672
   99   2HD2  LEU  12          2HD2      LEU  12  -9.013  -7.372  10.258
  100   3HD2  LEU  12          3HD2      LEU  12  -8.298  -8.581   9.190
  101    HA   PRO  13           HA       PRO  13 -10.862  -4.662   3.326
  102   1HB   PRO  13          1HB       PRO  13 -11.008  -7.472   2.378
  103   2HB   PRO  13          2HB       PRO  13 -11.003  -5.970   1.450
  104   1HG   PRO  13          1HG       PRO  13  -8.847  -7.528   1.516
  105   2HG   PRO  13          2HG       PRO  13  -8.691  -5.761   1.554
  106   1HD   PRO  13          1HD       PRO  13  -8.460  -7.735   3.795
  107   2HD   PRO  13          2HD       PRO  13  -7.497  -6.279   3.472
  108    H    LEU  14           H        LEU  14 -12.711  -4.410   4.410
  109    HA   LEU  14           HA       LEU  14 -13.714  -6.485   6.150
  110   1HB   LEU  14          1HB       LEU  14 -14.879  -3.793   5.424
  111   2HB   LEU  14          2HB       LEU  14 -15.498  -4.859   6.671
  112    HG   LEU  14           HG       LEU  14 -12.748  -3.613   6.707
  113   1HD1  LEU  14          1HD1      LEU  14 -14.481  -1.912   6.904
  114   2HD1  LEU  14          2HD1      LEU  14 -15.247  -2.832   8.200
  115   3HD1  LEU  14          3HD1      LEU  14 -13.641  -2.142   8.439
  116   1HD2  LEU  14          1HD2      LEU  14 -14.294  -5.137   8.802
  117   2HD2  LEU  14          2HD2      LEU  14 -12.867  -5.707   7.936
  118   3HD2  LEU  14          3HD2      LEU  14 -12.738  -4.345   9.049
  119    H    GLY  15           H        GLY  15 -14.398  -8.187   4.915
  120   1HA   GLY  15          1HA       GLY  15 -16.920  -7.798   3.519
  121   2HA   GLY  15          2HA       GLY  15 -16.181  -9.339   3.931
  122    H    ALA  16           H        ALA  16 -17.074  -7.510   1.406
  123    HA   ALA  16           HA       ALA  16 -14.840  -8.403  -0.293
  124   1HB   ALA  16          1HB       ALA  16 -16.416  -9.049  -2.025
  125   2HB   ALA  16          2HB       ALA  16 -17.768  -8.571  -0.997
  126   3HB   ALA  16          3HB       ALA  16 -16.744  -9.931  -0.534
  127    H    GLU  17           H        GLU  17 -13.875  -6.506  -0.752
  128    HA   GLU  17           HA       GLU  17 -15.561  -4.303  -1.737
  129   1HB   GLU  17          1HB       GLU  17 -12.779  -4.261  -0.556
  130   2HB   GLU  17          2HB       GLU  17 -13.576  -2.857  -1.252
  131   1HG   GLU  17          1HG       GLU  17 -15.343  -3.026   0.423
  132   2HG   GLU  17          2HG       GLU  17 -14.546  -4.435   1.122
  133    H    GLN  18           H        GLN  18 -14.866  -3.120  -3.591
  134    HA   GLN  18           HA       GLN  18 -13.433  -4.805  -5.504
  135   1HB   GLN  18          1HB       GLN  18 -15.088  -2.310  -5.927
  136   2HB   GLN  18          2HB       GLN  18 -14.347  -3.260  -7.208
  137   1HG   GLN  18          1HG       GLN  18 -15.714  -5.186  -6.551
  138   2HG   GLN  18          2HG       GLN  18 -16.476  -4.204  -5.301
  139   1HE2  GLN  18          1HE2      GLN  18 -17.868  -2.528  -5.908
  140   2HE2  GLN  18          2HE2      GLN  18 -18.591  -2.473  -7.476
  141    H    ASP  19           H        ASP  19 -11.655  -4.123  -6.666
  142    HA   ASP  19           HA       ASP  19  -9.670  -3.079  -7.029
  143   1HB   ASP  19          1HB       ASP  19 -11.267  -0.632  -6.245
  144   2HB   ASP  19          2HB       ASP  19  -9.678  -0.598  -7.004
  145    H    ALA  20           H        ALA  20 -10.497  -3.981  -4.260
  146    HA   ALA  20           HA       ALA  20  -8.641  -2.330  -2.682
  147   1HB   ALA  20          1HB       ALA  20 -10.921  -2.488  -1.791
  148   2HB   ALA  20          2HB       ALA  20 -10.757  -4.242  -1.704
  149   3HB   ALA  20          3HB       ALA  20  -9.737  -3.211  -0.701
  150    H    ILE  21           H        ILE  21  -7.035  -3.306  -1.429
  151    HA   ILE  21           HA       ILE  21  -6.437  -6.110  -2.115
  152    HB   ILE  21           HB       ILE  21  -4.891  -4.561  -3.243
  153   1HG1  ILE  21          1HG1      ILE  21  -3.532  -6.071  -0.999
  154   2HG1  ILE  21          2HG1      ILE  21  -4.145  -6.816  -2.472
  155   1HG2  ILE  21          1HG2      ILE  21  -4.985  -2.723  -1.654
  156   2HG2  ILE  21          2HG2      ILE  21  -4.138  -3.699  -0.454
  157   3HG2  ILE  21          3HG2      ILE  21  -3.316  -3.219  -1.938
  158   1HD1  ILE  21          1HD1      ILE  21  -2.597  -5.379  -3.771
  159   2HD1  ILE  21          2HD1      ILE  21  -1.924  -4.802  -2.247
  160   3HD1  ILE  21          3HD1      ILE  21  -1.787  -6.506  -2.681
  161    H    THR  22           H        THR  22  -5.517  -7.403  -0.500
  162    HA   THR  22           HA       THR  22  -6.208  -6.599   2.190
  163    HB   THR  22           HB       THR  22  -4.989  -9.200   1.239
  164    HG1  THR  22           HG1      THR  22  -7.510  -9.517   1.914
  165   1HG2  THR  22          1HG2      THR  22  -6.402  -8.483   3.814
  166   2HG2  THR  22          2HG2      THR  22  -5.857 -10.097   3.355
  167   3HG2  THR  22          3HG2      THR  22  -4.679  -8.814   3.633
  168    H    LEU  23           H        LEU  23  -4.847  -5.510   3.427
  169    HA   LEU  23           HA       LEU  23  -1.956  -5.939   3.082
  170   1HB   LEU  23          1HB       LEU  23  -3.520  -3.565   4.075
  171   2HB   LEU  23          2HB       LEU  23  -1.792  -3.721   4.332
  172    HG   LEU  23           HG       LEU  23  -3.103  -3.698   1.612
  173   1HD1  LEU  23          1HD1      LEU  23  -1.728  -1.489   3.133
  174   2HD1  LEU  23          2HD1      LEU  23  -2.182  -1.417   1.430
  175   3HD1  LEU  23          3HD1      LEU  23  -3.429  -1.554   2.671
  176   1HD2  LEU  23          1HD2      LEU  23  -0.956  -4.870   1.695
  177   2HD2  LEU  23          2HD2      LEU  23  -0.830  -3.357   0.796
  178   3HD2  LEU  23          3HD2      LEU  23  -0.213  -3.457   2.445
  179    H    ARG  24           H        ARG  24  -0.627  -5.990   4.980
  180    HA   ARG  24           HA       ARG  24  -2.080  -6.896   7.380
  181   1HB   ARG  24          1HB       ARG  24   0.646  -7.809   6.444
  182   2HB   ARG  24          2HB       ARG  24  -0.238  -8.416   7.837
  183   1HG   ARG  24          1HG       ARG  24  -1.939  -9.351   6.397
  184   2HG   ARG  24          2HG       ARG  24  -1.147  -8.665   4.977
  185   1HD   ARG  24          1HD       ARG  24   0.855 -10.029   5.492
  186   2HD   ARG  24          2HD       ARG  24  -0.027 -10.767   6.829
  187    HE   ARG  24           HE       ARG  24  -1.570 -11.102   4.544
  188   1HH1  ARG  24          1HH1      ARG  24   1.550 -12.106   5.736
  189   2HH1  ARG  24          2HH1      ARG  24   1.554 -13.592   4.845
  190   1HH2  ARG  24          1HH2      ARG  24  -1.569 -13.056   3.369
  191   2HH2  ARG  24          2HH2      ARG  24  -0.217 -14.131   3.501
  192    H    GLU  25           H        GLU  25  -1.373  -6.191   9.377
  193    HA   GLU  25           HA       GLU  25  -0.158  -3.665   9.505
  194   1HB   GLU  25          1HB       GLU  25  -1.663  -4.393  11.245
  195   2HB   GLU  25          2HB       GLU  25  -0.612  -5.737  11.656
  196   1HG   GLU  25          1HG       GLU  25   1.101  -4.170  12.411
  197   2HG   GLU  25          2HG       GLU  25   0.051  -2.818  11.989
  198    H    GLY  26           H        GLY  26   1.859  -3.423   8.740
  199   1HA   GLY  26          1HA       GLY  26   3.958  -5.149   9.906
  200   2HA   GLY  26          2HA       GLY  26   4.169  -3.425   9.641
  201    H    GLN  27           H        GLN  27   2.554  -3.912   7.043
  202    HA   GLN  27           HA       GLN  27   4.635  -5.210   5.457
  203   1HB   GLN  27          1HB       GLN  27   1.756  -5.001   5.334
  204   2HB   GLN  27          2HB       GLN  27   2.479  -4.495   3.821
  205   1HG   GLN  27          1HG       GLN  27   2.824  -7.132   5.217
  206   2HG   GLN  27          2HG       GLN  27   1.965  -6.831   3.710
  207   1HE2  GLN  27          1HE2      GLN  27   3.999  -5.005   2.689
  208   2HE2  GLN  27          2HE2      GLN  27   5.342  -5.988   2.231
  209    H    TYR  28           H        TYR  28   5.664  -4.176   3.768
  210    HA   TYR  28           HA       TYR  28   5.380  -1.247   3.722
  211   1HB   TYR  28          1HB       TYR  28   7.760  -2.885   2.837
  212   2HB   TYR  28          2HB       TYR  28   7.686  -1.137   3.001
  213    HD1  TYR  28           HD1      TYR  28   7.401  -0.145   5.306
  214    HD2  TYR  28           HD2      TYR  28   8.327  -4.249   4.677
  215    HE1  TYR  28           HE1      TYR  28   8.181  -0.318   7.631
  216    HE2  TYR  28           HE2      TYR  28   9.109  -4.435   7.002
  217    HH   TYR  28           HH       TYR  28   9.957  -2.971   8.784
  218    H    VAL  29           H        VAL  29   5.063  -0.177   1.809
  219    HA   VAL  29           HA       VAL  29   5.291  -1.531  -0.722
  220    HB   VAL  29           HB       VAL  29   3.183  -2.453  -0.215
  221   1HG1  VAL  29          1HG1      VAL  29   2.657  -1.071   1.725
  222   2HG1  VAL  29          2HG1      VAL  29   2.294   0.293   0.667
  223   3HG1  VAL  29          3HG1      VAL  29   1.286  -1.154   0.620
  224   1HG2  VAL  29          1HG2      VAL  29   3.399  -1.331  -2.449
  225   2HG2  VAL  29          2HG2      VAL  29   1.745  -1.556  -1.886
  226   3HG2  VAL  29          3HG2      VAL  29   2.505   0.031  -1.778
  227    H    GLU  30           H        GLU  30   5.999  -0.079  -2.122
  228    HA   GLU  30           HA       GLU  30   5.870   2.729  -1.627
  229   1HB   GLU  30          1HB       GLU  30   7.008   2.909  -3.831
  230   2HB   GLU  30          2HB       GLU  30   7.817   1.819  -2.716
  231   1HG   GLU  30          1HG       GLU  30   6.786  -0.092  -3.858
  232   2HG   GLU  30          2HG       GLU  30   6.021   1.018  -4.993
  233    H    VAL  31           H        VAL  31   4.910   4.326  -2.977
  234    HA   VAL  31           HA       VAL  31   2.332   3.481  -4.046
  235    HB   VAL  31           HB       VAL  31   2.434   5.379  -2.457
  236   1HG1  VAL  31          1HG1      VAL  31   4.578   6.315  -3.118
  237   2HG1  VAL  31          2HG1      VAL  31   3.908   6.783  -4.681
  238   3HG1  VAL  31          3HG1      VAL  31   3.311   7.539  -3.205
  239   1HG2  VAL  31          1HG2      VAL  31   1.482   6.093  -5.231
  240   2HG2  VAL  31          2HG2      VAL  31   0.569   5.210  -4.007
  241   3HG2  VAL  31          3HG2      VAL  31   0.993   6.901  -3.742
  242    H    LEU  32           H        LEU  32   1.665   3.800  -6.140
  243    HA   LEU  32           HA       LEU  32   3.786   4.467  -8.064
  244   1HB   LEU  32          1HB       LEU  32   1.292   2.798  -8.316
  245   2HB   LEU  32          2HB       LEU  32   2.229   3.305  -9.707
  246    HG   LEU  32           HG       LEU  32   3.254   1.584  -7.448
  247   1HD1  LEU  32          1HD1      LEU  32   2.470   0.894 -10.275
  248   2HD1  LEU  32          2HD1      LEU  32   3.268  -0.198  -9.143
  249   3HD1  LEU  32          3HD1      LEU  32   1.642   0.393  -8.801
  250   1HD2  LEU  32          1HD2      LEU  32   4.546   2.419 -10.043
  251   2HD2  LEU  32          2HD2      LEU  32   5.015   2.950  -8.428
  252   3HD2  LEU  32          3HD2      LEU  32   5.210   1.260  -8.892
  253    H    ASP  33           H        ASP  33   0.225   4.593  -8.146
  254    HA   ASP  33           HA       ASP  33   0.449   7.311  -9.264
  255   1HB   ASP  33          1HB       ASP  33  -0.465   5.521 -10.791
  256   2HB   ASP  33          2HB       ASP  33  -1.833   5.377  -9.693
  257    H    ALA  34           H        ALA  34  -1.531   8.673  -8.866
  258    HA   ALA  34           HA       ALA  34  -2.439   8.278  -6.094
  259   1HB   ALA  34          1HB       ALA  34  -1.069  10.276  -6.419
  260   2HB   ALA  34          2HB       ALA  34  -2.192  10.849  -7.653
  261   3HB   ALA  34          3HB       ALA  34  -2.723  10.700  -5.978
  262    H    ALA  35           H        ALA  35  -3.551   9.925  -9.055
  263    HA   ALA  35           HA       ALA  35  -5.592  10.127 -10.027
  264   1HB   ALA  35          1HB       ALA  35  -5.382   7.681 -10.201
  265   2HB   ALA  35          2HB       ALA  35  -6.197   7.516  -8.647
  266   3HB   ALA  35          3HB       ALA  35  -7.058   8.202 -10.025
  267    H    HIS  36           H        HIS  36  -6.945   8.387  -7.287
  268    HA   HIS  36           HA       HIS  36  -8.655  10.658  -6.711
  269   1HB   HIS  36          1HB       HIS  36  -8.596   7.912  -5.445
  270   2HB   HIS  36          2HB       HIS  36  -9.854   9.124  -5.232
  271    HD1  HIS  36           HD1      HIS  36  -9.496   6.111  -6.862
  272    HD2  HIS  36           HD2      HIS  36 -10.729   9.857  -8.173
  273    HE1  HIS  36           HE1      HIS  36 -10.845   5.684  -8.941
  274    HE2  HIS  36           HE2      HIS  36 -11.614   7.962  -9.696
  275    HA   PRO  37           HA       PRO  37  -5.818  12.271  -3.609
  276   1HB   PRO  37          1HB       PRO  37  -8.414  13.455  -2.702
  277   2HB   PRO  37          2HB       PRO  37  -6.851  14.234  -2.914
  278   1HG   PRO  37          1HG       PRO  37  -8.681  14.611  -4.691
  279   2HG   PRO  37          2HG       PRO  37  -7.027  14.286  -5.222
  280   1HD   PRO  37          1HD       PRO  37  -9.396  12.452  -5.195
  281   2HD   PRO  37          2HD       PRO  37  -8.111  12.615  -6.413
  282    H    LEU  38           H        LEU  38  -8.878  10.688  -2.927
  283    HA   LEU  38           HA       LEU  38  -8.433  10.373  -0.127
  284   1HB   LEU  38          1HB       LEU  38 -10.668  10.331  -1.262
  285   2HB   LEU  38          2HB       LEU  38 -10.249   8.760  -1.916
  286    HG   LEU  38           HG       LEU  38 -10.145   9.138   1.042
  287   1HD1  LEU  38          1HD1      LEU  38 -12.275  10.139   0.408
  288   2HD1  LEU  38          2HD1      LEU  38 -12.678   8.706  -0.538
  289   3HD1  LEU  38          3HD1      LEU  38 -12.522   8.590   1.215
  290   1HD2  LEU  38          1HD2      LEU  38 -10.890   6.855  -0.783
  291   2HD2  LEU  38          2HD2      LEU  38  -9.385   7.038   0.118
  292   3HD2  LEU  38          3HD2      LEU  38 -10.903   6.787   0.979
  293    H    ARG  39           H        ARG  39  -8.533   7.928  -2.726
  294    HA   ARG  39           HA       ARG  39  -6.586   6.346  -1.182
  295   1HB   ARG  39          1HB       ARG  39  -7.503   4.377  -2.412
  296   2HB   ARG  39          2HB       ARG  39  -8.671   5.166  -1.360
  297   1HG   ARG  39          1HG       ARG  39  -9.633   6.312  -3.302
  298   2HG   ARG  39          2HG       ARG  39  -8.477   5.487  -4.349
  299   1HD   ARG  39          1HD       ARG  39 -10.626   4.355  -4.391
  300   2HD   ARG  39          2HD       ARG  39  -9.399   3.327  -3.653
  301    HE   ARG  39           HE       ARG  39 -10.978   4.890  -1.800
  302   1HH1  ARG  39          1HH1      ARG  39 -10.607   1.862  -3.483
  303   2HH1  ARG  39          2HH1      ARG  39 -11.589   0.973  -2.367
  304   1HH2  ARG  39          1HH2      ARG  39 -12.272   3.728  -0.324
  305   2HH2  ARG  39          2HH2      ARG  39 -12.535   2.034  -0.572
  306    H    TRP  40           H        TRP  40  -4.667   5.908  -2.074
  307    HA   TRP  40           HA       TRP  40  -4.244   6.703  -4.873
  308   1HB   TRP  40          1HB       TRP  40  -2.249   6.385  -2.621
  309   2HB   TRP  40          2HB       TRP  40  -1.848   6.860  -4.267
  310    HD1  TRP  40           HD1      TRP  40  -4.391   8.928  -4.534
  311    HE1  TRP  40           HE1      TRP  40  -4.190  11.208  -3.359
  312    HE3  TRP  40           HE3      TRP  40  -0.741   7.777  -1.145
  313    HZ2  TRP  40           HZ2      TRP  40  -2.680  12.368  -1.275
  314    HZ3  TRP  40           HZ3      TRP  40   0.027   9.530   0.402
  315    HH2  TRP  40           HH2      TRP  40  -0.923  11.778   0.337
  316    H    LEU  41           H        LEU  41  -2.879   5.412  -6.220
  317    HA   LEU  41           HA       LEU  41  -3.306   2.586  -5.850
  318   1HB   LEU  41          1HB       LEU  41  -3.571   3.517  -8.061
  319   2HB   LEU  41          2HB       LEU  41  -1.943   4.167  -8.030
  320    HG   LEU  41           HG       LEU  41  -1.048   1.854  -8.010
  321   1HD1  LEU  41          1HD1      LEU  41  -2.959   0.740  -6.979
  322   2HD1  LEU  41          2HD1      LEU  41  -3.931   1.068  -8.413
  323   3HD1  LEU  41          3HD1      LEU  41  -2.539  -0.009  -8.520
  324   1HD2  LEU  41          1HD2      LEU  41  -1.294   3.089 -10.108
  325   2HD2  LEU  41          2HD2      LEU  41  -1.552   1.361 -10.342
  326   3HD2  LEU  41          3HD2      LEU  41  -2.930   2.458 -10.288
  327    H    VAL  42           H        VAL  42  -1.878   1.118  -5.128
  328    HA   VAL  42           HA       VAL  42   0.951   1.884  -4.938
  329    HB   VAL  42           HB       VAL  42   1.096   0.851  -2.699
  330   1HG1  VAL  42          1HG1      VAL  42  -0.876   3.123  -2.931
  331   2HG1  VAL  42          2HG1      VAL  42  -0.003   2.678  -1.464
  332   3HG1  VAL  42          3HG1      VAL  42   0.881   3.258  -2.875
  333   1HG2  VAL  42          1HG2      VAL  42  -0.831  -0.633  -2.839
  334   2HG2  VAL  42          2HG2      VAL  42  -0.956   0.418  -1.428
  335   3HG2  VAL  42          3HG2      VAL  42  -1.915   0.758  -2.867
  336    H    ARG  43           H        ARG  43   2.426   0.109  -4.780
  337    HA   ARG  43           HA       ARG  43   1.333  -2.522  -5.479
  338   1HB   ARG  43          1HB       ARG  43   1.964  -1.422  -7.582
  339   2HB   ARG  43          2HB       ARG  43   3.579  -1.131  -6.953
  340   1HG   ARG  43          1HG       ARG  43   3.908  -3.580  -6.789
  341   2HG   ARG  43          2HG       ARG  43   2.331  -3.804  -7.548
  342   1HD   ARG  43          1HD       ARG  43   4.133  -3.993  -9.183
  343   2HD   ARG  43          2HD       ARG  43   3.102  -2.604  -9.527
  344    HE   ARG  43           HE       ARG  43   5.122  -1.575  -8.020
  345   1HH1  ARG  43          1HH1      ARG  43   4.983  -3.444 -10.959
  346   2HH1  ARG  43          2HH1      ARG  43   6.437  -2.764 -11.611
  347   1HH2  ARG  43          1HH2      ARG  43   7.035  -0.676  -8.871
  348   2HH2  ARG  43          2HH2      ARG  43   7.603  -1.192 -10.423
  349    H    THR  44           H        THR  44   2.003  -3.817  -3.903
  350    HA   THR  44           HA       THR  44   4.044  -3.349  -2.095
  351    HB   THR  44           HB       THR  44   3.925  -5.718  -1.506
  352    HG1  THR  44           HG1      THR  44   2.141  -6.104  -3.676
  353   1HG2  THR  44          1HG2      THR  44   2.130  -4.236  -0.738
  354   2HG2  THR  44          2HG2      THR  44   1.214  -4.581  -2.205
  355   3HG2  THR  44          3HG2      THR  44   1.528  -5.865  -1.037
  356    H    LYS  45           H        LYS  45   6.183  -3.308  -2.283
  357    HA   LYS  45           HA       LYS  45   7.527  -3.986  -4.667
  358   1HB   LYS  45          1HB       LYS  45   9.610  -3.711  -3.222
  359   2HB   LYS  45          2HB       LYS  45   8.540  -2.322  -3.347
  360   1HG   LYS  45          1HG       LYS  45   7.702  -2.637  -1.174
  361   2HG   LYS  45          2HG       LYS  45   8.380  -4.261  -1.063
  362   1HD   LYS  45          1HD       LYS  45  10.643  -3.309  -1.114
  363   2HD   LYS  45          2HD       LYS  45   9.950  -1.688  -1.201
  364   1HE   LYS  45          1HE       LYS  45  10.653  -2.283   1.080
  365   2HE   LYS  45          2HE       LYS  45   8.920  -1.977   0.970
  366   1HZ   LYS  45          1HZ       LYS  45  10.182  -4.665   0.975
  367   2HZ   LYS  45          2HZ       LYS  45   9.427  -3.941   2.305
  368   3HZ   LYS  45          3HZ       LYS  45   8.521  -4.347   0.933
  369    HA   PRO  46           HA       PRO  46   7.827  -8.376  -3.726
  370   1HB   PRO  46          1HB       PRO  46   8.660  -9.200  -6.131
  371   2HB   PRO  46          2HB       PRO  46   6.998  -8.659  -5.867
  372   1HG   PRO  46          1HG       PRO  46   9.303  -7.178  -7.071
  373   2HG   PRO  46          2HG       PRO  46   7.613  -7.241  -7.605
  374   1HD   PRO  46          1HD       PRO  46   8.686  -5.186  -6.133
  375   2HD   PRO  46          2HD       PRO  46   6.965  -5.616  -6.130
  376    H    THR  47           H        THR  47   9.550 -10.072  -4.027
  377    HA   THR  47           HA       THR  47  12.247  -9.331  -4.503
  378    HB   THR  47           HB       THR  47  12.100  -8.197  -2.368
  379    HG1  THR  47           HG1      THR  47  13.522 -10.012  -1.203
  380   1HG2  THR  47          1HG2      THR  47  10.187  -9.398  -1.429
  381   2HG2  THR  47          2HG2      THR  47  11.178 -10.845  -1.246
  382   3HG2  THR  47          3HG2      THR  47  11.545  -9.401  -0.303
  383    H    LYS  48           H        LYS  48  13.595 -11.112  -4.609
  384    HA   LYS  48           HA       LYS  48  14.198 -13.292  -4.808
  385   1HB   LYS  48          1HB       LYS  48  12.073 -13.774  -2.709
  386   2HB   LYS  48          2HB       LYS  48  13.305 -14.928  -3.202
  387   1HG   LYS  48          1HG       LYS  48  15.047 -13.516  -2.334
  388   2HG   LYS  48          2HG       LYS  48  13.880 -12.245  -1.964
  389   1HD   LYS  48          1HD       LYS  48  12.780 -13.723  -0.356
  390   2HD   LYS  48          2HD       LYS  48  13.935 -15.001  -0.735
  391   1HE   LYS  48          1HE       LYS  48  14.658 -12.298   0.391
  392   2HE   LYS  48          2HE       LYS  48  14.482 -13.770   1.344
  393   1HZ   LYS  48          1HZ       LYS  48  16.431 -13.386  -0.864
  394   2HZ   LYS  48          2HZ       LYS  48  16.797 -13.306   0.787
  395   3HZ   LYS  48          3HZ       LYS  48  16.283 -14.766   0.103
  396    H    SER  49           H        SER  49  10.791 -13.913  -4.055
  397    HA   SER  49           HA       SER  49  10.120 -14.335  -6.835
  398   1HB   SER  49          1HB       SER  49  11.187 -16.476  -6.253
  399   2HB   SER  49          2HB       SER  49  10.084 -16.658  -4.890
  400    HG   SER  49           HG       SER  49   8.799 -16.190  -7.256
  401    H    SER  50           H        SER  50   9.294 -12.749  -4.446
  402    HA   SER  50           HA       SER  50   6.683 -13.730  -3.731
  403   1HB   SER  50          1HB       SER  50   7.966 -11.041  -3.195
  404   2HB   SER  50          2HB       SER  50   6.488 -11.647  -2.447
  405    HG   SER  50           HG       SER  50   9.141 -12.354  -1.989
  406    HA   PRO  51           HA       PRO  51   4.732 -12.054  -7.411
  407   1HB   PRO  51          1HB       PRO  51   2.160 -12.407  -6.499
  408   2HB   PRO  51          2HB       PRO  51   3.126 -13.671  -7.266
  409   1HG   PRO  51          1HG       PRO  51   2.667 -13.147  -4.353
  410   2HG   PRO  51          2HG       PRO  51   2.667 -14.692  -5.224
  411   1HD   PRO  51          1HD       PRO  51   4.775 -13.923  -3.780
  412   2HD   PRO  51          2HD       PRO  51   4.988 -14.768  -5.330
  413    H    SER  52           H        SER  52   4.390  -9.973  -7.859
  414    HA   SER  52           HA       SER  52   3.842  -8.104  -5.712
  415   1HB   SER  52          1HB       SER  52   5.543  -7.483  -7.326
  416   2HB   SER  52          2HB       SER  52   4.403  -7.680  -8.658
  417    HG   SER  52           HG       SER  52   4.861  -5.513  -7.223
  418    H    ARG  53           H        ARG  53   2.030  -6.818  -5.515
  419    HA   ARG  53           HA       ARG  53  -0.175  -7.299  -7.397
  420   1HB   ARG  53          1HB       ARG  53  -0.371  -8.726  -5.313
  421   2HB   ARG  53          2HB       ARG  53  -0.556  -7.233  -4.403
  422   1HG   ARG  53          1HG       ARG  53  -2.722  -8.138  -4.809
  423   2HG   ARG  53          2HG       ARG  53  -2.537  -6.695  -5.809
  424   1HD   ARG  53          1HD       ARG  53  -3.589  -8.509  -7.060
  425   2HD   ARG  53          2HD       ARG  53  -2.017  -8.093  -7.740
  426    HE   ARG  53           HE       ARG  53  -1.998 -10.275  -5.843
  427   1HH1  ARG  53          1HH1      ARG  53  -2.233  -9.329  -9.190
  428   2HH1  ARG  53          2HH1      ARG  53  -1.749 -10.879  -9.794
  429   1HH2  ARG  53          1HH2      ARG  53  -1.358 -12.315  -6.630
  430   2HH2  ARG  53          2HH2      ARG  53  -1.253 -12.575  -8.340
  431    H    GLN  54           H        GLN  54  -1.837  -5.653  -7.366
  432    HA   GLN  54           HA       GLN  54  -0.938  -3.091  -6.225
  433   1HB   GLN  54          1HB       GLN  54  -2.211  -3.482  -8.939
  434   2HB   GLN  54          2HB       GLN  54  -1.719  -1.947  -8.239
  435   1HG   GLN  54          1HG       GLN  54   0.608  -2.674  -8.263
  436   2HG   GLN  54          2HG       GLN  54   0.119  -4.219  -8.956
  437   1HE2  GLN  54          1HE2      GLN  54   0.534  -0.819  -9.527
  438   2HE2  GLN  54          2HE2      GLN  54   0.425  -0.887 -11.250
  439    H    GLY  55           H        GLY  55  -2.433  -1.974  -5.118
  440   1HA   GLY  55          1HA       GLY  55  -4.681  -2.889  -4.035
  441   2HA   GLY  55          2HA       GLY  55  -5.269  -2.426  -5.623
  442    H    TRP  56           H        TRP  56  -6.671  -0.981  -4.385
  443    HA   TRP  56           HA       TRP  56  -5.319   1.576  -3.866
  444   1HB   TRP  56          1HB       TRP  56  -8.231   1.020  -4.476
  445   2HB   TRP  56          2HB       TRP  56  -7.519   2.614  -4.247
  446    HD1  TRP  56           HD1      TRP  56  -7.233  -0.391  -6.676
  447    HE1  TRP  56           HE1      TRP  56  -6.581   0.520  -8.993
  448    HE3  TRP  56           HE3      TRP  56  -6.640   4.544  -5.473
  449    HZ2  TRP  56           HZ2      TRP  56  -5.906   3.000 -10.158
  450    HZ3  TRP  56           HZ3      TRP  56  -5.990   6.119  -7.248
  451    HH2  TRP  56           HH2      TRP  56  -5.631   5.362  -9.541
  452    H    VAL  57           H        VAL  57  -4.995   2.046  -1.796
  453    HA   VAL  57           HA       VAL  57  -7.083   1.332   0.151
  454    HB   VAL  57           HB       VAL  57  -5.354   0.870   1.835
  455   1HG1  VAL  57          1HG1      VAL  57  -6.324  -0.971   0.537
  456   2HG1  VAL  57          2HG1      VAL  57  -5.037  -0.801  -0.657
  457   3HG1  VAL  57          3HG1      VAL  57  -4.653  -1.301   0.989
  458   1HG2  VAL  57          1HG2      VAL  57  -3.427   1.174  -0.467
  459   2HG2  VAL  57          2HG2      VAL  57  -3.552   2.230   0.940
  460   3HG2  VAL  57          3HG2      VAL  57  -3.015   0.561   1.135
  461    H    SER  58           H        SER  58  -6.847   2.588   2.222
  462    HA   SER  58           HA       SER  58  -6.542   5.386   1.561
  463   1HB   SER  58          1HB       SER  58  -7.420   4.055   4.133
  464   2HB   SER  58          2HB       SER  58  -7.501   5.784   3.799
  465    HG   SER  58           HG       SER  58  -8.962   5.337   2.126
  466    HA   PRO  59           HA       PRO  59  -2.339   5.303   3.210
  467   1HB   PRO  59          1HB       PRO  59  -1.716   7.868   2.610
  468   2HB   PRO  59          2HB       PRO  59  -1.732   6.583   1.396
  469   1HG   PRO  59          1HG       PRO  59  -3.826   8.636   2.008
  470   2HG   PRO  59          2HG       PRO  59  -3.223   8.091   0.432
  471   1HD   PRO  59          1HD       PRO  59  -5.547   7.191   1.487
  472   2HD   PRO  59          2HD       PRO  59  -4.514   6.180   0.456
  473    H    ALA  60           H        ALA  60  -5.065   6.861   4.350
  474    HA   ALA  60           HA       ALA  60  -4.037   8.712   6.193
  475   1HB   ALA  60          1HB       ALA  60  -6.394   8.642   5.573
  476   2HB   ALA  60          2HB       ALA  60  -6.567   7.080   6.372
  477   3HB   ALA  60          3HB       ALA  60  -6.199   8.520   7.321
  478    H    TYR  61           H        TYR  61  -4.580   5.238   6.416
  479    HA   TYR  61           HA       TYR  61  -3.698   5.190   9.191
  480   1HB   TYR  61          1HB       TYR  61  -4.494   2.894   7.388
  481   2HB   TYR  61          2HB       TYR  61  -4.260   2.820   9.131
  482    HD1  TYR  61           HD1      TYR  61  -6.552   3.612   6.455
  483    HD2  TYR  61           HD2      TYR  61  -5.860   4.030  10.631
  484    HE1  TYR  61           HE1      TYR  61  -8.927   4.156   6.788
  485    HE2  TYR  61           HE2      TYR  61  -8.233   4.573  10.976
  486    HH   TYR  61           HH       TYR  61 -10.598   4.052   8.641
  487    H    LEU  62           H        LEU  62  -2.107   5.584   6.479
  488    HA   LEU  62           HA       LEU  62  -0.004   3.603   6.979
  489   1HB   LEU  62          1HB       LEU  62  -0.911   5.152   4.634
  490   2HB   LEU  62          2HB       LEU  62   0.823   4.942   4.774
  491    HG   LEU  62           HG       LEU  62   0.655   2.578   4.627
  492   1HD1  LEU  62          1HD1      LEU  62  -2.334   2.939   4.886
  493   2HD1  LEU  62          2HD1      LEU  62  -1.523   1.411   4.504
  494   3HD1  LEU  62          3HD1      LEU  62  -1.247   2.191   6.071
  495   1HD2  LEU  62          1HD2      LEU  62   0.437   3.788   2.505
  496   2HD2  LEU  62          2HD2      LEU  62  -0.438   2.258   2.479
  497   3HD2  LEU  62          3HD2      LEU  62  -1.317   3.773   2.682
  498    H    ASP  63           H        ASP  63   2.273   4.429   6.674
  499    HA   ASP  63           HA       ASP  63   2.608   7.150   7.727
  500   1HB   ASP  63          1HB       ASP  63   2.792   5.642   9.634
  501   2HB   ASP  63          2HB       ASP  63   3.982   4.666   8.777
  502    H    ARG  64           H        ARG  64   4.282   8.279   6.883
  503    HA   ARG  64           HA       ARG  64   5.461   7.384   4.478
  504   1HB   ARG  64          1HB       ARG  64   6.240   9.715   6.239
  505   2HB   ARG  64          2HB       ARG  64   6.761   9.473   4.577
  506   1HG   ARG  64          1HG       ARG  64   4.425   9.626   3.836
  507   2HG   ARG  64          2HG       ARG  64   3.931   9.915   5.505
  508   1HD   ARG  64          1HD       ARG  64   5.764  11.652   3.856
  509   2HD   ARG  64          2HD       ARG  64   4.092  12.010   4.282
  510    HE   ARG  64           HE       ARG  64   5.756  11.565   6.570
  511   1HH1  ARG  64          1HH1      ARG  64   4.732  13.925   4.219
  512   2HH1  ARG  64          2HH1      ARG  64   5.073  15.280   5.241
  513   1HH2  ARG  64          1HH2      ARG  64   6.208  13.345   7.922
  514   2HH2  ARG  64          2HH2      ARG  64   5.914  14.952   7.345
  515    H    ARG  65           H        ARG  65   7.358   6.437   4.035
  516    HA   ARG  65           HA       ARG  65   9.372   6.198   6.154
  517   1HB   ARG  65          1HB       ARG  65   8.066   4.135   6.231
  518   2HB   ARG  65          2HB       ARG  65   8.304   3.898   4.505
  519   1HG   ARG  65          1HG       ARG  65  10.740   3.713   4.913
  520   2HG   ARG  65          2HG       ARG  65  10.420   3.819   6.645
  521   1HD   ARG  65          1HD       ARG  65   9.076   1.799   6.543
  522   2HD   ARG  65          2HD       ARG  65   9.307   1.710   4.798
  523    HE   ARG  65           HE       ARG  65  11.359   1.215   6.840
  524   1HH1  ARG  65          1HH1      ARG  65  10.299   1.120   3.524
  525   2HH1  ARG  65          2HH1      ARG  65  11.604   0.110   3.000
  526   1HH2  ARG  65          1HH2      ARG  65  13.085  -0.115   6.158
  527   2HH2  ARG  65          2HH2      ARG  65  13.188  -0.591   4.496
  528    H    LEU  66           H        LEU  66  11.345   6.681   5.441
  529    HA   LEU  66           HA       LEU  66  11.902   6.414   2.561
  530   1HB   LEU  66          1HB       LEU  66  12.664   8.681   4.399
  531   2HB   LEU  66          2HB       LEU  66  13.351   8.453   2.802
  532    HG   LEU  66           HG       LEU  66  10.414   8.894   3.346
  533   1HD1  LEU  66          1HD1      LEU  66  12.525  10.815   2.377
  534   2HD1  LEU  66          2HD1      LEU  66  10.793  11.139   2.435
  535   3HD1  LEU  66          3HD1      LEU  66  11.691  10.874   3.929
  536   1HD2  LEU  66          1HD2      LEU  66  12.002   8.860   0.782
  537   2HD2  LEU  66          2HD2      LEU  66  10.836   7.644   1.303
  538   3HD2  LEU  66          3HD2      LEU  66  10.296   9.280   0.926
  539    H    LYS  67           H        LYS  67  13.819   5.539   2.001
  540    HA   LYS  67           HA       LYS  67  15.770   4.391   2.176
  541   1HB   LYS  67          1HB       LYS  67  16.213   6.103   4.627
  542   2HB   LYS  67          2HB       LYS  67  17.448   5.212   3.749
  543   1HG   LYS  67          1HG       LYS  67  15.815   7.485   2.637
  544   2HG   LYS  67          2HG       LYS  67  17.474   7.602   3.224
  545   1HD   LYS  67          1HD       LYS  67  16.562   5.854   0.939
  546   2HD   LYS  67          2HD       LYS  67  17.333   7.430   0.761
  547   1HE   LYS  67          1HE       LYS  67  19.333   6.595   1.867
  548   2HE   LYS  67          2HE       LYS  67  18.561   5.028   2.115
  549   1HZ   LYS  67          1HZ       LYS  67  19.150   6.246  -0.529
  550   2HZ   LYS  67          2HZ       LYS  67  20.056   5.022   0.205
  551   3HZ   LYS  67          3HZ       LYS  67  18.460   4.724  -0.268
  552    H    LEU  68           H        LEU  68  17.214   3.199   3.997
  553    HA   LEU  68           HA       LEU  68  15.342   1.370   5.274
  554   1HB   LEU  68          1HB       LEU  68  17.128   0.435   3.895
  555   2HB   LEU  68          2HB       LEU  68  18.334   1.215   4.899
  556    HG   LEU  68           HG       LEU  68  17.575  -0.181   6.818
  557   1HD1  LEU  68          1HD1      LEU  68  15.916  -1.555   4.708
  558   2HD1  LEU  68          2HD1      LEU  68  16.184  -2.144   6.349
  559   3HD1  LEU  68          3HD1      LEU  68  15.306  -0.637   6.086
  560   1HD2  LEU  68          1HD2      LEU  68  19.507  -0.820   5.460
  561   2HD2  LEU  68          2HD2      LEU  68  18.630  -2.235   6.043
  562   3HD2  LEU  68          3HD2      LEU  68  18.447  -1.710   4.368

  No H/Q in entry =         562
  Start of MODEL    3
    1    H1   ILE   1           H1       ILE   1  13.161   4.474  -3.452
    2    H2   ILE   1           H2       ILE   1  12.933   2.852  -3.881
    3    H3   ILE   1           H3       ILE   1  14.177   3.750  -4.594
    4    HA   ILE   1           HA       ILE   1  12.612   5.164  -5.703
    5    HB   ILE   1           HB       ILE   1  11.496   3.462  -7.170
    6   1HG1  ILE   1          1HG1      ILE   1  12.860   1.495  -5.315
    7   2HG1  ILE   1          2HG1      ILE   1  11.122   1.770  -5.392
    8   1HG2  ILE   1          1HG2      ILE   1  13.746   4.273  -7.624
    9   2HG2  ILE   1          2HG2      ILE   1  14.420   3.029  -6.570
   10   3HG2  ILE   1          3HG2      ILE   1  13.595   2.571  -8.060
   11   1HD1  ILE   1          1HD1      ILE   1  12.833   0.727  -7.637
   12   2HD1  ILE   1          2HD1      ILE   1  11.779  -0.236  -6.604
   13   3HD1  ILE   1          3HD1      ILE   1  11.087   0.971  -7.687
   14    H    PHE   2           H        PHE   2  10.540   5.899  -6.043
   15    HA   PHE   2           HA       PHE   2   8.418   6.474  -5.481
   16   1HB   PHE   2          1HB       PHE   2   8.301   3.498  -5.001
   17   2HB   PHE   2          2HB       PHE   2   6.885   4.540  -4.896
   18    HD1  PHE   2           HD1      PHE   2   9.285   2.945  -7.113
   19    HD2  PHE   2           HD2      PHE   2   5.988   5.624  -6.888
   20    HE1  PHE   2           HE1      PHE   2   8.967   2.751  -9.546
   21    HE2  PHE   2           HE2      PHE   2   5.661   5.434  -9.318
   22    HZ   PHE   2           HZ       PHE   2   7.152   3.997 -10.651
   23    H    ASP   3           H        ASP   3   6.659   5.637  -3.516
   24    HA   ASP   3           HA       ASP   3   8.151   6.277  -1.055
   25   1HB   ASP   3          1HB       ASP   3   5.325   7.081  -1.773
   26   2HB   ASP   3          2HB       ASP   3   6.156   7.472  -0.270
   27    H    ILE   4           H        ILE   4   8.340   4.352  -0.043
   28    HA   ILE   4           HA       ILE   4   6.173   2.449   0.015
   29    HB   ILE   4           HB       ILE   4   8.766   2.351   1.555
   30   1HG1  ILE   4          1HG1      ILE   4   8.191   1.103  -1.138
   31   2HG1  ILE   4          2HG1      ILE   4   9.065   2.618  -0.937
   32   1HG2  ILE   4          1HG2      ILE   4   7.048   0.821   2.348
   33   2HG2  ILE   4          2HG2      ILE   4   6.840   0.189   0.714
   34   3HG2  ILE   4          3HG2      ILE   4   8.361  -0.064   1.570
   35   1HD1  ILE   4          1HD1      ILE   4   9.910  -0.052   0.167
   36   2HD1  ILE   4          2HD1      ILE   4  10.572   0.732  -1.267
   37   3HD1  ILE   4          3HD1      ILE   4  10.796   1.466   0.319
   38    H    TYR   5           H        TYR   5   4.748   2.136   1.617
   39    HA   TYR   5           HA       TYR   5   5.017   3.795   4.036
   40   1HB   TYR   5          1HB       TYR   5   2.552   2.755   2.637
   41   2HB   TYR   5          2HB       TYR   5   2.525   3.545   4.209
   42    HD1  TYR   5           HD1      TYR   5   2.735   5.919   4.405
   43    HD2  TYR   5           HD2      TYR   5   3.153   4.039   0.610
   44    HE1  TYR   5           HE1      TYR   5   2.576   8.113   3.307
   45    HE2  TYR   5           HE2      TYR   5   2.996   6.230  -0.499
   46    HH   TYR   5           HH       TYR   5   2.077   8.474  -0.019
   47    H    VAL   6           H        VAL   6   4.251   2.900   6.045
   48    HA   VAL   6           HA       VAL   6   4.393  -0.042   6.115
   49    HB   VAL   6           HB       VAL   6   6.396   0.873   7.112
   50   1HG1  VAL   6          1HG1      VAL   6   5.546   3.102   7.652
   51   2HG1  VAL   6          2HG1      VAL   6   4.575   2.417   8.954
   52   3HG1  VAL   6          3HG1      VAL   6   6.336   2.358   9.042
   53   1HG2  VAL   6          1HG2      VAL   6   5.434  -1.122   8.149
   54   2HG2  VAL   6          2HG2      VAL   6   6.259  -0.116   9.340
   55   3HG2  VAL   6          3HG2      VAL   6   4.498  -0.104   9.244
   56    H    VAL   7           H        VAL   7   2.707  -1.072   6.982
   57    HA   VAL   7           HA       VAL   7   0.483   0.453   8.002
   58    HB   VAL   7           HB       VAL   7   0.732  -2.553   7.905
   59   1HG1  VAL   7          1HG1      VAL   7  -1.106  -1.689   9.266
   60   2HG1  VAL   7          2HG1      VAL   7  -1.675  -0.734   7.896
   61   3HG1  VAL   7          3HG1      VAL   7  -1.707  -2.496   7.818
   62   1HG2  VAL   7          1HG2      VAL   7  -0.259  -0.674   5.763
   63   2HG2  VAL   7          2HG2      VAL   7   1.200  -1.663   5.693
   64   3HG2  VAL   7          3HG2      VAL   7  -0.387  -2.433   5.722
   65    H    THR   8           H        THR   8   0.413   1.109  10.042
   66    HA   THR   8           HA       THR   8   1.370  -0.722  12.140
   67    HB   THR   8           HB       THR   8   2.062   1.291  13.452
   68    HG1  THR   8           HG1      THR   8   1.360   3.120  12.639
   69   1HG2  THR   8          1HG2      THR   8   3.445   0.898  10.795
   70   2HG2  THR   8          2HG2      THR   8   4.153   1.671  12.213
   71   3HG2  THR   8          3HG2      THR   8   3.724  -0.040  12.263
   72    H    ALA   9           H        ALA   9  -1.329  -0.356  11.121
   73    HA   ALA   9           HA       ALA   9  -2.615   0.258  13.657
   74   1HB   ALA   9          1HB       ALA   9  -2.625   2.405  12.506
   75   2HB   ALA   9          2HB       ALA   9  -3.415   1.666  11.114
   76   3HB   ALA   9          3HB       ALA   9  -4.260   1.762  12.659
   77    H    ASP  10           H        ASP  10  -2.223  -1.792  11.194
   78    HA   ASP  10           HA       ASP  10  -3.333  -3.615  10.412
   79   1HB   ASP  10          1HB       ASP  10  -5.148  -3.069  12.772
   80   2HB   ASP  10          2HB       ASP  10  -5.174  -4.536  11.801
   81    H    TYR  11           H        TYR  11  -4.272  -3.368   8.485
   82    HA   TYR  11           HA       TYR  11  -6.892  -2.028   8.391
   83   1HB   TYR  11          1HB       TYR  11  -5.134  -0.570   7.427
   84   2HB   TYR  11          2HB       TYR  11  -4.743  -1.840   6.270
   85    HD1  TYR  11           HD1      TYR  11  -7.591   0.281   7.412
   86    HD2  TYR  11           HD2      TYR  11  -5.815  -1.878   4.205
   87    HE1  TYR  11           HE1      TYR  11  -9.302   1.158   5.882
   88    HE2  TYR  11           HE2      TYR  11  -7.520  -1.004   2.664
   89    HH   TYR  11           HH       TYR  11  -9.848  -0.104   2.814
   90    H    LEU  12           H        LEU  12  -8.240  -3.714   8.177
   91    HA   LEU  12           HA       LEU  12  -7.677  -5.645   6.024
   92   1HB   LEU  12          1HB       LEU  12  -7.694  -6.593   8.331
   93   2HB   LEU  12          2HB       LEU  12  -9.369  -6.095   8.481
   94    HG   LEU  12           HG       LEU  12  -9.891  -7.565   6.504
   95   1HD1  LEU  12          1HD1      LEU  12  -7.088  -8.554   7.012
   96   2HD1  LEU  12          2HD1      LEU  12  -8.273  -9.315   5.950
   97   3HD1  LEU  12          3HD1      LEU  12  -7.652  -7.709   5.569
   98   1HD2  LEU  12          1HD2      LEU  12  -8.747  -8.862   8.975
   99   2HD2  LEU  12          2HD2      LEU  12 -10.397  -8.276   8.763
  100   3HD2  LEU  12          3HD2      LEU  12  -9.819  -9.646   7.815
  101    HA   PRO  13           HA       PRO  13 -11.227  -3.726   4.055
  102   1HB   PRO  13          1HB       PRO  13 -11.174  -6.202   2.425
  103   2HB   PRO  13          2HB       PRO  13 -11.129  -4.513   1.909
  104   1HG   PRO  13          1HG       PRO  13  -8.943  -6.038   1.800
  105   2HG   PRO  13          2HG       PRO  13  -8.845  -4.330   2.263
  106   1HD   PRO  13          1HD       PRO  13  -8.743  -6.771   3.990
  107   2HD   PRO  13          2HD       PRO  13  -7.808  -5.266   4.109
  108    H    LEU  14           H        LEU  14 -13.373  -3.887   4.392
  109    HA   LEU  14           HA       LEU  14 -14.365  -6.376   5.601
  110   1HB   LEU  14          1HB       LEU  14 -15.562  -3.608   5.742
  111   2HB   LEU  14          2HB       LEU  14 -16.119  -5.027   6.610
  112    HG   LEU  14           HG       LEU  14 -13.425  -3.724   7.019
  113   1HD1  LEU  14          1HD1      LEU  14 -15.246  -2.257   7.724
  114   2HD1  LEU  14          2HD1      LEU  14 -15.922  -3.561   8.699
  115   3HD1  LEU  14          3HD1      LEU  14 -14.348  -2.880   9.107
  116   1HD2  LEU  14          1HD2      LEU  14 -13.499  -6.127   7.535
  117   2HD2  LEU  14          2HD2      LEU  14 -13.282  -5.141   8.981
  118   3HD2  LEU  14          3HD2      LEU  14 -14.861  -5.840   8.618
  119    H    GLY  15           H        GLY  15 -15.006  -7.560   3.848
  120   1HA   GLY  15          1HA       GLY  15 -17.122  -6.347   2.177
  121   2HA   GLY  15          2HA       GLY  15 -17.137  -8.026   2.696
  122    H    ALA  16           H        ALA  16 -17.041  -6.566   0.002
  123    HA   ALA  16           HA       ALA  16 -14.733  -8.035  -1.097
  124   1HB   ALA  16          1HB       ALA  16 -16.062  -8.536  -3.079
  125   2HB   ALA  16          2HB       ALA  16 -17.446  -7.700  -2.374
  126   3HB   ALA  16          3HB       ALA  16 -16.831  -9.174  -1.626
  127    H    GLU  17           H        GLU  17 -13.273  -6.570  -1.705
  128    HA   GLU  17           HA       GLU  17 -14.218  -4.127  -3.054
  129   1HB   GLU  17          1HB       GLU  17 -11.643  -4.615  -1.547
  130   2HB   GLU  17          2HB       GLU  17 -12.049  -3.127  -2.391
  131   1HG   GLU  17          1HG       GLU  17 -13.585  -4.289  -0.079
  132   2HG   GLU  17          2HG       GLU  17 -12.418  -2.972   0.025
  133    H    GLN  18           H        GLN  18 -13.987  -4.184  -5.178
  134    HA   GLN  18           HA       GLN  18 -12.238  -6.049  -6.474
  135   1HB   GLN  18          1HB       GLN  18 -13.972  -3.823  -7.553
  136   2HB   GLN  18          2HB       GLN  18 -13.041  -4.914  -8.569
  137   1HG   GLN  18          1HG       GLN  18 -15.279  -5.697  -8.521
  138   2HG   GLN  18          2HG       GLN  18 -14.302  -6.813  -7.569
  139   1HE2  GLN  18          1HE2      GLN  18 -14.592  -6.922  -5.355
  140   2HE2  GLN  18          2HE2      GLN  18 -15.957  -6.221  -4.561
  141    H    ASP  19           H        ASP  19 -10.451  -5.596  -7.781
  142    HA   ASP  19           HA       ASP  19  -8.465  -4.619  -8.298
  143   1HB   ASP  19          1HB       ASP  19 -10.081  -2.071  -8.102
  144   2HB   ASP  19          2HB       ASP  19  -8.504  -2.226  -8.868
  145    H    ALA  20           H        ALA  20  -9.383  -4.865  -5.398
  146    HA   ALA  20           HA       ALA  20  -7.601  -2.850  -4.209
  147   1HB   ALA  20          1HB       ALA  20  -9.911  -2.936  -3.339
  148   2HB   ALA  20          2HB       ALA  20  -9.628  -4.597  -2.818
  149   3HB   ALA  20          3HB       ALA  20  -8.701  -3.279  -2.102
  150    H    ILE  21           H        ILE  21  -6.439  -3.683  -2.185
  151    HA   ILE  21           HA       ILE  21  -5.520  -6.448  -2.520
  152    HB   ILE  21           HB       ILE  21  -3.895  -5.057  -3.705
  153   1HG1  ILE  21          1HG1      ILE  21  -2.765  -6.004  -1.062
  154   2HG1  ILE  21          2HG1      ILE  21  -3.165  -7.067  -2.406
  155   1HG2  ILE  21          1HG2      ILE  21  -4.286  -2.961  -2.513
  156   2HG2  ILE  21          2HG2      ILE  21  -3.522  -3.635  -1.071
  157   3HG2  ILE  21          3HG2      ILE  21  -2.571  -3.376  -2.534
  158   1HD1  ILE  21          1HD1      ILE  21  -1.122  -4.859  -2.466
  159   2HD1  ILE  21          2HD1      ILE  21  -0.782  -6.584  -2.314
  160   3HD1  ILE  21          3HD1      ILE  21  -1.507  -5.955  -3.793
  161    H    THR  22           H        THR  22  -5.100  -7.503  -0.650
  162    HA   THR  22           HA       THR  22  -6.009  -6.347   1.789
  163    HB   THR  22           HB       THR  22  -6.283  -8.747   1.305
  164    HG1  THR  22           HG1      THR  22  -6.112  -9.205   3.392
  165   1HG2  THR  22          1HG2      THR  22  -3.284  -8.863   1.646
  166   2HG2  THR  22          2HG2      THR  22  -4.352 -10.263   1.551
  167   3HG2  THR  22          3HG2      THR  22  -4.181  -9.190   0.163
  168    H    LEU  23           H        LEU  23  -4.849  -5.852   3.659
  169    HA   LEU  23           HA       LEU  23  -1.929  -5.677   3.378
  170   1HB   LEU  23          1HB       LEU  23  -3.781  -3.513   4.370
  171   2HB   LEU  23          2HB       LEU  23  -2.040  -3.476   4.569
  172    HG   LEU  23           HG       LEU  23  -3.466  -3.523   1.907
  173   1HD1  LEU  23          1HD1      LEU  23  -2.144  -1.251   3.385
  174   2HD1  LEU  23          2HD1      LEU  23  -2.752  -1.182   1.731
  175   3HD1  LEU  23          3HD1      LEU  23  -3.871  -1.432   3.071
  176   1HD2  LEU  23          1HD2      LEU  23  -1.248  -4.540   1.832
  177   2HD2  LEU  23          2HD2      LEU  23  -1.265  -2.991   0.987
  178   3HD2  LEU  23          3HD2      LEU  23  -0.558  -3.109   2.599
  179    H    ARG  24           H        ARG  24  -0.765  -5.573   5.387
  180    HA   ARG  24           HA       ARG  24  -2.272  -6.396   7.763
  181   1HB   ARG  24          1HB       ARG  24   0.150  -7.820   6.645
  182   2HB   ARG  24          2HB       ARG  24  -0.522  -8.115   8.242
  183   1HG   ARG  24          1HG       ARG  24  -2.105  -8.455   5.710
  184   2HG   ARG  24          2HG       ARG  24  -1.175  -9.756   6.457
  185   1HD   ARG  24          1HD       ARG  24  -3.339  -8.191   7.856
  186   2HD   ARG  24          2HD       ARG  24  -3.594  -9.744   7.063
  187    HE   ARG  24           HE       ARG  24  -1.642 -10.379   8.734
  188   1HH1  ARG  24          1HH1      ARG  24  -4.496  -8.454   9.284
  189   2HH1  ARG  24          2HH1      ARG  24  -4.630  -8.899  10.953
  190   1HH2  ARG  24          1HH2      ARG  24  -1.815 -10.972  10.931
  191   2HH2  ARG  24          2HH2      ARG  24  -3.107 -10.330  11.889
  192    H    GLU  25           H        GLU  25  -1.463  -5.647   9.678
  193    HA   GLU  25           HA       GLU  25   0.187  -3.395   9.665
  194   1HB   GLU  25          1HB       GLU  25  -1.371  -3.721  11.456
  195   2HB   GLU  25          2HB       GLU  25  -0.614  -5.239  11.915
  196   1HG   GLU  25          1HG       GLU  25   1.405  -4.022  12.577
  197   2HG   GLU  25          2HG       GLU  25   0.627  -2.506  12.130
  198    H    GLY  26           H        GLY  26   2.225  -3.494   8.927
  199   1HA   GLY  26          1HA       GLY  26   3.983  -5.586  10.047
  200   2HA   GLY  26          2HA       GLY  26   4.483  -3.904   9.965
  201    H    GLN  27           H        GLN  27   2.735  -4.274   7.258
  202    HA   GLN  27           HA       GLN  27   4.883  -5.458   5.673
  203   1HB   GLN  27          1HB       GLN  27   1.998  -5.380   5.527
  204   2HB   GLN  27          2HB       GLN  27   2.717  -4.831   4.026
  205   1HG   GLN  27          1HG       GLN  27   4.018  -6.893   3.891
  206   2HG   GLN  27          2HG       GLN  27   3.300  -7.435   5.408
  207   1HE2  GLN  27          1HE2      GLN  27   2.777  -6.882   2.022
  208   2HE2  GLN  27          2HE2      GLN  27   1.273  -7.723   1.908
  209    H    TYR  28           H        TYR  28   5.587  -4.410   3.725
  210    HA   TYR  28           HA       TYR  28   5.296  -1.477   3.806
  211   1HB   TYR  28          1HB       TYR  28   7.701  -3.019   2.820
  212   2HB   TYR  28          2HB       TYR  28   7.570  -1.277   3.014
  213    HD1  TYR  28           HD1      TYR  28   8.185  -4.441   4.683
  214    HD2  TYR  28           HD2      TYR  28   7.542  -0.277   5.274
  215    HE1  TYR  28           HE1      TYR  28   9.066  -4.636   6.970
  216    HE2  TYR  28           HE2      TYR  28   8.421  -0.460   7.563
  217    HH   TYR  28           HH       TYR  28  10.069  -3.225   8.684
  218    H    VAL  29           H        VAL  29   4.906  -0.404   1.893
  219    HA   VAL  29           HA       VAL  29   5.083  -1.769  -0.639
  220    HB   VAL  29           HB       VAL  29   3.003  -2.716  -0.028
  221   1HG1  VAL  29          1HG1      VAL  29   2.488  -1.279   1.869
  222   2HG1  VAL  29          2HG1      VAL  29   2.100   0.048   0.773
  223   3HG1  VAL  29          3HG1      VAL  29   1.101  -1.405   0.786
  224   1HG2  VAL  29          1HG2      VAL  29   3.134  -1.738  -2.308
  225   2HG2  VAL  29          2HG2      VAL  29   1.490  -1.853  -1.681
  226   3HG2  VAL  29          3HG2      VAL  29   2.322  -0.299  -1.694
  227    H    GLU  30           H        GLU  30   5.713  -0.317  -2.075
  228    HA   GLU  30           HA       GLU  30   5.574   2.489  -1.587
  229   1HB   GLU  30          1HB       GLU  30   6.577   2.640  -3.888
  230   2HB   GLU  30          2HB       GLU  30   7.485   1.661  -2.747
  231   1HG   GLU  30          1HG       GLU  30   6.433  -0.361  -3.730
  232   2HG   GLU  30          2HG       GLU  30   5.682   0.675  -4.943
  233    H    VAL  31           H        VAL  31   4.537   4.077  -2.895
  234    HA   VAL  31           HA       VAL  31   1.938   3.182  -3.887
  235    HB   VAL  31           HB       VAL  31   2.000   5.021  -2.238
  236   1HG1  VAL  31          1HG1      VAL  31   4.105   6.050  -2.914
  237   2HG1  VAL  31          2HG1      VAL  31   3.369   6.578  -4.426
  238   3HG1  VAL  31          3HG1      VAL  31   2.796   7.231  -2.893
  239   1HG2  VAL  31          1HG2      VAL  31   0.971   5.786  -4.967
  240   2HG2  VAL  31          2HG2      VAL  31   0.111   4.854  -3.743
  241   3HG2  VAL  31          3HG2      VAL  31   0.495   6.549  -3.451
  242    H    LEU  32           H        LEU  32   1.162   3.634  -5.934
  243    HA   LEU  32           HA       LEU  32   3.222   4.309  -7.917
  244   1HB   LEU  32          1HB       LEU  32   0.630   2.791  -8.181
  245   2HB   LEU  32          2HB       LEU  32   1.646   3.222  -9.539
  246    HG   LEU  32           HG       LEU  32   2.458   1.421  -7.255
  247   1HD1  LEU  32          1HD1      LEU  32   1.723   0.797 -10.112
  248   2HD1  LEU  32          2HD1      LEU  32   2.377  -0.356  -8.948
  249   3HD1  LEU  32          3HD1      LEU  32   0.796   0.374  -8.673
  250   1HD2  LEU  32          1HD2      LEU  32   3.897   2.140  -9.808
  251   2HD2  LEU  32          2HD2      LEU  32   4.350   2.649  -8.181
  252   3HD2  LEU  32          3HD2      LEU  32   4.428   0.944  -8.625
  253    H    ASP  33           H        ASP  33  -0.333   4.546  -7.890
  254    HA   ASP  33           HA       ASP  33  -0.448   6.737  -9.631
  255   1HB   ASP  33          1HB       ASP  33  -2.360   5.280  -9.284
  256   2HB   ASP  33          2HB       ASP  33  -2.472   5.780  -7.600
  257    H    ALA  34           H        ALA  34  -1.650   6.951  -6.298
  258    HA   ALA  34           HA       ALA  34  -1.550   8.602  -4.739
  259   1HB   ALA  34          1HB       ALA  34   0.513   9.860  -4.498
  260   2HB   ALA  34          2HB       ALA  34   1.024   9.369  -6.112
  261   3HB   ALA  34          3HB       ALA  34   0.866   8.166  -4.832
  262    H    ALA  35           H        ALA  35  -3.409   9.638  -5.540
  263    HA   ALA  35           HA       ALA  35  -2.861  12.264  -6.707
  264   1HB   ALA  35          1HB       ALA  35  -4.694  12.049  -8.313
  265   2HB   ALA  35          2HB       ALA  35  -3.430  10.855  -8.610
  266   3HB   ALA  35          3HB       ALA  35  -4.931  10.373  -7.819
  267    H    HIS  36           H        HIS  36  -5.850  10.429  -6.075
  268    HA   HIS  36           HA       HIS  36  -6.936  12.675  -4.614
  269   1HB   HIS  36          1HB       HIS  36  -8.119   9.961  -5.236
  270   2HB   HIS  36          2HB       HIS  36  -8.989  11.296  -4.487
  271    HD1  HIS  36           HD1      HIS  36  -7.334  10.366  -7.757
  272    HD2  HIS  36           HD2      HIS  36 -10.062  13.109  -6.241
  273    HE1  HIS  36           HE1      HIS  36  -8.281  11.550  -9.763
  274    HE2  HIS  36           HE2      HIS  36  -9.878  13.254  -8.817
  275    HA   PRO  37           HA       PRO  37  -5.396  11.349  -0.619
  276   1HB   PRO  37          1HB       PRO  37  -7.857  12.819   0.236
  277   2HB   PRO  37          2HB       PRO  37  -6.213  12.957   0.844
  278   1HG   PRO  37          1HG       PRO  37  -7.130  14.798  -0.714
  279   2HG   PRO  37          2HG       PRO  37  -5.489  14.196  -0.970
  280   1HD   PRO  37          1HD       PRO  37  -7.982  13.600  -2.519
  281   2HD   PRO  37          2HD       PRO  37  -6.325  13.857  -3.107
  282    H    LEU  38           H        LEU  38  -8.628  10.837  -1.805
  283    HA   LEU  38           HA       LEU  38  -9.724   9.317   0.253
  284   1HB   LEU  38          1HB       LEU  38 -10.160   9.354  -2.712
  285   2HB   LEU  38          2HB       LEU  38 -11.003   8.194  -1.706
  286    HG   LEU  38           HG       LEU  38 -12.408  10.126  -2.162
  287   1HD1  LEU  38          1HD1      LEU  38 -11.483  10.018   0.704
  288   2HD1  LEU  38          2HD1      LEU  38 -13.001  10.714   0.138
  289   3HD1  LEU  38          3HD1      LEU  38 -12.703   8.985  -0.041
  290   1HD2  LEU  38          1HD2      LEU  38 -10.628  11.783  -2.480
  291   2HD2  LEU  38          2HD2      LEU  38 -11.850  12.339  -1.336
  292   3HD2  LEU  38          3HD2      LEU  38 -10.295  11.748  -0.748
  293    H    ARG  39           H        ARG  39  -8.382   7.961  -2.770
  294    HA   ARG  39           HA       ARG  39  -7.124   5.827  -1.227
  295   1HB   ARG  39          1HB       ARG  39  -8.107   4.083  -2.678
  296   2HB   ARG  39          2HB       ARG  39  -9.317   4.923  -1.717
  297   1HG   ARG  39          1HG       ARG  39  -9.658   6.394  -3.790
  298   2HG   ARG  39          2HG       ARG  39  -8.779   5.130  -4.654
  299   1HD   ARG  39          1HD       ARG  39 -11.311   4.781  -3.054
  300   2HD   ARG  39          2HD       ARG  39 -11.174   4.761  -4.812
  301    HE   ARG  39           HE       ARG  39  -9.680   2.747  -4.412
  302   1HH1  ARG  39          1HH1      ARG  39 -12.304   3.632  -2.297
  303   2HH1  ARG  39          2HH1      ARG  39 -12.581   2.012  -1.752
  304   1HH2  ARG  39          1HH2      ARG  39 -10.039   0.611  -3.701
  305   2HH2  ARG  39          2HH2      ARG  39 -11.294   0.295  -2.551
  306    H    TRP  40           H        TRP  40  -5.353   4.897  -2.205
  307    HA   TRP  40           HA       TRP  40  -4.571   6.019  -4.817
  308   1HB   TRP  40          1HB       TRP  40  -2.851   5.477  -2.393
  309   2HB   TRP  40          2HB       TRP  40  -2.198   5.824  -3.989
  310    HD1  TRP  40           HD1      TRP  40  -4.713   8.117  -4.340
  311    HE1  TRP  40           HE1      TRP  40  -4.219  10.430  -3.324
  312    HE3  TRP  40           HE3      TRP  40  -0.907   6.819  -1.188
  313    HZ2  TRP  40           HZ2      TRP  40  -2.447  11.554  -1.436
  314    HZ3  TRP  40           HZ3      TRP  40   0.137   8.572   0.187
  315    HH2  TRP  40           HH2      TRP  40  -0.618  10.890   0.064
  316    H    LEU  41           H        LEU  41  -3.233   4.707  -6.151
  317    HA   LEU  41           HA       LEU  41  -3.756   1.857  -5.816
  318   1HB   LEU  41          1HB       LEU  41  -4.296   2.721  -7.977
  319   2HB   LEU  41          2HB       LEU  41  -2.742   3.515  -8.121
  320    HG   LEU  41           HG       LEU  41  -1.631   1.328  -8.294
  321   1HD1  LEU  41          1HD1      LEU  41  -4.436   0.224  -8.182
  322   2HD1  LEU  41          2HD1      LEU  41  -2.993  -0.699  -8.601
  323   3HD1  LEU  41          3HD1      LEU  41  -3.164  -0.015  -6.984
  324   1HD2  LEU  41          1HD2      LEU  41  -2.337   2.480 -10.324
  325   2HD2  LEU  41          2HD2      LEU  41  -2.464   0.732 -10.514
  326   3HD2  LEU  41          3HD2      LEU  41  -3.913   1.696 -10.234
  327    H    VAL  42           H        VAL  42  -2.307   0.958  -4.454
  328    HA   VAL  42           HA       VAL  42   0.540   1.578  -4.856
  329    HB   VAL  42           HB       VAL  42   0.927   0.685  -2.614
  330   1HG1  VAL  42          1HG1      VAL  42  -1.255   2.761  -2.750
  331   2HG1  VAL  42          2HG1      VAL  42  -0.263   2.431  -1.329
  332   3HG1  VAL  42          3HG1      VAL  42   0.484   3.047  -2.804
  333   1HG2  VAL  42          1HG2      VAL  42  -2.063   0.285  -2.535
  334   2HG2  VAL  42          2HG2      VAL  42  -0.834  -0.981  -2.526
  335   3HG2  VAL  42          3HG2      VAL  42  -0.975   0.121  -1.156
  336    H    ARG  43           H        ARG  43   2.075  -0.103  -4.902
  337    HA   ARG  43           HA       ARG  43   1.003  -2.791  -5.440
  338   1HB   ARG  43          1HB       ARG  43   1.559  -1.770  -7.577
  339   2HB   ARG  43          2HB       ARG  43   3.156  -1.336  -6.985
  340   1HG   ARG  43          1HG       ARG  43   3.658  -3.755  -6.731
  341   2HG   ARG  43          2HG       ARG  43   2.103  -4.110  -7.486
  342   1HD   ARG  43          1HD       ARG  43   4.373  -2.561  -8.730
  343   2HD   ARG  43          2HD       ARG  43   3.918  -4.222  -9.111
  344    HE   ARG  43           HE       ARG  43   1.660  -2.690  -9.526
  345   1HH1  ARG  43          1HH1      ARG  43   4.901  -2.845 -10.793
  346   2HH1  ARG  43          2HH1      ARG  43   4.453  -2.259 -12.361
  347   1HH2  ARG  43          1HH2      ARG  43   1.060  -1.920 -11.583
  348   2HH2  ARG  43          2HH2      ARG  43   2.269  -1.733 -12.810
  349    H    THR  44           H        THR  44   1.758  -4.124  -3.931
  350    HA   THR  44           HA       THR  44   3.804  -3.583  -2.138
  351    HB   THR  44           HB       THR  44   3.792  -5.966  -1.571
  352    HG1  THR  44           HG1      THR  44   2.985  -6.220  -4.120
  353   1HG2  THR  44          1HG2      THR  44   2.002  -4.543  -0.706
  354   2HG2  THR  44          2HG2      THR  44   1.035  -4.874  -2.143
  355   3HG2  THR  44          3HG2      THR  44   1.412  -6.176  -1.016
  356    H    LYS  45           H        LYS  45   5.946  -3.633  -2.230
  357    HA   LYS  45           HA       LYS  45   7.269  -4.238  -4.690
  358   1HB   LYS  45          1HB       LYS  45   9.351  -3.720  -3.362
  359   2HB   LYS  45          2HB       LYS  45   8.157  -2.434  -3.431
  360   1HG   LYS  45          1HG       LYS  45   7.446  -2.861  -1.206
  361   2HG   LYS  45          2HG       LYS  45   8.381  -4.352  -1.128
  362   1HD   LYS  45          1HD       LYS  45   9.672  -1.675  -1.576
  363   2HD   LYS  45          2HD       LYS  45   9.343  -2.296   0.041
  364   1HE   LYS  45          1HE       LYS  45  11.564  -2.906  -0.403
  365   2HE   LYS  45          2HE       LYS  45  10.626  -4.375  -0.664
  366   1HZ   LYS  45          1HZ       LYS  45  11.452  -2.538  -2.843
  367   2HZ   LYS  45          2HZ       LYS  45  12.326  -3.914  -2.394
  368   3HZ   LYS  45          3HZ       LYS  45  10.757  -4.072  -3.007
  369    HA   PRO  46           HA       PRO  46   7.961  -8.534  -3.585
  370   1HB   PRO  46          1HB       PRO  46   8.955  -9.357  -5.929
  371   2HB   PRO  46          2HB       PRO  46   7.245  -8.947  -5.749
  372   1HG   PRO  46          1HG       PRO  46   9.468  -7.330  -6.927
  373   2HG   PRO  46          2HG       PRO  46   7.802  -7.530  -7.501
  374   1HD   PRO  46          1HD       PRO  46   8.701  -5.366  -6.052
  375   2HD   PRO  46          2HD       PRO  46   7.009  -5.893  -6.121
  376    H    THR  47           H        THR  47   9.952 -10.098  -4.177
  377    HA   THR  47           HA       THR  47  12.468  -8.642  -3.857
  378    HB   THR  47           HB       THR  47  11.930  -9.116  -1.586
  379    HG1  THR  47           HG1      THR  47  13.705 -11.156  -2.487
  380   1HG2  THR  47          1HG2      THR  47  10.223 -10.884  -2.099
  381   2HG2  THR  47          2HG2      THR  47  11.556 -12.021  -2.303
  382   3HG2  THR  47          3HG2      THR  47  11.283 -11.256  -0.740
  383    H    LYS  48           H        LYS  48  10.959 -11.825  -4.280
  384    HA   LYS  48           HA       LYS  48  12.353 -12.496  -6.595
  385   1HB   LYS  48          1HB       LYS  48  14.297 -12.515  -4.973
  386   2HB   LYS  48          2HB       LYS  48  13.522 -13.875  -4.173
  387   1HG   LYS  48          1HG       LYS  48  13.731 -15.228  -6.141
  388   2HG   LYS  48          2HG       LYS  48  14.328 -13.856  -7.072
  389   1HD   LYS  48          1HD       LYS  48  16.278 -14.995  -6.544
  390   2HD   LYS  48          2HD       LYS  48  16.199 -13.766  -5.281
  391   1HE   LYS  48          1HE       LYS  48  15.233 -16.609  -4.987
  392   2HE   LYS  48          2HE       LYS  48  16.798 -16.016  -4.433
  393   1HZ   LYS  48          1HZ       LYS  48  15.579 -14.420  -3.014
  394   2HZ   LYS  48          2HZ       LYS  48  14.126 -15.153  -3.469
  395   3HZ   LYS  48          3HZ       LYS  48  15.283 -16.033  -2.604
  396    H    SER  49           H        SER  49  10.209 -13.045  -4.133
  397    HA   SER  49           HA       SER  49   9.051 -15.310  -5.518
  398   1HB   SER  49          1HB       SER  49   8.925 -16.734  -3.513
  399   2HB   SER  49          2HB       SER  49  10.599 -16.417  -3.968
  400    HG   SER  49           HG       SER  49  10.819 -15.717  -2.008
  401    H    SER  50           H        SER  50   8.822 -12.522  -3.690
  402    HA   SER  50           HA       SER  50   6.210 -13.017  -2.568
  403   1HB   SER  50          1HB       SER  50   7.766 -11.532  -1.401
  404   2HB   SER  50          2HB       SER  50   7.807 -10.456  -2.798
  405    HG   SER  50           HG       SER  50   6.265  -9.529  -1.652
  406    HA   PRO  51           HA       PRO  51   4.253 -12.110  -6.540
  407   1HB   PRO  51          1HB       PRO  51   1.688 -12.233  -5.539
  408   2HB   PRO  51          2HB       PRO  51   2.613 -13.632  -6.091
  409   1HG   PRO  51          1HG       PRO  51   2.207 -12.607  -3.309
  410   2HG   PRO  51          2HG       PRO  51   2.190 -14.280  -3.901
  411   1HD   PRO  51          1HD       PRO  51   4.319 -13.277  -2.629
  412   2HD   PRO  51          2HD       PRO  51   4.507 -14.398  -3.994
  413    H    SER  52           H        SER  52   4.356 -10.056  -7.183
  414    HA   SER  52           HA       SER  52   3.573  -7.890  -5.432
  415   1HB   SER  52          1HB       SER  52   4.374  -6.432  -7.261
  416   2HB   SER  52          2HB       SER  52   5.577  -7.637  -6.805
  417    HG   SER  52           HG       SER  52   4.634  -7.195  -9.196
  418    H    ARG  53           H        ARG  53   1.568  -7.182  -5.295
  419    HA   ARG  53           HA       ARG  53  -0.147  -7.268  -7.690
  420   1HB   ARG  53          1HB       ARG  53  -1.027  -7.734  -4.833
  421   2HB   ARG  53          2HB       ARG  53  -2.069  -7.739  -6.249
  422   1HG   ARG  53          1HG       ARG  53   0.199  -9.667  -5.811
  423   2HG   ARG  53          2HG       ARG  53  -1.486  -9.996  -5.405
  424   1HD   ARG  53          1HD       ARG  53  -2.122  -9.720  -7.735
  425   2HD   ARG  53          2HD       ARG  53  -0.457  -9.316  -8.158
  426    HE   ARG  53           HE       ARG  53  -0.173 -11.737  -7.049
  427   1HH1  ARG  53          1HH1      ARG  53  -2.377 -10.543  -9.470
  428   2HH1  ARG  53          2HH1      ARG  53  -2.526 -12.071 -10.271
  429   1HH2  ARG  53          1HH2      ARG  53  -0.364 -13.751  -8.097
  430   2HH2  ARG  53          2HH2      ARG  53  -1.383 -13.895  -9.490
  431    H    GLN  54           H        GLN  54  -1.674  -5.564  -7.894
  432    HA   GLN  54           HA       GLN  54  -1.049  -3.220  -6.222
  433   1HB   GLN  54          1HB       GLN  54  -2.299  -2.548  -8.746
  434   2HB   GLN  54          2HB       GLN  54  -0.796  -1.961  -8.052
  435   1HG   GLN  54          1HG       GLN  54  -0.011  -2.926  -9.952
  436   2HG   GLN  54          2HG       GLN  54   0.109  -4.292  -8.846
  437   1HE2  GLN  54          1HE2      GLN  54  -2.801  -4.687  -8.823
  438   2HE2  GLN  54          2HE2      GLN  54  -3.188  -5.427 -10.333
  439    H    GLY  55           H        GLY  55  -2.661  -2.253  -5.153
  440   1HA   GLY  55          1HA       GLY  55  -5.015  -3.273  -4.464
  441   2HA   GLY  55          2HA       GLY  55  -5.419  -2.598  -6.034
  442    H    TRP  56           H        TRP  56  -6.885  -1.129  -5.130
  443    HA   TRP  56           HA       TRP  56  -5.701   1.343  -4.288
  444   1HB   TRP  56          1HB       TRP  56  -8.600   0.531  -4.580
  445   2HB   TRP  56          2HB       TRP  56  -8.045   2.169  -4.255
  446    HD1  TRP  56           HD1      TRP  56  -8.199  -0.440  -7.050
  447    HE1  TRP  56           HE1      TRP  56  -7.737   0.734  -9.295
  448    HE3  TRP  56           HE3      TRP  56  -6.869   4.173  -5.296
  449    HZ2  TRP  56           HZ2      TRP  56  -6.916   3.278 -10.200
  450    HZ3  TRP  56           HZ3      TRP  56  -6.259   5.921  -6.916
  451    HH2  TRP  56           HH2      TRP  56  -6.282   5.481  -9.318
  452    H    VAL  57           H        VAL  57  -5.264   1.928  -2.274
  453    HA   VAL  57           HA       VAL  57  -6.881   0.806  -0.088
  454    HB   VAL  57           HB       VAL  57  -4.901   0.604   1.320
  455   1HG1  VAL  57          1HG1      VAL  57  -4.613  -0.834  -1.316
  456   2HG1  VAL  57          2HG1      VAL  57  -3.840  -1.306   0.197
  457   3HG1  VAL  57          3HG1      VAL  57  -5.597  -1.347   0.054
  458   1HG2  VAL  57          1HG2      VAL  57  -3.351   1.409  -1.142
  459   2HG2  VAL  57          2HG2      VAL  57  -3.538   2.362   0.331
  460   3HG2  VAL  57          3HG2      VAL  57  -2.650   0.839   0.372
  461    H    SER  58           H        SER  58  -6.414   2.049   2.013
  462    HA   SER  58           HA       SER  58  -6.649   4.893   1.396
  463   1HB   SER  58          1HB       SER  58  -7.409   5.024   3.817
  464   2HB   SER  58          2HB       SER  58  -8.443   4.080   2.742
  465    HG   SER  58           HG       SER  58  -6.399   2.728   4.064
  466    HA   PRO  59           HA       PRO  59  -2.419   5.316   2.881
  467   1HB   PRO  59          1HB       PRO  59  -2.145   7.952   2.380
  468   2HB   PRO  59          2HB       PRO  59  -2.103   6.740   1.094
  469   1HG   PRO  59          1HG       PRO  59  -4.367   8.498   1.964
  470   2HG   PRO  59          2HG       PRO  59  -3.819   8.114   0.321
  471   1HD   PRO  59          1HD       PRO  59  -5.942   6.888   1.489
  472   2HD   PRO  59          2HD       PRO  59  -4.898   6.080   0.303
  473    H    ALA  60           H        ALA  60  -5.275   6.579   4.154
  474    HA   ALA  60           HA       ALA  60  -4.282   8.359   6.110
  475   1HB   ALA  60          1HB       ALA  60  -6.635   8.297   5.420
  476   2HB   ALA  60          2HB       ALA  60  -6.809   6.715   6.178
  477   3HB   ALA  60          3HB       ALA  60  -6.458   8.132   7.167
  478    H    TYR  61           H        TYR  61  -4.669   4.879   6.022
  479    HA   TYR  61           HA       TYR  61  -3.934   4.633   8.837
  480   1HB   TYR  61          1HB       TYR  61  -4.687   2.537   6.789
  481   2HB   TYR  61          2HB       TYR  61  -4.347   2.212   8.486
  482    HD1  TYR  61           HD1      TYR  61  -5.924   2.939  10.227
  483    HD2  TYR  61           HD2      TYR  61  -6.768   3.518   6.099
  484    HE1  TYR  61           HE1      TYR  61  -8.286   3.350  10.774
  485    HE2  TYR  61           HE2      TYR  61  -9.132   3.931   6.633
  486    HH   TYR  61           HH       TYR  61 -10.233   4.530   9.756
  487    H    LEU  62           H        LEU  62  -2.218   5.316   6.276
  488    HA   LEU  62           HA       LEU  62  -0.043   3.423   6.878
  489   1HB   LEU  62          1HB       LEU  62  -1.049   4.580   4.376
  490   2HB   LEU  62          2HB       LEU  62   0.694   4.638   4.541
  491    HG   LEU  62           HG       LEU  62   0.858   2.267   4.688
  492   1HD1  LEU  62          1HD1      LEU  62  -2.156   2.265   4.872
  493   2HD1  LEU  62          2HD1      LEU  62  -1.162   0.817   4.633
  494   3HD1  LEU  62          3HD1      LEU  62  -1.004   1.763   6.122
  495   1HD2  LEU  62          1HD2      LEU  62  -1.160   3.006   2.570
  496   2HD2  LEU  62          2HD2      LEU  62   0.592   3.139   2.435
  497   3HD2  LEU  62          3HD2      LEU  62  -0.162   1.552   2.575
  498    H    ASP  63           H        ASP  63   2.053   4.202   7.154
  499    HA   ASP  63           HA       ASP  63   2.212   7.074   7.778
  500   1HB   ASP  63          1HB       ASP  63   2.506   5.551   9.712
  501   2HB   ASP  63          2HB       ASP  63   3.879   4.809   8.895
  502    H    ARG  64           H        ARG  64   3.704   8.308   6.789
  503    HA   ARG  64           HA       ARG  64   4.979   7.431   4.455
  504   1HB   ARG  64          1HB       ARG  64   5.643   9.842   6.155
  505   2HB   ARG  64          2HB       ARG  64   6.147   9.593   4.489
  506   1HG   ARG  64          1HG       ARG  64   3.787   9.593   3.796
  507   2HG   ARG  64          2HG       ARG  64   3.316   9.911   5.468
  508   1HD   ARG  64          1HD       ARG  64   3.339  11.974   4.190
  509   2HD   ARG  64          2HD       ARG  64   4.601  12.000   5.421
  510    HE   ARG  64           HE       ARG  64   5.681  11.041   3.011
  511   1HH1  ARG  64          1HH1      ARG  64   4.462  13.981   4.430
  512   2HH1  ARG  64          2HH1      ARG  64   5.442  15.015   3.445
  513   1HH2  ARG  64          1HH2      ARG  64   6.974  12.394   1.710
  514   2HH2  ARG  64          2HH2      ARG  64   6.870  14.113   1.898
  515    H    ARG  65           H        ARG  65   6.879   6.497   4.056
  516    HA   ARG  65           HA       ARG  65   8.934   6.467   6.149
  517   1HB   ARG  65          1HB       ARG  65   7.837   4.374   6.469
  518   2HB   ARG  65          2HB       ARG  65   7.773   4.066   4.741
  519   1HG   ARG  65          1HG       ARG  65   9.446   2.668   5.729
  520   2HG   ARG  65          2HG       ARG  65  10.237   3.879   4.719
  521   1HD   ARG  65          1HD       ARG  65  10.779   5.197   6.688
  522   2HD   ARG  65          2HD       ARG  65   9.924   4.045   7.715
  523    HE   ARG  65           HE       ARG  65  12.042   2.884   6.146
  524   1HH1  ARG  65          1HH1      ARG  65  11.222   4.470   9.140
  525   2HH1  ARG  65          2HH1      ARG  65  12.578   3.824  10.001
  526   1HH2  ARG  65          1HH2      ARG  65  13.828   2.029   7.273
  527   2HH2  ARG  65          2HH2      ARG  65  14.059   2.437   8.941
  528    H    LEU  66           H        LEU  66  10.544   7.546   5.202
  529    HA   LEU  66           HA       LEU  66  11.316   6.759   2.469
  530   1HB   LEU  66          1HB       LEU  66  11.591   9.474   3.763
  531   2HB   LEU  66          2HB       LEU  66  12.178   9.049   2.167
  532    HG   LEU  66           HG       LEU  66   9.274   9.047   2.999
  533   1HD1  LEU  66          1HD1      LEU  66  10.831  11.010   1.322
  534   2HD1  LEU  66          2HD1      LEU  66   9.087  11.033   1.580
  535   3HD1  LEU  66          3HD1      LEU  66  10.182  11.303   2.936
  536   1HD2  LEU  66          1HD2      LEU  66   9.770   7.425   1.240
  537   2HD2  LEU  66          2HD2      LEU  66   8.827   8.778   0.615
  538   3HD2  LEU  66          3HD2      LEU  66  10.558   8.687   0.293
  539    H    LYS  67           H        LYS  67  13.370   6.130   2.154
  540    HA   LYS  67           HA       LYS  67  15.431   6.820   4.094
  541   1HB   LYS  67          1HB       LYS  67  16.125   4.494   4.403
  542   2HB   LYS  67          2HB       LYS  67  14.482   4.741   4.974
  543   1HG   LYS  67          1HG       LYS  67  13.609   3.744   2.929
  544   2HG   LYS  67          2HG       LYS  67  15.255   3.515   2.335
  545   1HD   LYS  67          1HD       LYS  67  15.723   2.069   4.279
  546   2HD   LYS  67          2HD       LYS  67  14.047   2.257   4.797
  547   1HE   LYS  67          1HE       LYS  67  14.365   0.156   3.602
  548   2HE   LYS  67          2HE       LYS  67  13.281   1.230   2.721
  549   1HZ   LYS  67          1HZ       LYS  67  16.164   0.826   2.131
  550   2HZ   LYS  67          2HZ       LYS  67  14.878   0.172   1.247
  551   3HZ   LYS  67          3HZ       LYS  67  15.118   1.846   1.280
  552    H    LEU  68           H        LEU  68  14.408   6.219   0.968
  553    HA   LEU  68           HA       LEU  68  15.423   6.162  -1.064
  554   1HB   LEU  68          1HB       LEU  68  17.519   7.519   0.605
  555   2HB   LEU  68          2HB       LEU  68  17.794   7.187  -1.093
  556    HG   LEU  68           HG       LEU  68  17.058   9.480  -0.777
  557   1HD1  LEU  68          1HD1      LEU  68  14.936   7.773  -2.069
  558   2HD1  LEU  68          2HD1      LEU  68  15.169   9.503  -2.327
  559   3HD1  LEU  68          3HD1      LEU  68  16.413   8.361  -2.834
  560   1HD2  LEU  68          1HD2      LEU  68  15.796   9.178   1.293
  561   2HD2  LEU  68          2HD2      LEU  68  14.833  10.003   0.068
  562   3HD2  LEU  68          3HD2      LEU  68  14.551   8.296   0.409

  No H/Q in entry =         562
  Start of MODEL    4
    1    H1   ILE   1           H1       ILE   1  11.819   4.070  -8.424
    2    H2   ILE   1           H2       ILE   1  12.823   5.326  -7.899
    3    H3   ILE   1           H3       ILE   1  13.383   3.731  -7.875
    4    HA   ILE   1           HA       ILE   1  11.753   3.140  -6.212
    5    HB   ILE   1           HB       ILE   1  12.654   4.472  -4.325
    6   1HG1  ILE   1          1HG1      ILE   1  14.162   5.992  -6.464
    7   2HG1  ILE   1          2HG1      ILE   1  12.772   6.631  -5.595
    8   1HG2  ILE   1          1HG2      ILE   1  14.682   3.539  -6.351
    9   2HG2  ILE   1          2HG2      ILE   1  15.002   3.805  -4.636
   10   3HG2  ILE   1          3HG2      ILE   1  13.874   2.544  -5.138
   11   1HD1  ILE   1          1HD1      ILE   1  14.006   6.452  -3.496
   12   2HD1  ILE   1          2HD1      ILE   1  15.399   5.819  -4.373
   13   3HD1  ILE   1          3HD1      ILE   1  14.847   7.468  -4.667
   14    H    PHE   2           H        PHE   2  10.330   3.996  -4.487
   15    HA   PHE   2           HA       PHE   2   8.955   6.483  -5.165
   16   1HB   PHE   2          1HB       PHE   2   7.693   3.755  -5.113
   17   2HB   PHE   2          2HB       PHE   2   6.743   5.204  -4.806
   18    HD1  PHE   2           HD1      PHE   2   8.378   3.161  -7.298
   19    HD2  PHE   2           HD2      PHE   2   6.507   6.915  -6.578
   20    HE1  PHE   2           HE1      PHE   2   8.112   3.490  -9.722
   21    HE2  PHE   2           HE2      PHE   2   6.237   7.251  -9.001
   22    HZ   PHE   2           HZ       PHE   2   7.040   5.536 -10.576
   23    H    ASP   3           H        ASP   3   6.807   6.210  -3.394
   24    HA   ASP   3           HA       ASP   3   8.245   6.417  -0.851
   25   1HB   ASP   3          1HB       ASP   3   5.471   7.362  -1.595
   26   2HB   ASP   3          2HB       ASP   3   6.279   7.660  -0.059
   27    H    ILE   4           H        ILE   4   8.311   4.541   0.228
   28    HA   ILE   4           HA       ILE   4   6.119   2.661   0.139
   29    HB   ILE   4           HB       ILE   4   8.620   2.531   1.822
   30   1HG1  ILE   4          1HG1      ILE   4   8.148   1.269  -0.886
   31   2HG1  ILE   4          2HG1      ILE   4   9.062   2.756  -0.646
   32   1HG2  ILE   4          1HG2      ILE   4   6.838   1.046   2.550
   33   2HG2  ILE   4          2HG2      ILE   4   6.691   0.400   0.917
   34   3HG2  ILE   4          3HG2      ILE   4   8.166   0.124   1.844
   35   1HD1  ILE   4          1HD1      ILE   4   9.756   0.074   0.529
   36   2HD1  ILE   4          2HD1      ILE   4  10.511   0.807  -0.885
   37   3HD1  ILE   4          3HD1      ILE   4  10.687   1.562   0.698
   38    H    TYR   5           H        TYR   5   4.419   2.818   1.422
   39    HA   TYR   5           HA       TYR   5   4.599   4.316   3.926
   40   1HB   TYR   5          1HB       TYR   5   2.215   3.235   2.411
   41   2HB   TYR   5          2HB       TYR   5   2.113   4.137   3.917
   42    HD1  TYR   5           HD1      TYR   5   3.307   4.402   0.405
   43    HD2  TYR   5           HD2      TYR   5   2.007   6.472   3.886
   44    HE1  TYR   5           HE1      TYR   5   3.260   6.505  -0.870
   45    HE2  TYR   5           HE2      TYR   5   1.956   8.580   2.621
   46    HH   TYR   5           HH       TYR   5   2.190   8.691  -0.775
   47    H    VAL   6           H        VAL   6   4.719   3.332   5.842
   48    HA   VAL   6           HA       VAL   6   4.580   0.441   5.966
   49    HB   VAL   6           HB       VAL   6   6.395   1.536   7.142
   50   1HG1  VAL   6          1HG1      VAL   6   4.252   2.892   8.773
   51   2HG1  VAL   6          2HG1      VAL   6   5.984   2.962   9.095
   52   3HG1  VAL   6          3HG1      VAL   6   5.334   3.668   7.616
   53   1HG2  VAL   6          1HG2      VAL   6   5.533  -0.556   8.066
   54   2HG2  VAL   6          2HG2      VAL   6   6.145   0.501   9.338
   55   3HG2  VAL   6          3HG2      VAL   6   4.408   0.351   9.077
   56    H    VAL   7           H        VAL   7   2.987  -0.750   6.843
   57    HA   VAL   7           HA       VAL   7   0.526   0.599   7.564
   58    HB   VAL   7           HB       VAL   7   1.126  -2.359   7.408
   59   1HG1  VAL   7          1HG1      VAL   7  -1.497  -0.885   7.621
   60   2HG1  VAL   7          2HG1      VAL   7  -1.320  -2.618   7.347
   61   3HG1  VAL   7          3HG1      VAL   7  -0.764  -1.903   8.861
   62   1HG2  VAL   7          1HG2      VAL   7   1.382  -1.225   5.252
   63   2HG2  VAL   7          2HG2      VAL   7  -0.024  -2.289   5.261
   64   3HG2  VAL   7          3HG2      VAL   7  -0.237  -0.546   5.420
   65    H    THR   8           H        THR   8  -0.074   1.054   9.567
   66    HA   THR   8           HA       THR   8   1.050  -0.529  11.782
   67    HB   THR   8           HB       THR   8   1.192   1.497  13.156
   68    HG1  THR   8           HG1      THR   8  -0.397   2.553  11.437
   69   1HG2  THR   8          1HG2      THR   8   3.171   0.778  11.893
   70   2HG2  THR   8          2HG2      THR   8   2.664   1.781  10.534
   71   3HG2  THR   8          3HG2      THR   8   3.118   2.532  12.064
   72    H    ALA   9           H        ALA   9  -1.620  -0.211  10.215
   73    HA   ALA   9           HA       ALA   9  -3.306  -0.153  12.626
   74   1HB   ALA   9          1HB       ALA   9  -4.036   1.036   9.951
   75   2HB   ALA   9          2HB       ALA   9  -5.077   0.959  11.373
   76   3HB   ALA   9          3HB       ALA   9  -3.615   1.943  11.404
   77    H    ASP  10           H        ASP  10  -2.064  -2.181  10.602
   78    HA   ASP  10           HA       ASP  10  -2.579  -4.278   9.899
   79   1HB   ASP  10          1HB       ASP  10  -3.797  -4.494  12.031
   80   2HB   ASP  10          2HB       ASP  10  -5.237  -3.821  11.273
   81    H    TYR  11           H        TYR  11  -5.772  -2.702   9.697
   82    HA   TYR  11           HA       TYR  11  -7.142  -2.230   7.950
   83   1HB   TYR  11          1HB       TYR  11  -5.131  -1.020   7.089
   84   2HB   TYR  11          2HB       TYR  11  -4.678  -2.479   6.213
   85    HD1  TYR  11           HD1      TYR  11  -7.121   0.267   6.421
   86    HD2  TYR  11           HD2      TYR  11  -5.806  -3.106   4.184
   87    HE1  TYR  11           HE1      TYR  11  -8.511   0.989   4.526
   88    HE2  TYR  11           HE2      TYR  11  -7.192  -2.391   2.282
   89    HH   TYR  11           HH       TYR  11  -9.216  -1.005   1.896
   90    H    LEU  12           H        LEU  12  -8.222  -4.218   8.282
   91    HA   LEU  12           HA       LEU  12  -7.619  -6.270   6.254
   92   1HB   LEU  12          1HB       LEU  12  -7.467  -6.755   8.836
   93   2HB   LEU  12          2HB       LEU  12  -9.210  -6.876   8.710
   94    HG   LEU  12           HG       LEU  12  -8.150  -9.073   8.591
   95   1HD1  LEU  12          1HD1      LEU  12 -10.246  -8.717   7.391
   96   2HD1  LEU  12          2HD1      LEU  12  -9.343  -8.241   5.953
   97   3HD1  LEU  12          3HD1      LEU  12  -9.219  -9.890   6.565
   98   1HD2  LEU  12          1HD2      LEU  12  -6.013  -8.390   7.632
   99   2HD2  LEU  12          2HD2      LEU  12  -6.748  -9.691   6.696
  100   3HD2  LEU  12          3HD2      LEU  12  -6.810  -8.033   6.099
  101    HA   PRO  13           HA       PRO  13 -11.576  -4.676   4.679
  102   1HB   PRO  13          1HB       PRO  13 -11.088  -6.846   2.713
  103   2HB   PRO  13          2HB       PRO  13 -11.462  -5.142   2.438
  104   1HG   PRO  13          1HG       PRO  13  -9.004  -6.074   2.030
  105   2HG   PRO  13          2HG       PRO  13  -9.260  -4.473   2.753
  106   1HD   PRO  13          1HD       PRO  13  -8.508  -7.053   4.076
  107   2HD   PRO  13          2HD       PRO  13  -7.913  -5.409   4.393
  108    H    LEU  14           H        LEU  14 -13.608  -5.343   5.089
  109    HA   LEU  14           HA       LEU  14 -13.966  -8.089   6.049
  110   1HB   LEU  14          1HB       LEU  14 -15.760  -5.672   6.312
  111   2HB   LEU  14          2HB       LEU  14 -16.093  -7.253   6.991
  112    HG   LEU  14           HG       LEU  14 -13.736  -5.526   7.754
  113   1HD1  LEU  14          1HD1      LEU  14 -16.341  -6.015   9.191
  114   2HD1  LEU  14          2HD1      LEU  14 -14.954  -5.143   9.844
  115   3HD1  LEU  14          3HD1      LEU  14 -15.825  -4.499   8.453
  116   1HD2  LEU  14          1HD2      LEU  14 -14.823  -8.077   8.943
  117   2HD2  LEU  14          2HD2      LEU  14 -13.308  -7.900   8.057
  118   3HD2  LEU  14          3HD2      LEU  14 -13.515  -7.107   9.619
  119    H    GLY  15           H        GLY  15 -14.249  -9.298   4.228
  120   1HA   GLY  15          1HA       GLY  15 -16.679  -8.701   2.669
  121   2HA   GLY  15          2HA       GLY  15 -16.007 -10.308   2.914
  122    H    ALA  16           H        ALA  16 -16.634  -9.569   0.389
  123    HA   ALA  16           HA       ALA  16 -13.987  -9.376  -0.848
  124   1HB   ALA  16          1HB       ALA  16 -15.042 -10.310  -2.840
  125   2HB   ALA  16          2HB       ALA  16 -16.613 -10.265  -2.039
  126   3HB   ALA  16          3HB       ALA  16 -15.342 -11.325  -1.430
  127    H    GLU  17           H        GLU  17 -13.465  -7.285  -1.168
  128    HA   GLU  17           HA       GLU  17 -15.493  -5.476  -2.264
  129   1HB   GLU  17          1HB       GLU  17 -12.817  -4.984  -0.964
  130   2HB   GLU  17          2HB       GLU  17 -13.710  -3.717  -1.792
  131   1HG   GLU  17          1HG       GLU  17 -14.103  -3.595   0.580
  132   2HG   GLU  17          2HG       GLU  17 -15.589  -4.047  -0.255
  133    H    GLN  18           H        GLN  18 -15.119  -4.252  -4.132
  134    HA   GLN  18           HA       GLN  18 -13.638  -5.623  -6.164
  135   1HB   GLN  18          1HB       GLN  18 -15.785  -4.569  -6.659
  136   2HB   GLN  18          2HB       GLN  18 -15.129  -2.995  -6.234
  137   1HG   GLN  18          1HG       GLN  18 -13.531  -3.189  -8.098
  138   2HG   GLN  18          2HG       GLN  18 -14.274  -4.726  -8.543
  139   1HE2  GLN  18          1HE2      GLN  18 -14.045  -2.218 -10.041
  140   2HE2  GLN  18          2HE2      GLN  18 -15.661  -1.768 -10.457
  141    H    ASP  19           H        ASP  19 -11.864  -4.915  -7.323
  142    HA   ASP  19           HA       ASP  19  -9.718  -4.140  -7.439
  143   1HB   ASP  19          1HB       ASP  19  -9.564  -1.751  -7.826
  144   2HB   ASP  19          2HB       ASP  19 -11.035  -2.372  -8.566
  145    H    ALA  20           H        ALA  20 -10.550  -4.884  -4.759
  146    HA   ALA  20           HA       ALA  20  -9.078  -2.974  -3.088
  147   1HB   ALA  20          1HB       ALA  20 -11.312  -3.620  -2.319
  148   2HB   ALA  20          2HB       ALA  20 -10.807  -5.309  -2.274
  149   3HB   ALA  20          3HB       ALA  20 -10.063  -4.136  -1.185
  150    H    ILE  21           H        ILE  21  -7.701  -3.974  -1.347
  151    HA   ILE  21           HA       ILE  21  -6.437  -6.490  -2.127
  152    HB   ILE  21           HB       ILE  21  -5.116  -4.791  -3.279
  153   1HG1  ILE  21          1HG1      ILE  21  -3.629  -5.823  -0.853
  154   2HG1  ILE  21          2HG1      ILE  21  -4.022  -6.800  -2.264
  155   1HG2  ILE  21          1HG2      ILE  21  -5.641  -2.884  -1.860
  156   2HG2  ILE  21          2HG2      ILE  21  -4.701  -3.588  -0.544
  157   3HG2  ILE  21          3HG2      ILE  21  -3.896  -3.075  -2.027
  158   1HD1  ILE  21          1HD1      ILE  21  -2.284  -4.344  -2.263
  159   2HD1  ILE  21          2HD1      ILE  21  -1.718  -6.014  -2.313
  160   3HD1  ILE  21          3HD1      ILE  21  -2.652  -5.358  -3.658
  161    H    THR  22           H        THR  22  -5.531  -7.616  -0.440
  162    HA   THR  22           HA       THR  22  -6.261  -6.694   2.218
  163    HB   THR  22           HB       THR  22  -5.637  -8.958   2.962
  164    HG1  THR  22           HG1      THR  22  -4.535  -9.032   0.419
  165   1HG2  THR  22          1HG2      THR  22  -7.411  -8.914   0.518
  166   2HG2  THR  22          2HG2      THR  22  -7.371 -10.195   1.728
  167   3HG2  THR  22          3HG2      THR  22  -7.910  -8.577   2.175
  168    H    LEU  23           H        LEU  23  -4.853  -6.349   3.901
  169    HA   LEU  23           HA       LEU  23  -1.977  -6.490   3.327
  170   1HB   LEU  23          1HB       LEU  23  -3.422  -4.112   4.495
  171   2HB   LEU  23          2HB       LEU  23  -1.678  -4.287   4.431
  172    HG   LEU  23           HG       LEU  23  -3.494  -4.150   2.020
  173   1HD1  LEU  23          1HD1      LEU  23  -1.670  -2.084   3.243
  174   2HD1  LEU  23          2HD1      LEU  23  -2.490  -1.930   1.690
  175   3HD1  LEU  23          3HD1      LEU  23  -3.431  -2.025   3.178
  176   1HD2  LEU  23          1HD2      LEU  23  -0.485  -4.149   2.250
  177   2HD2  LEU  23          2HD2      LEU  23  -1.478  -5.458   1.611
  178   3HD2  LEU  23          3HD2      LEU  23  -1.405  -3.914   0.763
  179    H    ARG  24           H        ARG  24  -0.676  -6.117   5.372
  180    HA   ARG  24           HA       ARG  24  -2.083  -7.098   7.755
  181   1HB   ARG  24          1HB       ARG  24   0.488  -8.208   6.617
  182   2HB   ARG  24          2HB       ARG  24  -0.118  -8.578   8.226
  183   1HG   ARG  24          1HG       ARG  24  -2.122  -9.571   7.250
  184   2HG   ARG  24          2HG       ARG  24  -1.520  -9.194   5.634
  185   1HD   ARG  24          1HD       ARG  24  -1.106 -11.535   6.260
  186   2HD   ARG  24          2HD       ARG  24   0.389 -10.646   5.974
  187    HE   ARG  24           HE       ARG  24  -0.316 -10.599   8.722
  188   1HH1  ARG  24          1HH1      ARG  24   1.026 -12.656   6.250
  189   2HH1  ARG  24          2HH1      ARG  24   1.952 -13.606   7.362
  190   1HH2  ARG  24          1HH2      ARG  24   0.901 -11.846  10.194
  191   2HH2  ARG  24          2HH2      ARG  24   1.881 -13.146   9.603
  192    H    GLU  25           H        GLU  25  -1.335  -6.327   9.693
  193    HA   GLU  25           HA       GLU  25  -0.004  -3.863   9.718
  194   1HB   GLU  25          1HB       GLU  25  -1.570  -4.764  11.479
  195   2HB   GLU  25          2HB       GLU  25  -0.246  -5.765  12.050
  196   1HG   GLU  25          1HG       GLU  25  -0.061  -2.775  11.867
  197   2HG   GLU  25          2HG       GLU  25  -0.654  -3.614  13.298
  198    H    GLY  26           H        GLY  26   2.021  -3.697   8.959
  199   1HA   GLY  26          1HA       GLY  26   4.045  -5.563  10.036
  200   2HA   GLY  26          2HA       GLY  26   4.334  -3.833   9.912
  201    H    GLN  27           H        GLN  27   2.649  -4.157   7.285
  202    HA   GLN  27           HA       GLN  27   4.728  -5.330   5.603
  203   1HB   GLN  27          1HB       GLN  27   1.858  -5.202   5.531
  204   2HB   GLN  27          2HB       GLN  27   2.519  -4.503   4.063
  205   1HG   GLN  27          1HG       GLN  27   3.844  -6.560   3.730
  206   2HG   GLN  27          2HG       GLN  27   3.066  -7.246   5.154
  207   1HE2  GLN  27          1HE2      GLN  27   3.037  -8.099   2.333
  208   2HE2  GLN  27          2HE2      GLN  27   1.368  -8.180   1.892
  209    H    TYR  28           H        TYR  28   5.439  -4.221   3.707
  210    HA   TYR  28           HA       TYR  28   5.189  -1.287   3.857
  211   1HB   TYR  28          1HB       TYR  28   7.652  -2.759   2.913
  212   2HB   TYR  28          2HB       TYR  28   7.496  -1.047   3.291
  213    HD1  TYR  28           HD1      TYR  28   7.401  -0.291   5.627
  214    HD2  TYR  28           HD2      TYR  28   7.985  -4.390   4.651
  215    HE1  TYR  28           HE1      TYR  28   8.151  -0.726   7.929
  216    HE2  TYR  28           HE2      TYR  28   8.737  -4.838   6.950
  217    HH   TYR  28           HH       TYR  28   9.681  -3.627   8.847
  218    H    VAL  29           H        VAL  29   4.825  -0.212   1.942
  219    HA   VAL  29           HA       VAL  29   5.134  -1.590  -0.588
  220    HB   VAL  29           HB       VAL  29   2.996  -2.463  -0.063
  221   1HG1  VAL  29          1HG1      VAL  29   2.446  -0.971   1.790
  222   2HG1  VAL  29          2HG1      VAL  29   2.140   0.340   0.651
  223   3HG1  VAL  29          3HG1      VAL  29   1.104  -1.088   0.650
  224   1HG2  VAL  29          1HG2      VAL  29   3.270  -1.516  -2.345
  225   2HG2  VAL  29          2HG2      VAL  29   1.595  -1.569  -1.797
  226   3HG2  VAL  29          3HG2      VAL  29   2.479  -0.043  -1.786
  227    H    GLU  30           H        GLU  30   5.884  -0.162  -1.996
  228    HA   GLU  30           HA       GLU  30   5.781   2.652  -1.549
  229   1HB   GLU  30          1HB       GLU  30   6.933   2.771  -3.758
  230   2HB   GLU  30          2HB       GLU  30   7.734   1.724  -2.596
  231   1HG   GLU  30          1HG       GLU  30   6.714  -0.228  -3.677
  232   2HG   GLU  30          2HG       GLU  30   5.963   0.838  -4.863
  233    H    VAL  31           H        VAL  31   4.850   4.232  -2.948
  234    HA   VAL  31           HA       VAL  31   2.283   3.375  -4.029
  235    HB   VAL  31           HB       VAL  31   2.263   5.272  -2.499
  236   1HG1  VAL  31          1HG1      VAL  31   4.018   6.639  -4.535
  237   2HG1  VAL  31          2HG1      VAL  31   3.294   7.410  -3.123
  238   3HG1  VAL  31          3HG1      VAL  31   4.495   6.136  -2.913
  239   1HG2  VAL  31          1HG2      VAL  31   1.633   6.068  -5.341
  240   2HG2  VAL  31          2HG2      VAL  31   0.565   5.200  -4.238
  241   3HG2  VAL  31          3HG2      VAL  31   1.022   6.869  -3.893
  242    H    LEU  32           H        LEU  32   1.745   3.409  -6.131
  243    HA   LEU  32           HA       LEU  32   3.839   3.871  -8.078
  244   1HB   LEU  32          1HB       LEU  32   0.996   2.897  -8.345
  245   2HB   LEU  32          2HB       LEU  32   2.080   3.093  -9.704
  246    HG   LEU  32           HG       LEU  32   2.427   1.168  -7.404
  247   1HD1  LEU  32          1HD1      LEU  32   1.751   0.785 -10.316
  248   2HD1  LEU  32          2HD1      LEU  32   2.174  -0.521  -9.208
  249   3HD1  LEU  32          3HD1      LEU  32   0.722   0.439  -8.926
  250   1HD2  LEU  32          1HD2      LEU  32   4.183   1.668  -9.807
  251   2HD2  LEU  32          2HD2      LEU  32   4.599   1.965  -8.119
  252   3HD2  LEU  32          3HD2      LEU  32   4.351   0.314  -8.690
  253    H    ASP  33           H        ASP  33   0.412   4.847  -8.006
  254    HA   ASP  33           HA       ASP  33   1.201   7.399  -9.246
  255   1HB   ASP  33          1HB       ASP  33  -0.249   5.934 -10.636
  256   2HB   ASP  33          2HB       ASP  33  -1.482   6.009  -9.381
  257    H    ALA  34           H        ALA  34  -0.017   9.301  -8.649
  258    HA   ALA  34           HA       ALA  34  -1.618   9.204  -6.236
  259   1HB   ALA  34          1HB       ALA  34   0.968  10.756  -6.256
  260   2HB   ALA  34          2HB       ALA  34   0.689   9.255  -5.374
  261   3HB   ALA  34          3HB       ALA  34  -0.218  10.706  -4.952
  262    H    ALA  35           H        ALA  35  -3.288  10.482  -6.659
  263    HA   ALA  35           HA       ALA  35  -2.887  13.179  -7.606
  264   1HB   ALA  35          1HB       ALA  35  -4.475  11.245  -9.289
  265   2HB   ALA  35          2HB       ALA  35  -2.917  11.951  -9.716
  266   3HB   ALA  35          3HB       ALA  35  -4.339  12.982  -9.559
  267    H    HIS  36           H        HIS  36  -4.770  10.705  -6.178
  268    HA   HIS  36           HA       HIS  36  -6.899  12.647  -5.562
  269   1HB   HIS  36          1HB       HIS  36  -7.040   9.646  -5.848
  270   2HB   HIS  36          2HB       HIS  36  -8.336  10.610  -5.147
  271    HD1  HIS  36           HD1      HIS  36  -9.913  11.755  -6.737
  272    HD2  HIS  36           HD2      HIS  36  -6.589  10.153  -8.647
  273    HE1  HIS  36           HE1      HIS  36 -10.392  11.955  -9.198
  274    HE2  HIS  36           HE2      HIS  36  -8.333  11.050 -10.335
  275    HA   PRO  37           HA       PRO  37  -5.071  12.418  -1.426
  276   1HB   PRO  37          1HB       PRO  37  -7.673  13.786  -0.875
  277   2HB   PRO  37          2HB       PRO  37  -6.055  14.219  -0.340
  278   1HG   PRO  37          1HG       PRO  37  -7.149  15.579  -2.240
  279   2HG   PRO  37          2HG       PRO  37  -5.454  15.104  -2.391
  280   1HD   PRO  37          1HD       PRO  37  -7.869  13.926  -3.722
  281   2HD   PRO  37          2HD       PRO  37  -6.252  14.235  -4.392
  282    H    LEU  38           H        LEU  38  -8.240  11.366  -2.441
  283    HA   LEU  38           HA       LEU  38  -9.151  10.183  -0.072
  284   1HB   LEU  38          1HB       LEU  38 -10.338  10.581  -2.355
  285   2HB   LEU  38          2HB       LEU  38  -9.707   9.001  -2.772
  286    HG   LEU  38           HG       LEU  38 -11.441   9.486  -0.352
  287   1HD1  LEU  38          1HD1      LEU  38 -12.253   8.578  -3.110
  288   2HD1  LEU  38          2HD1      LEU  38 -13.288   8.582  -1.683
  289   3HD1  LEU  38          3HD1      LEU  38 -12.690  10.104  -2.342
  290   1HD2  LEU  38          1HD2      LEU  38 -10.647   6.988  -1.846
  291   2HD2  LEU  38          2HD2      LEU  38 -10.116   7.463  -0.232
  292   3HD2  LEU  38          3HD2      LEU  38 -11.808   7.053  -0.519
  293    H    ARG  39           H        ARG  39  -7.896   8.392  -2.888
  294    HA   ARG  39           HA       ARG  39  -6.292   6.726  -1.110
  295   1HB   ARG  39          1HB       ARG  39  -7.179   4.653  -2.175
  296   2HB   ARG  39          2HB       ARG  39  -8.362   5.503  -1.191
  297   1HG   ARG  39          1HG       ARG  39  -9.324   6.482  -3.234
  298   2HG   ARG  39          2HG       ARG  39  -8.170   5.556  -4.195
  299   1HD   ARG  39          1HD       ARG  39 -10.347   4.450  -4.108
  300   2HD   ARG  39          2HD       ARG  39  -9.099   3.476  -3.332
  301    HE   ARG  39           HE       ARG  39 -10.077   4.691  -1.218
  302   1HH1  ARG  39          1HH1      ARG  39 -11.800   3.367  -3.942
  303   2HH1  ARG  39          2HH1      ARG  39 -13.216   2.979  -3.023
  304   1HH2  ARG  39          1HH2      ARG  39 -11.936   4.182   0.001
  305   2HH2  ARG  39          2HH2      ARG  39 -13.293   3.443  -0.781
  306    H    TRP  40           H        TRP  40  -4.349   6.351  -1.963
  307    HA   TRP  40           HA       TRP  40  -3.912   7.040  -4.768
  308   1HB   TRP  40          1HB       TRP  40  -1.981   6.569  -2.491
  309   2HB   TRP  40          2HB       TRP  40  -1.486   6.922  -4.141
  310    HD1  TRP  40           HD1      TRP  40  -3.406   9.294  -4.855
  311    HE1  TRP  40           HE1      TRP  40  -3.156  11.569  -3.676
  312    HE3  TRP  40           HE3      TRP  40  -0.919   7.765  -0.658
  313    HZ2  TRP  40           HZ2      TRP  40  -2.048  12.581  -1.285
  314    HZ3  TRP  40           HZ3      TRP  40  -0.298   9.449   1.025
  315    HH2  TRP  40           HH2      TRP  40  -0.851  11.808   0.717
  316    H    LEU  41           H        LEU  41  -2.707   5.695  -6.178
  317    HA   LEU  41           HA       LEU  41  -3.312   2.892  -5.872
  318   1HB   LEU  41          1HB       LEU  41  -3.568   4.034  -8.032
  319   2HB   LEU  41          2HB       LEU  41  -1.851   4.379  -8.060
  320    HG   LEU  41           HG       LEU  41  -1.395   1.938  -8.149
  321   1HD1  LEU  41          1HD1      LEU  41  -4.390   1.736  -8.439
  322   2HD1  LEU  41          2HD1      LEU  41  -3.243   0.421  -8.691
  323   3HD1  LEU  41          3HD1      LEU  41  -3.430   1.132  -7.088
  324   1HD2  LEU  41          1HD2      LEU  41  -1.456   3.268 -10.189
  325   2HD2  LEU  41          2HD2      LEU  41  -2.082   1.644 -10.477
  326   3HD2  LEU  41          3HD2      LEU  41  -3.195   3.003 -10.321
  327    H    VAL  42           H        VAL  42  -1.987   1.423  -4.993
  328    HA   VAL  42           HA       VAL  42   0.906   1.994  -4.965
  329    HB   VAL  42           HB       VAL  42   1.078   0.924  -2.773
  330   1HG1  VAL  42          1HG1      VAL  42  -0.928   3.174  -2.856
  331   2HG1  VAL  42          2HG1      VAL  42   0.011   2.690  -1.442
  332   3HG1  VAL  42          3HG1      VAL  42   0.828   3.336  -2.865
  333   1HG2  VAL  42          1HG2      VAL  42  -0.858  -0.566  -2.958
  334   2HG2  VAL  42          2HG2      VAL  42  -0.912   0.385  -1.473
  335   3HG2  VAL  42          3HG2      VAL  42  -1.937   0.825  -2.840
  336    H    ARG  43           H        ARG  43   2.272   0.079  -4.666
  337    HA   ARG  43           HA       ARG  43   1.081  -2.458  -5.503
  338   1HB   ARG  43          1HB       ARG  43   1.732  -1.493  -7.598
  339   2HB   ARG  43          2HB       ARG  43   3.297  -1.013  -6.957
  340   1HG   ARG  43          1HG       ARG  43   3.959  -3.343  -6.780
  341   2HG   ARG  43          2HG       ARG  43   2.373  -3.850  -7.365
  342   1HD   ARG  43          1HD       ARG  43   2.765  -2.879  -9.504
  343   2HD   ARG  43          2HD       ARG  43   4.224  -2.068  -8.935
  344    HE   ARG  43           HE       ARG  43   5.016  -4.501  -8.575
  345   1HH1  ARG  43          1HH1      ARG  43   3.008  -3.362 -11.185
  346   2HH1  ARG  43          2HH1      ARG  43   3.552  -4.569 -12.302
  347   1HH2  ARG  43          1HH2      ARG  43   5.737  -6.094 -10.037
  348   2HH2  ARG  43          2HH2      ARG  43   5.102  -6.124 -11.648
  349    H    THR  44           H        THR  44   1.671  -3.814  -3.938
  350    HA   THR  44           HA       THR  44   3.775  -3.435  -2.143
  351    HB   THR  44           HB       THR  44   3.404  -5.674  -1.372
  352    HG1  THR  44           HG1      THR  44   1.889  -6.122  -3.747
  353   1HG2  THR  44          1HG2      THR  44   1.621  -4.057  -0.883
  354   2HG2  THR  44          2HG2      THR  44   0.791  -4.528  -2.366
  355   3HG2  THR  44          3HG2      THR  44   0.981  -5.691  -1.055
  356    H    LYS  45           H        LYS  45   5.807  -4.383  -1.926
  357    HA   LYS  45           HA       LYS  45   7.139  -4.931  -4.433
  358   1HB   LYS  45          1HB       LYS  45   8.237  -4.795  -1.619
  359   2HB   LYS  45          2HB       LYS  45   9.201  -4.907  -3.084
  360   1HG   LYS  45          1HG       LYS  45   8.384  -2.745  -3.819
  361   2HG   LYS  45          2HG       LYS  45   7.350  -2.635  -2.393
  362   1HD   LYS  45          1HD       LYS  45   9.325  -1.322  -2.012
  363   2HD   LYS  45          2HD       LYS  45   9.391  -2.749  -0.976
  364   1HE   LYS  45          1HE       LYS  45  10.915  -3.832  -2.521
  365   2HE   LYS  45          2HE       LYS  45  10.794  -2.468  -3.632
  366   1HZ   LYS  45          1HZ       LYS  45  11.902  -2.350  -0.877
  367   2HZ   LYS  45          2HZ       LYS  45  12.813  -2.371  -2.303
  368   3HZ   LYS  45          3HZ       LYS  45  11.807  -1.055  -1.963
  369    HA   PRO  46           HA       PRO  46   7.106  -9.324  -3.763
  370   1HB   PRO  46          1HB       PRO  46   8.584 -10.041  -5.908
  371   2HB   PRO  46          2HB       PRO  46   6.933  -9.434  -6.047
  372   1HG   PRO  46          1HG       PRO  46   9.470  -8.130  -6.750
  373   2HG   PRO  46          2HG       PRO  46   7.829  -7.771  -7.307
  374   1HD   PRO  46          1HD       PRO  46   9.363  -6.422  -5.279
  375   2HD   PRO  46          2HD       PRO  46   7.736  -6.032  -5.869
  376    H    THR  47           H        THR  47   8.421 -11.064  -3.144
  377    HA   THR  47           HA       THR  47  11.011 -10.273  -2.055
  378    HB   THR  47           HB       THR  47  10.914 -12.395  -0.806
  379    HG1  THR  47           HG1      THR  47   8.795 -12.829  -2.548
  380   1HG2  THR  47          1HG2      THR  47   9.902 -10.387   0.169
  381   2HG2  THR  47          2HG2      THR  47   8.370 -10.777  -0.612
  382   3HG2  THR  47          3HG2      THR  47   9.015 -11.837   0.640
  383    H    LYS  48           H        LYS  48  10.827 -10.603  -4.879
  384    HA   LYS  48           HA       LYS  48  11.990 -11.508  -6.607
  385   1HB   LYS  48          1HB       LYS  48  13.616 -12.892  -4.467
  386   2HB   LYS  48          2HB       LYS  48  14.086 -12.653  -6.144
  387   1HG   LYS  48          1HG       LYS  48  14.067 -10.215  -5.771
  388   2HG   LYS  48          2HG       LYS  48  13.689 -10.505  -4.071
  389   1HD   LYS  48          1HD       LYS  48  16.146 -11.533  -5.492
  390   2HD   LYS  48          2HD       LYS  48  16.098 -10.089  -4.478
  391   1HE   LYS  48          1HE       LYS  48  15.438 -11.444  -2.561
  392   2HE   LYS  48          2HE       LYS  48  15.441 -12.890  -3.569
  393   1HZ   LYS  48          1HZ       LYS  48  17.812 -12.571  -3.944
  394   2HZ   LYS  48          2HZ       LYS  48  17.803 -11.197  -2.958
  395   3HZ   LYS  48          3HZ       LYS  48  17.474 -12.717  -2.292
  396    H    SER  49           H        SER  49   9.768 -12.994  -5.102
  397    HA   SER  49           HA       SER  49   9.783 -15.306  -6.795
  398   1HB   SER  49          1HB       SER  49  11.181 -16.166  -4.979
  399   2HB   SER  49          2HB       SER  49   9.954 -15.710  -3.799
  400    HG   SER  49           HG       SER  49   9.059 -17.559  -4.180
  401    H    SER  50           H        SER  50   8.334 -13.490  -4.168
  402    HA   SER  50           HA       SER  50   5.735 -14.704  -4.530
  403   1HB   SER  50          1HB       SER  50   6.408 -14.032  -2.287
  404   2HB   SER  50          2HB       SER  50   6.622 -12.366  -2.824
  405    HG   SER  50           HG       SER  50   4.582 -12.089  -2.462
  406    HA   PRO  51           HA       PRO  51   4.587 -12.015  -7.907
  407   1HB   PRO  51          1HB       PRO  51   1.870 -12.467  -7.664
  408   2HB   PRO  51          2HB       PRO  51   2.988 -13.499  -8.561
  409   1HG   PRO  51          1HG       PRO  51   1.930 -13.825  -5.781
  410   2HG   PRO  51          2HG       PRO  51   2.153 -15.049  -7.046
  411   1HD   PRO  51          1HD       PRO  51   3.891 -14.822  -5.039
  412   2HD   PRO  51          2HD       PRO  51   4.451 -15.168  -6.689
  413    H    SER  52           H        SER  52   4.201  -9.889  -7.946
  414    HA   SER  52           HA       SER  52   3.437  -8.534  -5.526
  415   1HB   SER  52          1HB       SER  52   3.949  -7.378  -8.277
  416   2HB   SER  52          2HB       SER  52   3.898  -6.486  -6.756
  417    HG   SER  52           HG       SER  52   5.967  -7.726  -7.873
  418    H    ARG  53           H        ARG  53   1.641  -7.178  -5.235
  419    HA   ARG  53           HA       ARG  53  -0.555  -7.550  -7.162
  420   1HB   ARG  53          1HB       ARG  53  -0.871  -8.995  -5.175
  421   2HB   ARG  53          2HB       ARG  53  -0.809  -7.570  -4.148
  422   1HG   ARG  53          1HG       ARG  53  -3.093  -8.208  -4.455
  423   2HG   ARG  53          2HG       ARG  53  -2.809  -6.695  -5.319
  424   1HD   ARG  53          1HD       ARG  53  -2.582  -7.938  -7.416
  425   2HD   ARG  53          2HD       ARG  53  -2.860  -9.449  -6.552
  426    HE   ARG  53           HE       ARG  53  -5.019  -7.762  -6.037
  427   1HH1  ARG  53          1HH1      ARG  53  -3.582  -9.441  -8.732
  428   2HH1  ARG  53          2HH1      ARG  53  -5.079  -9.618  -9.585
  429   1HH2  ARG  53          1HH2      ARG  53  -6.994  -7.992  -7.155
  430   2HH2  ARG  53          2HH2      ARG  53  -7.017  -8.794  -8.690
  431    H    GLN  54           H        GLN  54  -1.808  -5.781  -7.586
  432    HA   GLN  54           HA       GLN  54  -0.980  -3.268  -6.286
  433   1HB   GLN  54          1HB       GLN  54  -0.429  -3.364  -8.668
  434   2HB   GLN  54          2HB       GLN  54  -2.104  -3.723  -9.058
  435   1HG   GLN  54          1HG       GLN  54  -2.708  -1.510  -8.040
  436   2HG   GLN  54          2HG       GLN  54  -0.981  -1.164  -7.960
  437   1HE2  GLN  54          1HE2      GLN  54  -3.729  -1.603 -10.033
  438   2HE2  GLN  54          2HE2      GLN  54  -3.006  -0.972 -11.471
  439    H    GLY  55           H        GLY  55  -2.436  -2.185  -5.142
  440   1HA   GLY  55          1HA       GLY  55  -4.808  -2.974  -4.225
  441   2HA   GLY  55          2HA       GLY  55  -5.269  -2.349  -5.802
  442    H    TRP  56           H        TRP  56  -6.593  -0.855  -4.497
  443    HA   TRP  56           HA       TRP  56  -5.096   1.585  -3.967
  444   1HB   TRP  56          1HB       TRP  56  -8.077   1.072  -4.050
  445   2HB   TRP  56          2HB       TRP  56  -7.329   2.650  -3.829
  446    HD1  TRP  56           HD1      TRP  56  -7.828  -0.068  -6.498
  447    HE1  TRP  56           HE1      TRP  56  -7.476   0.996  -8.814
  448    HE3  TRP  56           HE3      TRP  56  -6.216   4.556  -5.031
  449    HZ2  TRP  56           HZ2      TRP  56  -6.627   3.469  -9.880
  450    HZ3  TRP  56           HZ3      TRP  56  -5.654   6.213  -6.761
  451    HH2  TRP  56           HH2      TRP  56  -5.856   5.679  -9.135
  452    H    VAL  57           H        VAL  57  -4.632   2.330  -1.992
  453    HA   VAL  57           HA       VAL  57  -6.017   1.111   0.306
  454    HB   VAL  57           HB       VAL  57  -3.947   1.356   1.606
  455   1HG1  VAL  57          1HG1      VAL  57  -3.637  -0.220  -0.948
  456   2HG1  VAL  57          2HG1      VAL  57  -2.670  -0.445   0.510
  457   3HG1  VAL  57          3HG1      VAL  57  -4.403  -0.771   0.541
  458   1HG2  VAL  57          1HG2      VAL  57  -2.748   2.231  -1.022
  459   2HG2  VAL  57          2HG2      VAL  57  -2.929   3.212   0.433
  460   3HG2  VAL  57          3HG2      VAL  57  -1.826   1.836   0.429
  461    H    SER  58           H        SER  58  -5.954   2.447   2.296
  462    HA   SER  58           HA       SER  58  -6.523   5.226   1.614
  463   1HB   SER  58          1HB       SER  58  -7.067   3.663   4.147
  464   2HB   SER  58          2HB       SER  58  -7.563   5.330   3.860
  465    HG   SER  58           HG       SER  58  -9.197   4.608   2.771
  466    HA   PRO  59           HA       PRO  59  -2.460   6.268   3.261
  467   1HB   PRO  59          1HB       PRO  59  -2.685   8.961   2.919
  468   2HB   PRO  59          2HB       PRO  59  -2.276   7.848   1.610
  469   1HG   PRO  59          1HG       PRO  59  -4.917   9.075   2.297
  470   2HG   PRO  59          2HG       PRO  59  -4.165   8.854   0.706
  471   1HD   PRO  59          1HD       PRO  59  -6.096   7.209   1.625
  472   2HD   PRO  59          2HD       PRO  59  -4.781   6.633   0.584
  473    H    ALA  60           H        ALA  60  -5.536   7.074   4.467
  474    HA   ALA  60           HA       ALA  60  -4.859   8.838   6.560
  475   1HB   ALA  60          1HB       ALA  60  -7.156   8.529   5.802
  476   2HB   ALA  60          2HB       ALA  60  -7.140   6.871   6.404
  477   3HB   ALA  60          3HB       ALA  60  -7.015   8.220   7.533
  478    H    TYR  61           H        TYR  61  -4.745   5.350   6.271
  479    HA   TYR  61           HA       TYR  61  -3.903   5.137   9.079
  480   1HB   TYR  61          1HB       TYR  61  -4.716   2.930   7.175
  481   2HB   TYR  61          2HB       TYR  61  -4.379   2.753   8.895
  482    HD1  TYR  61           HD1      TYR  61  -5.855   4.362  10.437
  483    HD2  TYR  61           HD2      TYR  61  -6.926   3.068   6.529
  484    HE1  TYR  61           HE1      TYR  61  -8.221   4.798  10.948
  485    HE2  TYR  61           HE2      TYR  61  -9.294   3.500   7.028
  486    HH   TYR  61           HH       TYR  61 -10.756   3.672   9.021
  487    H    LEU  62           H        LEU  62  -2.517   5.661   6.220
  488    HA   LEU  62           HA       LEU  62  -0.227   3.880   6.716
  489   1HB   LEU  62          1HB       LEU  62  -1.454   4.991   4.265
  490   2HB   LEU  62          2HB       LEU  62   0.296   4.904   4.280
  491    HG   LEU  62           HG       LEU  62   0.192   2.494   4.691
  492   1HD1  LEU  62          1HD1      LEU  62  -2.800   2.855   4.510
  493   2HD1  LEU  62          2HD1      LEU  62  -1.944   1.306   4.579
  494   3HD1  LEU  62          3HD1      LEU  62  -1.884   2.413   5.962
  495   1HD2  LEU  62          1HD2      LEU  62   0.240   3.320   2.390
  496   2HD2  LEU  62          2HD2      LEU  62  -0.678   1.821   2.517
  497   3HD2  LEU  62          3HD2      LEU  62  -1.522   3.362   2.367
  498    H    ASP  63           H        ASP  63   1.863   4.712   6.761
  499    HA   ASP  63           HA       ASP  63   2.052   7.642   7.003
  500   1HB   ASP  63          1HB       ASP  63   3.512   5.551   8.629
  501   2HB   ASP  63          2HB       ASP  63   3.792   7.286   8.729
  502    H    ARG  64           H        ARG  64   3.379   8.544   5.589
  503    HA   ARG  64           HA       ARG  64   4.924   7.068   3.753
  504   1HB   ARG  64          1HB       ARG  64   4.028   9.288   3.249
  505   2HB   ARG  64          2HB       ARG  64   5.064  10.001   4.477
  506   1HG   ARG  64          1HG       ARG  64   7.036   9.262   3.188
  507   2HG   ARG  64          2HG       ARG  64   5.952   8.660   1.931
  508   1HD   ARG  64          1HD       ARG  64   6.836  10.885   1.393
  509   2HD   ARG  64          2HD       ARG  64   5.082  10.898   1.577
  510    HE   ARG  64           HE       ARG  64   6.742  11.672   3.860
  511   1HH1  ARG  64          1HH1      ARG  64   4.516  12.557   1.328
  512   2HH1  ARG  64          2HH1      ARG  64   4.147  14.102   2.019
  513   1HH2  ARG  64          1HH2      ARG  64   6.259  13.701   4.775
  514   2HH2  ARG  64          2HH2      ARG  64   5.135  14.752   3.979
  515    H    ARG  65           H        ARG  65   7.107   6.654   3.617
  516    HA   ARG  65           HA       ARG  65   8.811   7.529   5.833
  517   1HB   ARG  65          1HB       ARG  65   7.981   5.328   6.477
  518   2HB   ARG  65          2HB       ARG  65   8.503   4.659   4.937
  519   1HG   ARG  65          1HG       ARG  65  10.069   4.050   6.657
  520   2HG   ARG  65          2HG       ARG  65  10.837   5.174   5.535
  521   1HD   ARG  65          1HD       ARG  65  10.435   7.010   7.098
  522   2HD   ARG  65          2HD       ARG  65   9.655   5.892   8.217
  523    HE   ARG  65           HE       ARG  65  12.344   5.151   7.509
  524   1HH1  ARG  65          1HH1      ARG  65  10.361   7.030   9.673
  525   2HH1  ARG  65          2HH1      ARG  65  11.547   7.065  10.935
  526   1HH2  ARG  65          1HH2      ARG  65  13.911   5.194   9.165
  527   2HH2  ARG  65          2HH2      ARG  65  13.563   6.022  10.646
  528    H    LEU  66           H        LEU  66  10.730   8.218   5.172
  529    HA   LEU  66           HA       LEU  66  11.708   7.347   2.533
  530   1HB   LEU  66          1HB       LEU  66  11.846  10.068   3.819
  531   2HB   LEU  66          2HB       LEU  66  12.848   9.613   2.456
  532    HG   LEU  66           HG       LEU  66  10.624   9.075   1.261
  533   1HD1  LEU  66          1HD1      LEU  66   9.636  10.842   3.493
  534   2HD1  LEU  66          2HD1      LEU  66   8.727  10.429   2.039
  535   3HD1  LEU  66          3HD1      LEU  66   9.168   9.169   3.190
  536   1HD2  LEU  66          1HD2      LEU  66  12.115  10.936   0.690
  537   2HD2  LEU  66          2HD2      LEU  66  10.418  11.379   0.516
  538   3HD2  LEU  66          3HD2      LEU  66  11.333  11.931   1.918
  539    H    LYS  67           H        LYS  67  13.221   5.875   3.057
  540    HA   LYS  67           HA       LYS  67  15.099   6.441   5.222
  541   1HB   LYS  67          1HB       LYS  67  15.870   4.098   4.806
  542   2HB   LYS  67          2HB       LYS  67  14.178   4.230   5.265
  543   1HG   LYS  67          1HG       LYS  67  13.534   4.012   2.906
  544   2HG   LYS  67          2HG       LYS  67  15.235   3.835   2.473
  545   1HD   LYS  67          1HD       LYS  67  14.224   1.653   2.588
  546   2HD   LYS  67          2HD       LYS  67  15.350   1.834   3.934
  547   1HE   LYS  67          1HE       LYS  67  13.499   2.328   5.437
  548   2HE   LYS  67          2HE       LYS  67  12.361   2.210   4.095
  549   1HZ   LYS  67          1HZ       LYS  67  12.975  -0.117   3.835
  550   2HZ   LYS  67          2HZ       LYS  67  14.059   0.002   5.130
  551   3HZ   LYS  67          3HZ       LYS  67  12.398   0.180   5.397
  552    H    LEU  68           H        LEU  68  17.190   6.947   4.924
  553    HA   LEU  68           HA       LEU  68  18.060   7.645   2.268
  554   1HB   LEU  68          1HB       LEU  68  18.527   8.859   4.526
  555   2HB   LEU  68          2HB       LEU  68  19.821   7.690   4.694
  556    HG   LEU  68           HG       LEU  68  19.574   9.497   2.294
  557   1HD1  LEU  68          1HD1      LEU  68  19.758  10.851   4.334
  558   2HD1  LEU  68          2HD1      LEU  68  21.204   9.952   4.789
  559   3HD1  LEU  68          3HD1      LEU  68  21.208  10.952   3.337
  560   1HD2  LEU  68          1HD2      LEU  68  21.855   7.889   3.440
  561   2HD2  LEU  68          2HD2      LEU  68  20.962   7.538   1.960
  562   3HD2  LEU  68          3HD2      LEU  68  21.970   8.981   2.060

  No H/Q in entry =         562
  Start of MODEL    5
    1    H1   ILE   1           H1       ILE   1  11.425   9.739  -7.558
    2    H2   ILE   1           H2       ILE   1  12.014  10.218  -6.044
    3    H3   ILE   1           H3       ILE   1  13.081   9.645  -7.225
    4    HA   ILE   1           HA       ILE   1  12.073   7.467  -7.141
    5    HB   ILE   1           HB       ILE   1  12.756   6.841  -4.824
    6   1HG1  ILE   1          1HG1      ILE   1  13.294   9.807  -4.528
    7   2HG1  ILE   1          2HG1      ILE   1  11.981   8.942  -3.735
    8   1HG2  ILE   1          1HG2      ILE   1  14.635   8.656  -6.332
    9   2HG2  ILE   1          2HG2      ILE   1  15.113   7.475  -5.110
   10   3HG2  ILE   1          3HG2      ILE   1  14.383   6.934  -6.623
   11   1HD1  ILE   1          1HD1      ILE   1  13.617   7.575  -2.537
   12   2HD1  ILE   1          2HD1      ILE   1  14.922   8.466  -3.320
   13   3HD1  ILE   1          3HD1      ILE   1  13.828   9.297  -2.214
   14    H    PHE   2           H        PHE   2  10.839   5.981  -5.628
   15    HA   PHE   2           HA       PHE   2   8.182   7.083  -5.286
   16   1HB   PHE   2          1HB       PHE   2   9.120   4.254  -4.784
   17   2HB   PHE   2          2HB       PHE   2   7.460   4.799  -5.003
   18    HD1  PHE   2           HD1      PHE   2  10.497   3.748  -6.628
   19    HD2  PHE   2           HD2      PHE   2   6.728   5.628  -7.238
   20    HE1  PHE   2           HE1      PHE   2  10.691   3.343  -9.047
   21    HE2  PHE   2           HE2      PHE   2   6.914   5.225  -9.658
   22    HZ   PHE   2           HZ       PHE   2   8.898   4.082 -10.566
   23    H    ASP   3           H        ASP   3   6.923   6.293  -3.294
   24    HA   ASP   3           HA       ASP   3   8.601   6.638  -0.896
   25   1HB   ASP   3          1HB       ASP   3   5.806   7.704  -1.356
   26   2HB   ASP   3          2HB       ASP   3   6.732   7.867   0.134
   27    H    ILE   4           H        ILE   4   8.671   4.727   0.106
   28    HA   ILE   4           HA       ILE   4   6.454   2.883   0.007
   29    HB   ILE   4           HB       ILE   4   9.000   2.624   1.608
   30   1HG1  ILE   4          1HG1      ILE   4   8.449   1.605  -1.189
   31   2HG1  ILE   4          2HG1      ILE   4   9.434   3.016  -0.823
   32   1HG2  ILE   4          1HG2      ILE   4   7.205   1.109   2.257
   33   2HG2  ILE   4          2HG2      ILE   4   7.045   0.567   0.586
   34   3HG2  ILE   4          3HG2      ILE   4   8.525   0.230   1.486
   35   1HD1  ILE   4          1HD1      ILE   4  10.988   1.592   0.422
   36   2HD1  ILE   4          2HD1      ILE   4  10.007   0.184   0.016
   37   3HD1  ILE   4          3HD1      ILE   4  10.825   1.087  -1.260
   38    H    TYR   5           H        TYR   5   4.793   3.062   1.333
   39    HA   TYR   5           HA       TYR   5   5.095   4.419   3.901
   40   1HB   TYR   5          1HB       TYR   5   2.662   3.530   2.343
   41   2HB   TYR   5          2HB       TYR   5   2.581   4.254   3.945
   42    HD1  TYR   5           HD1      TYR   5   3.859   4.918   0.506
   43    HD2  TYR   5           HD2      TYR   5   2.427   6.564   4.158
   44    HE1  TYR   5           HE1      TYR   5   3.847   7.155  -0.513
   45    HE2  TYR   5           HE2      TYR   5   2.412   8.807   3.150
   46    HH   TYR   5           HH       TYR   5   3.512  10.001   1.300
   47    H    VAL   6           H        VAL   6   4.671   3.467   5.865
   48    HA   VAL   6           HA       VAL   6   4.593   0.533   5.845
   49    HB   VAL   6           HB       VAL   6   6.487   1.475   7.037
   50   1HG1  VAL   6          1HG1      VAL   6   4.437   2.897   8.729
   51   2HG1  VAL   6          2HG1      VAL   6   6.166   2.828   9.068
   52   3HG1  VAL   6          3HG1      VAL   6   5.585   3.644   7.616
   53   1HG2  VAL   6          1HG2      VAL   6   5.533  -0.598   7.889
   54   2HG2  VAL   6          2HG2      VAL   6   6.183   0.379   9.205
   55   3HG2  VAL   6          3HG2      VAL   6   4.442   0.318   8.930
   56    H    VAL   7           H        VAL   7   2.955  -0.593   6.743
   57    HA   VAL   7           HA       VAL   7   0.633   0.931   7.643
   58    HB   VAL   7           HB       VAL   7   0.830  -2.034   7.103
   59   1HG1  VAL   7          1HG1      VAL   7  -1.549  -0.202   7.396
   60   2HG1  VAL   7          2HG1      VAL   7  -1.619  -1.908   6.957
   61   3HG1  VAL   7          3HG1      VAL   7  -1.028  -1.431   8.548
   62   1HG2  VAL   7          1HG2      VAL   7  -0.081   0.203   5.293
   63   2HG2  VAL   7          2HG2      VAL   7   1.343  -0.816   5.074
   64   3HG2  VAL   7          3HG2      VAL   7  -0.271  -1.517   4.953
   65    H    THR   8           H        THR   8   0.352   1.269   9.739
   66    HA   THR   8           HA       THR   8   1.275  -0.790  11.637
   67    HB   THR   8           HB       THR   8   1.641   0.995  13.288
   68    HG1  THR   8           HG1      THR   8   1.749   3.196  12.055
   69   1HG2  THR   8          1HG2      THR   8   3.520   0.271  11.897
   70   2HG2  THR   8          2HG2      THR   8   3.089   1.472  10.679
   71   3HG2  THR   8          3HG2      THR   8   3.640   1.990  12.273
   72    H    ALA   9           H        ALA   9  -1.392   0.160  10.245
   73    HA   ALA   9           HA       ALA   9  -3.011   0.146  12.710
   74   1HB   ALA   9          1HB       ALA   9  -3.733   1.306  10.021
   75   2HB   ALA   9          2HB       ALA   9  -3.228   2.225  11.438
   76   3HB   ALA   9          3HB       ALA   9  -4.743   1.325  11.467
   77    H    ASP  10           H        ASP  10  -1.917  -2.090  10.986
   78    HA   ASP  10           HA       ASP  10  -2.569  -4.158  10.322
   79   1HB   ASP  10          1HB       ASP  10  -5.195  -3.386  11.613
   80   2HB   ASP  10          2HB       ASP  10  -4.751  -5.014  11.111
   81    H    TYR  11           H        TYR  11  -5.759  -2.652   9.963
   82    HA   TYR  11           HA       TYR  11  -7.096  -2.296   8.163
   83   1HB   TYR  11          1HB       TYR  11  -5.138  -0.837   7.511
   84   2HB   TYR  11          2HB       TYR  11  -4.561  -2.175   6.524
   85    HD1  TYR  11           HD1      TYR  11  -5.657  -2.754   4.448
   86    HD2  TYR  11           HD2      TYR  11  -7.149   0.400   6.883
   87    HE1  TYR  11           HE1      TYR  11  -7.055  -1.981   2.579
   88    HE2  TYR  11           HE2      TYR  11  -8.552   1.181   5.021
   89    HH   TYR  11           HH       TYR  11  -8.589   1.037   2.557
   90    H    LEU  12           H        LEU  12  -7.918  -4.445   8.338
   91    HA   LEU  12           HA       LEU  12  -6.963  -6.250   6.215
   92   1HB   LEU  12          1HB       LEU  12  -8.123  -6.846   8.919
   93   2HB   LEU  12          2HB       LEU  12  -8.138  -8.040   7.636
   94    HG   LEU  12           HG       LEU  12  -5.610  -7.734   7.515
   95   1HD1  LEU  12          1HD1      LEU  12  -6.139  -6.380  10.155
   96   2HD1  LEU  12          2HD1      LEU  12  -4.557  -6.913   9.585
   97   3HD1  LEU  12          3HD1      LEU  12  -5.428  -5.647   8.718
   98   1HD2  LEU  12          1HD2      LEU  12  -6.879  -8.883   9.998
   99   2HD2  LEU  12          2HD2      LEU  12  -6.620  -9.714   8.464
  100   3HD2  LEU  12          3HD2      LEU  12  -5.239  -9.225   9.445
  101    HA   PRO  13           HA       PRO  13 -11.016  -5.132   4.500
  102   1HB   PRO  13          1HB       PRO  13 -10.137  -7.150   2.503
  103   2HB   PRO  13          2HB       PRO  13 -10.748  -5.512   2.252
  104   1HG   PRO  13          1HG       PRO  13  -8.161  -6.054   1.941
  105   2HG   PRO  13          2HG       PRO  13  -8.685  -4.536   2.697
  106   1HD   PRO  13          1HD       PRO  13  -7.609  -7.020   3.976
  107   2HD   PRO  13          2HD       PRO  13  -7.294  -5.318   4.376
  108    H    LEU  14           H        LEU  14 -12.904  -6.057   5.015
  109    HA   LEU  14           HA       LEU  14 -12.918  -8.852   5.833
  110   1HB   LEU  14          1HB       LEU  14 -15.016  -6.693   6.050
  111   2HB   LEU  14          2HB       LEU  14 -15.218  -8.331   6.643
  112    HG   LEU  14           HG       LEU  14 -13.100  -6.413   7.618
  113   1HD1  LEU  14          1HD1      LEU  14 -15.723  -7.206   8.876
  114   2HD1  LEU  14          2HD1      LEU  14 -14.468  -6.230   9.638
  115   3HD1  LEU  14          3HD1      LEU  14 -15.319  -5.620   8.219
  116   1HD2  LEU  14          1HD2      LEU  14 -12.483  -8.765   7.838
  117   2HD2  LEU  14          2HD2      LEU  14 -12.800  -8.038   9.413
  118   3HD2  LEU  14          3HD2      LEU  14 -14.004  -9.092   8.670
  119    H    GLY  15           H        GLY  15 -12.919 -10.062   3.993
  120   1HA   GLY  15          1HA       GLY  15 -15.352  -9.849   2.339
  121   2HA   GLY  15          2HA       GLY  15 -14.454 -11.333   2.620
  122    H    ALA  16           H        ALA  16 -15.138 -10.558   0.068
  123    HA   ALA  16           HA       ALA  16 -12.488 -10.004  -1.068
  124   1HB   ALA  16          1HB       ALA  16 -14.893 -11.314  -2.331
  125   2HB   ALA  16          2HB       ALA  16 -13.470 -12.141  -1.699
  126   3HB   ALA  16          3HB       ALA  16 -13.323 -11.082  -3.102
  127    H    GLU  17           H        GLU  17 -12.344  -7.826  -1.284
  128    HA   GLU  17           HA       GLU  17 -14.569  -6.393  -2.548
  129   1HB   GLU  17          1HB       GLU  17 -12.144  -5.421  -1.033
  130   2HB   GLU  17          2HB       GLU  17 -13.246  -4.344  -1.880
  131   1HG   GLU  17          1HG       GLU  17 -13.809  -4.382   0.447
  132   2HG   GLU  17          2HG       GLU  17 -15.091  -5.170  -0.471
  133    H    GLN  18           H        GLN  18 -14.387  -5.385  -4.490
  134    HA   GLN  18           HA       GLN  18 -12.325  -6.268  -6.256
  135   1HB   GLN  18          1HB       GLN  18 -14.434  -4.149  -6.713
  136   2HB   GLN  18          2HB       GLN  18 -13.489  -4.962  -7.953
  137   1HG   GLN  18          1HG       GLN  18 -14.538  -7.083  -7.376
  138   2HG   GLN  18          2HG       GLN  18 -15.470  -6.283  -6.110
  139   1HE2  GLN  18          1HE2      GLN  18 -16.398  -7.757  -8.440
  140   2HE2  GLN  18          2HE2      GLN  18 -17.388  -6.666  -9.340
  141    H    ASP  19           H        ASP  19 -10.659  -5.126  -7.187
  142    HA   ASP  19           HA       ASP  19  -8.949  -3.633  -7.298
  143   1HB   ASP  19          1HB       ASP  19 -11.178  -1.687  -6.665
  144   2HB   ASP  19          2HB       ASP  19  -9.565  -1.220  -7.200
  145    H    ALA  20           H        ALA  20  -9.753  -4.849  -4.664
  146    HA   ALA  20           HA       ALA  20  -8.378  -2.912  -2.916
  147   1HB   ALA  20          1HB       ALA  20 -10.693  -3.220  -2.232
  148   2HB   ALA  20          2HB       ALA  20 -10.444  -4.963  -2.129
  149   3HB   ALA  20          3HB       ALA  20  -9.592  -3.883  -1.025
  150    H    ILE  21           H        ILE  21  -6.639  -3.591  -1.775
  151    HA   ILE  21           HA       ILE  21  -5.815  -6.397  -2.148
  152    HB   ILE  21           HB       ILE  21  -4.317  -4.889  -3.310
  153   1HG1  ILE  21          1HG1      ILE  21  -3.026  -5.872  -0.752
  154   2HG1  ILE  21          2HG1      ILE  21  -3.370  -6.877  -2.155
  155   1HG2  ILE  21          1HG2      ILE  21  -4.779  -2.861  -2.042
  156   2HG2  ILE  21          2HG2      ILE  21  -3.932  -3.527  -0.646
  157   3HG2  ILE  21          3HG2      ILE  21  -3.044  -3.166  -2.126
  158   1HD1  ILE  21          1HD1      ILE  21  -1.852  -5.495  -3.496
  159   2HD1  ILE  21          2HD1      ILE  21  -1.485  -4.534  -2.063
  160   3HD1  ILE  21          3HD1      ILE  21  -1.043  -6.241  -2.117
  161    H    THR  22           H        THR  22  -5.188  -7.579  -0.408
  162    HA   THR  22           HA       THR  22  -5.950  -6.657   2.189
  163    HB   THR  22           HB       THR  22  -5.181  -8.849   2.992
  164    HG1  THR  22           HG1      THR  22  -4.335 -10.323   1.389
  165   1HG2  THR  22          1HG2      THR  22  -6.752  -8.995   0.415
  166   2HG2  THR  22          2HG2      THR  22  -6.684 -10.259   1.643
  167   3HG2  THR  22          3HG2      THR  22  -7.413  -8.699   2.024
  168    H    LEU  23           H        LEU  23  -4.696  -6.001   3.874
  169    HA   LEU  23           HA       LEU  23  -1.783  -5.954   3.481
  170   1HB   LEU  23          1HB       LEU  23  -3.459  -3.654   4.490
  171   2HB   LEU  23          2HB       LEU  23  -1.708  -3.682   4.422
  172    HG   LEU  23           HG       LEU  23  -3.528  -3.832   2.017
  173   1HD1  LEU  23          1HD1      LEU  23  -3.643  -1.656   3.124
  174   2HD1  LEU  23          2HD1      LEU  23  -1.885  -1.534   3.071
  175   3HD1  LEU  23          3HD1      LEU  23  -2.813  -1.547   1.572
  176   1HD2  LEU  23          1HD2      LEU  23  -1.391  -4.958   1.675
  177   2HD2  LEU  23          2HD2      LEU  23  -1.475  -3.464   0.741
  178   3HD2  LEU  23          3HD2      LEU  23  -0.535  -3.520   2.232
  179    H    ARG  24           H        ARG  24  -0.537  -6.118   5.331
  180    HA   ARG  24           HA       ARG  24  -2.011  -6.694   7.818
  181   1HB   ARG  24          1HB       ARG  24   0.505  -8.007   6.773
  182   2HB   ARG  24          2HB       ARG  24  -0.173  -8.284   8.372
  183   1HG   ARG  24          1HG       ARG  24  -2.223  -9.157   7.326
  184   2HG   ARG  24          2HG       ARG  24  -1.483  -8.935   5.739
  185   1HD   ARG  24          1HD       ARG  24   0.300 -10.485   6.342
  186   2HD   ARG  24          2HD       ARG  24  -0.404 -10.686   7.945
  187    HE   ARG  24           HE       ARG  24  -2.254 -11.323   5.867
  188   1HH1  ARG  24          1HH1      ARG  24   0.441 -12.551   7.704
  189   2HH1  ARG  24          2HH1      ARG  24   0.001 -14.212   7.482
  190   1HH2  ARG  24          1HH2      ARG  24  -2.840 -13.507   5.570
  191   2HH2  ARG  24          2HH2      ARG  24  -1.863 -14.755   6.267
  192    H    GLU  25           H        GLU  25  -1.166  -5.918   9.740
  193    HA   GLU  25           HA       GLU  25   0.214  -3.509   9.700
  194   1HB   GLU  25          1HB       GLU  25  -1.203  -4.461  11.576
  195   2HB   GLU  25          2HB       GLU  25   0.194  -5.422  12.035
  196   1HG   GLU  25          1HG       GLU  25   0.232  -2.422  11.857
  197   2HG   GLU  25          2HG       GLU  25  -0.143  -3.309  13.333
  198    H    GLY  26           H        GLY  26   2.153  -3.387   8.713
  199   1HA   GLY  26          1HA       GLY  26   4.268  -5.221   9.659
  200   2HA   GLY  26          2HA       GLY  26   4.545  -3.497   9.460
  201    H    GLN  27           H        GLN  27   2.691  -3.790   6.982
  202    HA   GLN  27           HA       GLN  27   4.579  -5.092   5.175
  203   1HB   GLN  27          1HB       GLN  27   1.719  -4.798   5.304
  204   2HB   GLN  27          2HB       GLN  27   2.318  -4.189   3.773
  205   1HG   GLN  27          1HG       GLN  27   3.059  -6.883   4.855
  206   2HG   GLN  27          2HG       GLN  27   1.643  -6.616   3.842
  207   1HE2  GLN  27          1HE2      GLN  27   2.435  -7.933   2.207
  208   2HE2  GLN  27          2HE2      GLN  27   3.739  -7.453   1.182
  209    H    TYR  28           H        TYR  28   5.725  -3.992   3.685
  210    HA   TYR  28           HA       TYR  28   5.451  -1.066   3.660
  211   1HB   TYR  28          1HB       TYR  28   7.785  -2.716   2.680
  212   2HB   TYR  28          2HB       TYR  28   7.747  -0.977   2.935
  213    HD1  TYR  28           HD1      TYR  28   8.068  -4.241   4.531
  214    HD2  TYR  28           HD2      TYR  28   7.817  -0.047   5.200
  215    HE1  TYR  28           HE1      TYR  28   8.897  -4.563   6.823
  216    HE2  TYR  28           HE2      TYR  28   8.648  -0.357   7.494
  217    HH   TYR  28           HH       TYR  28  10.055  -3.233   8.567
  218    H    VAL  29           H        VAL  29   5.122   0.050   1.763
  219    HA   VAL  29           HA       VAL  29   5.310  -1.263  -0.794
  220    HB   VAL  29           HB       VAL  29   3.184  -2.154  -0.212
  221   1HG1  VAL  29          1HG1      VAL  29   2.366   0.654   0.528
  222   2HG1  VAL  29          2HG1      VAL  29   1.294  -0.746   0.488
  223   3HG1  VAL  29          3HG1      VAL  29   2.629  -0.691   1.639
  224   1HG2  VAL  29          1HG2      VAL  29   3.429  -1.237  -2.500
  225   2HG2  VAL  29          2HG2      VAL  29   1.760  -1.251  -1.932
  226   3HG2  VAL  29          3HG2      VAL  29   2.673   0.257  -1.948
  227    H    GLU  30           H        GLU  30   6.009   0.209  -2.192
  228    HA   GLU  30           HA       GLU  30   5.963   3.004  -1.634
  229   1HB   GLU  30          1HB       GLU  30   7.022   3.193  -3.894
  230   2HB   GLU  30          2HB       GLU  30   7.858   2.108  -2.792
  231   1HG   GLU  30          1HG       GLU  30   6.787   0.193  -3.889
  232   2HG   GLU  30          2HG       GLU  30   5.997   1.295  -5.014
  233    H    VAL  31           H        VAL  31   5.012   4.662  -2.920
  234    HA   VAL  31           HA       VAL  31   2.402   3.888  -3.982
  235    HB   VAL  31           HB       VAL  31   2.538   5.688  -2.269
  236   1HG1  VAL  31          1HG1      VAL  31   4.650   6.691  -2.968
  237   2HG1  VAL  31          2HG1      VAL  31   3.895   7.257  -4.457
  238   3HG1  VAL  31          3HG1      VAL  31   3.362   7.893  -2.901
  239   1HG2  VAL  31          1HG2      VAL  31   1.484   6.537  -4.967
  240   2HG2  VAL  31          2HG2      VAL  31   0.627   5.565  -3.771
  241   3HG2  VAL  31          3HG2      VAL  31   1.026   7.247  -3.419
  242    H    LEU  32           H        LEU  32   1.737   4.284  -6.053
  243    HA   LEU  32           HA       LEU  32   3.845   4.936  -7.974
  244   1HB   LEU  32          1HB       LEU  32   1.070   3.869  -8.491
  245   2HB   LEU  32          2HB       LEU  32   2.372   3.994  -9.657
  246    HG   LEU  32           HG       LEU  32   2.362   2.183  -7.240
  247   1HD1  LEU  32          1HD1      LEU  32   0.760   1.528  -8.994
  248   2HD1  LEU  32          2HD1      LEU  32   2.077   1.516 -10.167
  249   3HD1  LEU  32          3HD1      LEU  32   2.084   0.377  -8.821
  250   1HD2  LEU  32          1HD2      LEU  32   4.332   2.450  -9.510
  251   2HD2  LEU  32          2HD2      LEU  32   4.608   2.909  -7.830
  252   3HD2  LEU  32          3HD2      LEU  32   4.372   1.213  -8.255
  253    H    ASP  33           H        ASP  33   0.342   5.549  -7.883
  254    HA   ASP  33           HA       ASP  33   0.881   8.342  -8.645
  255   1HB   ASP  33          1HB       ASP  33  -1.363   6.571  -9.641
  256   2HB   ASP  33          2HB       ASP  33  -1.172   8.281 -10.020
  257    H    ALA  34           H        ALA  34  -1.025   9.790  -8.192
  258    HA   ALA  34           HA       ALA  34  -2.272   9.000  -5.639
  259   1HB   ALA  34          1HB       ALA  34  -0.654  10.825  -5.413
  260   2HB   ALA  34          2HB       ALA  34  -1.565  11.776  -6.585
  261   3HB   ALA  34          3HB       ALA  34  -2.291  11.359  -5.034
  262    H    ALA  35           H        ALA  35  -2.793  11.198  -8.400
  263    HA   ALA  35           HA       ALA  35  -4.660  11.830  -9.527
  264   1HB   ALA  35          1HB       ALA  35  -4.782   9.428 -10.014
  265   2HB   ALA  35          2HB       ALA  35  -5.768   9.194  -8.570
  266   3HB   ALA  35          3HB       ALA  35  -6.381  10.165  -9.909
  267    H    HIS  36           H        HIS  36  -6.551  10.014  -7.177
  268    HA   HIS  36           HA       HIS  36  -7.748  12.545  -6.300
  269   1HB   HIS  36          1HB       HIS  36  -8.811   9.718  -6.130
  270   2HB   HIS  36          2HB       HIS  36  -9.650  11.147  -5.535
  271    HD1  HIS  36           HD1      HIS  36 -10.873  12.587  -7.235
  272    HD2  HIS  36           HD2      HIS  36  -8.683   9.510  -8.966
  273    HE1  HIS  36           HE1      HIS  36 -11.587  12.528  -9.645
  274    HE2  HIS  36           HE2      HIS  36 -10.307  10.606 -10.654
  275    HA   PRO  37           HA       PRO  37  -5.543  12.203  -2.422
  276   1HB   PRO  37          1HB       PRO  37  -7.932  13.745  -1.500
  277   2HB   PRO  37          2HB       PRO  37  -6.225  14.077  -1.235
  278   1HG   PRO  37          1HG       PRO  37  -7.511  15.483  -2.972
  279   2HG   PRO  37          2HG       PRO  37  -5.899  14.885  -3.380
  280   1HD   PRO  37          1HD       PRO  37  -8.575  13.860  -4.270
  281   2HD   PRO  37          2HD       PRO  37  -7.076  14.053  -5.206
  282    H    LEU  38           H        LEU  38  -8.893  11.345  -2.890
  283    HA   LEU  38           HA       LEU  38  -9.519  10.280  -0.393
  284   1HB   LEU  38          1HB       LEU  38 -11.002  10.647  -2.470
  285   2HB   LEU  38          2HB       LEU  38 -10.459   9.059  -2.973
  286    HG   LEU  38           HG       LEU  38 -11.773   9.501  -0.303
  287   1HD1  LEU  38          1HD1      LEU  38 -13.114   8.849  -2.923
  288   2HD1  LEU  38          2HD1      LEU  38 -13.881   8.809  -1.336
  289   3HD1  LEU  38          3HD1      LEU  38 -13.302  10.338  -1.997
  290   1HD2  LEU  38          1HD2      LEU  38 -11.419   7.086  -2.074
  291   2HD2  LEU  38          2HD2      LEU  38 -10.590   7.406  -0.551
  292   3HD2  LEU  38          3HD2      LEU  38 -12.327   7.112  -0.563
  293    H    ARG  39           H        ARG  39  -8.276   8.556  -3.262
  294    HA   ARG  39           HA       ARG  39  -6.985   6.640  -1.455
  295   1HB   ARG  39          1HB       ARG  39  -7.682   4.770  -2.919
  296   2HB   ARG  39          2HB       ARG  39  -9.044   5.564  -2.139
  297   1HG   ARG  39          1HG       ARG  39  -9.368   6.869  -4.260
  298   2HG   ARG  39          2HG       ARG  39  -8.164   5.813  -5.003
  299   1HD   ARG  39          1HD       ARG  39 -10.412   5.018  -5.479
  300   2HD   ARG  39          2HD       ARG  39  -9.547   3.866  -4.461
  301    HE   ARG  39           HE       ARG  39 -10.852   5.280  -2.626
  302   1HH1  ARG  39          1HH1      ARG  39 -11.957   3.936  -5.645
  303   2HH1  ARG  39          2HH1      ARG  39 -13.583   3.707  -5.096
  304   1HH2  ARG  39          1HH2      ARG  39 -12.989   4.981  -1.894
  305   2HH2  ARG  39          2HH2      ARG  39 -14.170   4.300  -2.963
  306    H    TRP  40           H        TRP  40  -5.005   5.938  -2.103
  307    HA   TRP  40           HA       TRP  40  -3.989   7.067  -4.626
  308   1HB   TRP  40          1HB       TRP  40  -2.506   6.345  -2.089
  309   2HB   TRP  40          2HB       TRP  40  -1.740   6.913  -3.567
  310    HD1  TRP  40           HD1      TRP  40  -4.494   9.053  -3.720
  311    HE1  TRP  40           HE1      TRP  40  -4.160  11.269  -2.460
  312    HE3  TRP  40           HE3      TRP  40  -0.541   7.719  -0.763
  313    HZ2  TRP  40           HZ2      TRP  40  -2.448  12.317  -0.474
  314    HZ3  TRP  40           HZ3      TRP  40   0.386   9.389   0.789
  315    HH2  TRP  40           HH2      TRP  40  -0.549  11.641   0.928
  316    H    LEU  41           H        LEU  41  -2.529   5.826  -5.888
  317    HA   LEU  41           HA       LEU  41  -3.142   2.993  -5.866
  318   1HB   LEU  41          1HB       LEU  41  -3.224   4.088  -7.993
  319   2HB   LEU  41          2HB       LEU  41  -1.624   4.770  -7.772
  320    HG   LEU  41           HG       LEU  41  -0.655   2.500  -7.929
  321   1HD1  LEU  41          1HD1      LEU  41  -2.583   1.230  -7.130
  322   2HD1  LEU  41          2HD1      LEU  41  -3.473   1.657  -8.591
  323   3HD1  LEU  41          3HD1      LEU  41  -2.033   0.645  -8.700
  324   1HD2  LEU  41          1HD2      LEU  41  -0.837   3.935  -9.908
  325   2HD2  LEU  41          2HD2      LEU  41  -0.985   2.227 -10.321
  326   3HD2  LEU  41          3HD2      LEU  41  -2.422   3.247 -10.255
  327    H    VAL  42           H        VAL  42  -1.813   1.413  -5.165
  328    HA   VAL  42           HA       VAL  42   1.041   1.953  -4.859
  329    HB   VAL  42           HB       VAL  42   1.083   1.064  -2.563
  330   1HG1  VAL  42          1HG1      VAL  42  -0.709   3.463  -2.915
  331   2HG1  VAL  42          2HG1      VAL  42   0.151   3.034  -1.436
  332   3HG1  VAL  42          3HG1      VAL  42   1.054   3.470  -2.886
  333   1HG2  VAL  42          1HG2      VAL  42  -1.925   1.187  -2.759
  334   2HG2  VAL  42          2HG2      VAL  42  -0.945  -0.272  -2.614
  335   3HG2  VAL  42          3HG2      VAL  42  -1.008   0.884  -1.283
  336    H    ARG  43           H        ARG  43   2.326   0.186  -5.129
  337    HA   ARG  43           HA       ARG  43   0.990  -2.429  -5.387
  338   1HB   ARG  43          1HB       ARG  43   2.566  -2.987  -7.201
  339   2HB   ARG  43          2HB       ARG  43   1.550  -1.611  -7.611
  340   1HG   ARG  43          1HG       ARG  43   3.363  -0.084  -7.161
  341   2HG   ARG  43          2HG       ARG  43   4.383  -1.415  -6.615
  342   1HD   ARG  43          1HD       ARG  43   3.227  -1.196  -9.388
  343   2HD   ARG  43          2HD       ARG  43   4.844  -0.650  -8.945
  344    HE   ARG  43           HE       ARG  43   4.345  -3.386  -8.248
  345   1HH1  ARG  43          1HH1      ARG  43   5.324  -1.235 -10.806
  346   2HH1  ARG  43          2HH1      ARG  43   6.206  -2.452 -11.667
  347   1HH2  ARG  43          1HH2      ARG  43   5.504  -4.995  -9.371
  348   2HH2  ARG  43          2HH2      ARG  43   6.308  -4.591 -10.851
  349    H    THR  44           H        THR  44   1.678  -3.764  -3.855
  350    HA   THR  44           HA       THR  44   3.944  -3.263  -2.247
  351    HB   THR  44           HB       THR  44   3.528  -5.384  -1.196
  352    HG1  THR  44           HG1      THR  44   2.990  -6.941  -2.534
  353   1HG2  THR  44          1HG2      THR  44   1.943  -3.589  -0.681
  354   2HG2  THR  44          2HG2      THR  44   0.913  -4.112  -2.015
  355   3HG2  THR  44          3HG2      THR  44   1.157  -5.166  -0.622
  356    H    LYS  45           H        LYS  45   5.861  -4.537  -2.012
  357    HA   LYS  45           HA       LYS  45   6.981  -5.286  -4.571
  358   1HB   LYS  45          1HB       LYS  45   8.269  -5.300  -1.836
  359   2HB   LYS  45          2HB       LYS  45   9.101  -5.438  -3.379
  360   1HG   LYS  45          1HG       LYS  45   8.410  -3.181  -3.972
  361   2HG   LYS  45          2HG       LYS  45   7.539  -3.040  -2.444
  362   1HD   LYS  45          1HD       LYS  45   9.636  -1.931  -2.184
  363   2HD   LYS  45          2HD       LYS  45   9.713  -3.435  -1.266
  364   1HE   LYS  45          1HE       LYS  45  10.938  -4.494  -3.095
  365   2HE   LYS  45          2HE       LYS  45  10.843  -3.001  -4.029
  366   1HZ   LYS  45          1HZ       LYS  45  12.136  -1.892  -2.310
  367   2HZ   LYS  45          2HZ       LYS  45  12.237  -3.332  -1.426
  368   3HZ   LYS  45          3HZ       LYS  45  12.982  -3.215  -2.939
  369    HA   PRO  46           HA       PRO  46   6.262  -9.630  -4.051
  370   1HB   PRO  46          1HB       PRO  46   8.093 -10.599  -5.803
  371   2HB   PRO  46          2HB       PRO  46   6.586  -9.832  -6.316
  372   1HG   PRO  46          1HG       PRO  46   9.344  -8.682  -6.171
  373   2HG   PRO  46          2HG       PRO  46   8.114  -8.487  -7.433
  374   1HD   PRO  46          1HD       PRO  46   8.592  -6.605  -5.537
  375   2HD   PRO  46          2HD       PRO  46   6.992  -6.856  -6.263
  376    H    THR  47           H        THR  47   6.974 -11.180  -2.705
  377    HA   THR  47           HA       THR  47   9.575 -10.787  -1.436
  378    HB   THR  47           HB       THR  47   7.689 -10.996   0.071
  379    HG1  THR  47           HG1      THR  47   8.672 -13.450   0.653
  380   1HG2  THR  47          1HG2      THR  47   7.225 -13.641  -1.301
  381   2HG2  THR  47          2HG2      THR  47   6.467 -13.175   0.220
  382   3HG2  THR  47          3HG2      THR  47   6.136 -12.255  -1.248
  383    H    LYS  48           H        LYS  48   9.540 -11.826  -4.085
  384    HA   LYS  48           HA       LYS  48  10.560 -13.419  -5.338
  385   1HB   LYS  48          1HB       LYS  48  11.561 -14.505  -2.700
  386   2HB   LYS  48          2HB       LYS  48  12.219 -14.859  -4.291
  387   1HG   LYS  48          1HG       LYS  48  12.839 -12.490  -4.537
  388   2HG   LYS  48          2HG       LYS  48  12.233 -12.183  -2.909
  389   1HD   LYS  48          1HD       LYS  48  13.858 -13.832  -2.035
  390   2HD   LYS  48          2HD       LYS  48  14.501 -14.023  -3.667
  391   1HE   LYS  48          1HE       LYS  48  15.888 -12.496  -2.393
  392   2HE   LYS  48          2HE       LYS  48  15.079 -11.636  -3.703
  393   1HZ   LYS  48          1HZ       LYS  48  14.189 -11.661  -0.869
  394   2HZ   LYS  48          2HZ       LYS  48  15.027 -10.397  -1.618
  395   3HZ   LYS  48          3HZ       LYS  48  13.466 -10.798  -2.132
  396    H    SER  49           H        SER  49   7.917 -13.916  -3.742
  397    HA   SER  49           HA       SER  49   7.568 -16.607  -4.783
  398   1HB   SER  49          1HB       SER  49   6.600 -17.468  -2.691
  399   2HB   SER  49          2HB       SER  49   8.288 -17.008  -2.472
  400    HG   SER  49           HG       SER  49   6.459 -16.268  -0.928
  401    H    SER  50           H        SER  50   6.370 -13.546  -3.865
  402    HA   SER  50           HA       SER  50   3.713 -14.283  -4.891
  403   1HB   SER  50          1HB       SER  50   4.301 -12.389  -2.604
  404   2HB   SER  50          2HB       SER  50   2.710 -12.649  -3.318
  405    HG   SER  50           HG       SER  50   2.607 -14.605  -2.429
  406    HA   PRO  51           HA       PRO  51   4.871 -11.153  -7.899
  407   1HB   PRO  51          1HB       PRO  51   2.340 -10.979  -9.008
  408   2HB   PRO  51          2HB       PRO  51   3.575 -12.148  -9.482
  409   1HG   PRO  51          1HG       PRO  51   1.259 -12.491  -7.621
  410   2HG   PRO  51          2HG       PRO  51   1.891 -13.610  -8.844
  411   1HD   PRO  51          1HD       PRO  51   2.424 -13.960  -6.253
  412   2HD   PRO  51          2HD       PRO  51   3.657 -14.285  -7.491
  413    H    SER  52           H        SER  52   4.483  -8.946  -8.219
  414    HA   SER  52           HA       SER  52   3.528  -7.532  -5.960
  415   1HB   SER  52          1HB       SER  52   5.190  -6.366  -7.074
  416   2HB   SER  52          2HB       SER  52   4.542  -6.751  -8.667
  417    HG   SER  52           HG       SER  52   3.221  -5.058  -6.819
  418    H    ARG  53           H        ARG  53   1.557  -6.907  -5.446
  419    HA   ARG  53           HA       ARG  53  -0.498  -6.814  -7.556
  420   1HB   ARG  53          1HB       ARG  53  -0.819  -7.552  -4.647
  421   2HB   ARG  53          2HB       ARG  53  -2.133  -7.412  -5.808
  422   1HG   ARG  53          1HG       ARG  53  -0.919  -9.175  -7.170
  423   2HG   ARG  53          2HG       ARG  53   0.078  -9.435  -5.737
  424   1HD   ARG  53          1HD       ARG  53  -2.925  -9.568  -5.742
  425   2HD   ARG  53          2HD       ARG  53  -1.884 -10.975  -5.958
  426    HE   ARG  53           HE       ARG  53  -1.626  -9.315  -3.548
  427   1HH1  ARG  53          1HH1      ARG  53  -2.379 -12.361  -5.062
  428   2HH1  ARG  53          2HH1      ARG  53  -2.408 -13.242  -3.572
  429   1HH2  ARG  53          1HH2      ARG  53  -1.658 -10.468  -1.581
  430   2HH2  ARG  53          2HH2      ARG  53  -2.000 -12.166  -1.593
  431    H    GLN  54           H        GLN  54  -1.400  -4.888  -7.892
  432    HA   GLN  54           HA       GLN  54  -0.918  -2.770  -5.927
  433   1HB   GLN  54          1HB       GLN  54  -1.612  -1.247  -7.807
  434   2HB   GLN  54          2HB       GLN  54  -0.143  -2.169  -8.092
  435   1HG   GLN  54          1HG       GLN  54  -1.253  -3.655  -9.560
  436   2HG   GLN  54          2HG       GLN  54  -2.838  -3.034  -9.099
  437   1HE2  GLN  54          1HE2      GLN  54   0.041  -2.468 -10.950
  438   2HE2  GLN  54          2HE2      GLN  54  -0.576  -1.164 -11.900
  439    H    GLY  55           H        GLY  55  -2.500  -1.750  -4.861
  440   1HA   GLY  55          1HA       GLY  55  -4.867  -2.731  -4.164
  441   2HA   GLY  55          2HA       GLY  55  -5.273  -2.017  -5.718
  442    H    TRP  56           H        TRP  56  -6.529  -0.330  -5.117
  443    HA   TRP  56           HA       TRP  56  -5.242   1.957  -3.975
  444   1HB   TRP  56          1HB       TRP  56  -8.165   1.532  -4.633
  445   2HB   TRP  56          2HB       TRP  56  -7.395   3.078  -4.297
  446    HD1  TRP  56           HD1      TRP  56  -7.408   0.295  -6.971
  447    HE1  TRP  56           HE1      TRP  56  -6.668   1.329  -9.208
  448    HE3  TRP  56           HE3      TRP  56  -6.207   4.990  -5.340
  449    HZ2  TRP  56           HZ2      TRP  56  -5.706   3.806 -10.158
  450    HZ3  TRP  56           HZ3      TRP  56  -5.385   6.632  -6.979
  451    HH2  TRP  56           HH2      TRP  56  -5.140   6.051  -9.337
  452    H    VAL  57           H        VAL  57  -5.123   2.512  -1.901
  453    HA   VAL  57           HA       VAL  57  -7.124   1.448  -0.028
  454    HB   VAL  57           HB       VAL  57  -5.378   1.075   1.659
  455   1HG1  VAL  57          1HG1      VAL  57  -4.896  -0.394  -0.931
  456   2HG1  VAL  57          2HG1      VAL  57  -4.394  -0.942   0.667
  457   3HG1  VAL  57          3HG1      VAL  57  -6.109  -0.794   0.284
  458   1HG2  VAL  57          1HG2      VAL  57  -3.732   2.685   0.854
  459   2HG2  VAL  57          2HG2      VAL  57  -3.015   1.082   1.020
  460   3HG2  VAL  57          3HG2      VAL  57  -3.449   1.693  -0.577
  461    H    SER  58           H        SER  58  -6.878   2.588   2.176
  462    HA   SER  58           HA       SER  58  -6.985   5.434   1.660
  463   1HB   SER  58          1HB       SER  58  -7.546   3.856   4.181
  464   2HB   SER  58          2HB       SER  58  -7.838   5.582   3.978
  465    HG   SER  58           HG       SER  58  -9.515   3.700   3.451
  466    HA   PRO  59           HA       PRO  59  -2.705   5.784   3.064
  467   1HB   PRO  59          1HB       PRO  59  -2.427   8.425   2.519
  468   2HB   PRO  59          2HB       PRO  59  -2.348   7.177   1.269
  469   1HG   PRO  59          1HG       PRO  59  -4.634   8.952   2.032
  470   2HG   PRO  59          2HG       PRO  59  -4.057   8.504   0.416
  471   1HD   PRO  59          1HD       PRO  59  -6.202   7.327   1.581
  472   2HD   PRO  59          2HD       PRO  59  -5.127   6.465   0.462
  473    H    ALA  60           H        ALA  60  -5.522   6.988   4.401
  474    HA   ALA  60           HA       ALA  60  -4.496   8.847   6.283
  475   1HB   ALA  60          1HB       ALA  60  -6.863   8.773   5.659
  476   2HB   ALA  60          2HB       ALA  60  -7.014   7.195   6.432
  477   3HB   ALA  60          3HB       ALA  60  -6.646   8.619   7.403
  478    H    TYR  61           H        TYR  61  -4.164   5.510   6.043
  479    HA   TYR  61           HA       TYR  61  -3.536   5.286   8.915
  480   1HB   TYR  61          1HB       TYR  61  -4.278   3.028   7.043
  481   2HB   TYR  61          2HB       TYR  61  -4.038   2.922   8.784
  482    HD1  TYR  61           HD1      TYR  61  -5.698   3.960  10.321
  483    HD2  TYR  61           HD2      TYR  61  -6.353   3.742   6.124
  484    HE1  TYR  61           HE1      TYR  61  -8.093   4.388  10.679
  485    HE2  TYR  61           HE2      TYR  61  -8.750   4.170   6.469
  486    HH   TYR  61           HH       TYR  61 -10.424   3.899   8.308
  487    H    LEU  62           H        LEU  62  -2.108   5.774   6.072
  488    HA   LEU  62           HA       LEU  62   0.191   4.033   6.671
  489   1HB   LEU  62          1HB       LEU  62  -1.052   4.924   4.132
  490   2HB   LEU  62          2HB       LEU  62   0.696   4.811   4.154
  491    HG   LEU  62           HG       LEU  62   0.515   2.443   4.846
  492   1HD1  LEU  62          1HD1      LEU  62  -2.442   2.881   4.432
  493   2HD1  LEU  62          2HD1      LEU  62  -1.655   1.314   4.686
  494   3HD1  LEU  62          3HD1      LEU  62  -1.636   2.533   5.971
  495   1HD2  LEU  62          1HD2      LEU  62   0.759   3.023   2.491
  496   2HD2  LEU  62          2HD2      LEU  62  -0.247   1.588   2.689
  497   3HD2  LEU  62          3HD2      LEU  62  -0.993   3.145   2.331
  498    H    ASP  63           H        ASP  63   2.150   4.909   6.998
  499    HA   ASP  63           HA       ASP  63   2.394   7.835   6.735
  500   1HB   ASP  63          1HB       ASP  63   3.710   6.022   8.772
  501   2HB   ASP  63          2HB       ASP  63   3.959   7.760   8.640
  502    H    ARG  64           H        ARG  64   4.050   8.603   5.551
  503    HA   ARG  64           HA       ARG  64   5.485   6.975   3.820
  504   1HB   ARG  64          1HB       ARG  64   6.739   8.908   3.205
  505   2HB   ARG  64          2HB       ARG  64   5.098   9.431   3.552
  506   1HG   ARG  64          1HG       ARG  64   5.845  10.146   5.795
  507   2HG   ARG  64          2HG       ARG  64   7.496   9.718   5.348
  508   1HD   ARG  64          1HD       ARG  64   7.099  12.109   5.063
  509   2HD   ARG  64          2HD       ARG  64   7.428  11.326   3.518
  510    HE   ARG  64           HE       ARG  64   4.631  11.654   4.233
  511   1HH1  ARG  64          1HH1      ARG  64   7.381  12.864   2.466
  512   2HH1  ARG  64          2HH1      ARG  64   6.424  13.803   1.369
  513   1HH2  ARG  64          1HH2      ARG  64   3.367  12.886   2.793
  514   2HH2  ARG  64          2HH2      ARG  64   4.142  13.816   1.555
  515    H    ARG  65           H        ARG  65   7.657   6.358   3.719
  516    HA   ARG  65           HA       ARG  65   9.241   6.540   6.162
  517   1HB   ARG  65          1HB       ARG  65   7.828   4.431   6.202
  518   2HB   ARG  65          2HB       ARG  65   8.767   3.880   4.821
  519   1HG   ARG  65          1HG       ARG  65  10.789   3.910   6.121
  520   2HG   ARG  65          2HG       ARG  65   9.937   4.620   7.494
  521   1HD   ARG  65          1HD       ARG  65   8.473   2.582   7.510
  522   2HD   ARG  65          2HD       ARG  65   9.558   1.875   6.314
  523    HE   ARG  65           HE       ARG  65  11.325   2.346   8.137
  524   1HH1  ARG  65          1HH1      ARG  65   8.023   1.393   8.702
  525   2HH1  ARG  65          2HH1      ARG  65   8.374   0.588  10.194
  526   1HH2  ARG  65          1HH2      ARG  65  11.798   1.286  10.100
  527   2HH2  ARG  65          2HH2      ARG  65  10.520   0.527  10.989
  528    H    LEU  66           H        LEU  66  11.296   6.976   5.703
  529    HA   LEU  66           HA       LEU  66  12.218   6.569   2.942
  530   1HB   LEU  66          1HB       LEU  66  12.233   8.881   3.739
  531   2HB   LEU  66          2HB       LEU  66  13.245   8.421   5.094
  532    HG   LEU  66           HG       LEU  66  15.029   7.777   3.466
  533   1HD1  LEU  66          1HD1      LEU  66  13.597   7.400   1.521
  534   2HD1  LEU  66          2HD1      LEU  66  13.208   9.120   1.474
  535   3HD1  LEU  66          3HD1      LEU  66  14.861   8.582   1.174
  536   1HD2  LEU  66          1HD2      LEU  66  15.057   9.932   4.610
  537   2HD2  LEU  66          2HD2      LEU  66  15.701  10.071   2.974
  538   3HD2  LEU  66          3HD2      LEU  66  14.067  10.631   3.327
  539    H    LYS  67           H        LYS  67  13.582   4.958   2.579
  540    HA   LYS  67           HA       LYS  67  14.807   3.511   4.728
  541   1HB   LYS  67          1HB       LYS  67  15.132   3.240   1.734
  542   2HB   LYS  67          2HB       LYS  67  15.758   2.106   2.924
  543   1HG   LYS  67          1HG       LYS  67  13.476   1.621   3.659
  544   2HG   LYS  67          2HG       LYS  67  12.854   2.751   2.456
  545   1HD   LYS  67          1HD       LYS  67  12.663   0.530   1.573
  546   2HD   LYS  67          2HD       LYS  67  13.942   1.366   0.691
  547   1HE   LYS  67          1HE       LYS  67  14.588  -0.925   1.248
  548   2HE   LYS  67          2HE       LYS  67  15.627   0.252   2.050
  549   1HZ   LYS  67          1HZ       LYS  67  14.332  -0.054   4.076
  550   2HZ   LYS  67          2HZ       LYS  67  13.356  -1.198   3.301
  551   3HZ   LYS  67          3HZ       LYS  67  14.998  -1.519   3.555
  552    H    LEU  68           H        LEU  68  16.687   3.941   5.652
  553    HA   LEU  68           HA       LEU  68  18.788   5.258   4.075
  554   1HB   LEU  68          1HB       LEU  68  17.960   5.976   6.888
  555   2HB   LEU  68          2HB       LEU  68  19.395   6.584   6.088
  556    HG   LEU  68           HG       LEU  68  16.570   7.069   5.139
  557   1HD1  LEU  68          1HD1      LEU  68  18.465   8.860   6.653
  558   2HD1  LEU  68          2HD1      LEU  68  16.932   9.366   5.942
  559   3HD1  LEU  68          3HD1      LEU  68  16.949   8.185   7.252
  560   1HD2  LEU  68          1HD2      LEU  68  19.215   8.221   4.254
  561   2HD2  LEU  68          2HD2      LEU  68  18.188   7.122   3.331
  562   3HD2  LEU  68          3HD2      LEU  68  17.629   8.754   3.695

  No H/Q in entry =         562
  Start of MODEL    6
    1    H1   ILE   1           H1       ILE   1  11.091   8.723  -8.077
    2    H2   ILE   1           H2       ILE   1  11.228  10.038  -7.022
    3    H3   ILE   1           H3       ILE   1  12.619   9.307  -7.648
    4    HA   ILE   1           HA       ILE   1  12.123   7.269  -6.473
    5    HB   ILE   1           HB       ILE   1  12.469   8.094  -4.158
    6   1HG1  ILE   1          1HG1      ILE   1  12.159  10.836  -5.403
    7   2HG1  ILE   1          2HG1      ILE   1  10.981  10.076  -4.339
    8   1HG2  ILE   1          1HG2      ILE   1  14.347   7.850  -5.696
    9   2HG2  ILE   1          2HG2      ILE   1  14.103   9.500  -6.266
   10   3HG2  ILE   1          3HG2      ILE   1  14.599   9.208  -4.600
   11   1HD1  ILE   1          1HD1      ILE   1  13.802  10.811  -3.593
   12   2HD1  ILE   1          2HD1      ILE   1  12.346  11.706  -3.158
   13   3HD1  ILE   1          3HD1      ILE   1  12.602  10.079  -2.526
   14    H    PHE   2           H        PHE   2  10.776   6.032  -5.200
   15    HA   PHE   2           HA       PHE   2   8.009   6.963  -5.052
   16   1HB   PHE   2          1HB       PHE   2   9.087   4.184  -4.546
   17   2HB   PHE   2          2HB       PHE   2   7.401   4.639  -4.768
   18    HD1  PHE   2           HD1      PHE   2   6.786   5.704  -7.046
   19    HD2  PHE   2           HD2      PHE   2  10.338   3.467  -6.345
   20    HE1  PHE   2           HE1      PHE   2   6.996   5.289  -9.463
   21    HE2  PHE   2           HE2      PHE   2  10.557   3.051  -8.761
   22    HZ   PHE   2           HZ       PHE   2   8.885   3.961 -10.322
   23    H    ASP   3           H        ASP   3   6.740   6.210  -3.087
   24    HA   ASP   3           HA       ASP   3   8.373   6.542  -0.653
   25   1HB   ASP   3          1HB       ASP   3   7.052   8.566  -1.166
   26   2HB   ASP   3          2HB       ASP   3   5.579   7.600  -1.132
   27    H    ILE   4           H        ILE   4   8.410   4.664   0.393
   28    HA   ILE   4           HA       ILE   4   6.243   2.769   0.195
   29    HB   ILE   4           HB       ILE   4   8.729   2.596   1.895
   30   1HG1  ILE   4          1HG1      ILE   4   8.276   1.507  -0.891
   31   2HG1  ILE   4          2HG1      ILE   4   9.236   2.936  -0.522
   32   1HG2  ILE   4          1HG2      ILE   4   6.935   1.059   2.524
   33   2HG2  ILE   4          2HG2      ILE   4   6.872   0.456   0.867
   34   3HG2  ILE   4          3HG2      ILE   4   8.317   0.198   1.845
   35   1HD1  ILE   4          1HD1      ILE   4  10.748   1.535   0.823
   36   2HD1  ILE   4          2HD1      ILE   4   9.811   0.116   0.354
   37   3HD1  ILE   4          3HD1      ILE   4  10.678   1.044  -0.870
   38    H    TYR   5           H        TYR   5   4.569   2.678   1.518
   39    HA   TYR   5           HA       TYR   5   4.633   4.144   4.048
   40   1HB   TYR   5          1HB       TYR   5   2.365   2.937   2.453
   41   2HB   TYR   5          2HB       TYR   5   2.151   3.675   4.036
   42    HD1  TYR   5           HD1      TYR   5   2.128   6.051   4.297
   43    HD2  TYR   5           HD2      TYR   5   3.030   4.327   0.513
   44    HE1  TYR   5           HE1      TYR   5   1.871   8.256   3.238
   45    HE2  TYR   5           HE2      TYR   5   2.777   6.527  -0.555
   46    HH   TYR   5           HH       TYR   5   2.586   9.427   1.226
   47    H    VAL   6           H        VAL   6   3.841   3.163   6.008
   48    HA   VAL   6           HA       VAL   6   4.135   0.228   6.040
   49    HB   VAL   6           HB       VAL   6   6.060   1.334   7.107
   50   1HG1  VAL   6          1HG1      VAL   6   4.001   2.468   8.994
   51   2HG1  VAL   6          2HG1      VAL   6   5.747   2.540   9.230
   52   3HG1  VAL   6          3HG1      VAL   6   5.007   3.373   7.865
   53   1HG2  VAL   6          1HG2      VAL   6   4.249  -0.116   9.036
   54   2HG2  VAL   6          2HG2      VAL   6   5.366  -0.861   7.892
   55   3HG2  VAL   6          3HG2      VAL   6   5.988   0.106   9.230
   56    H    VAL   7           H        VAL   7   2.653  -0.948   7.159
   57    HA   VAL   7           HA       VAL   7   0.251   0.455   8.007
   58    HB   VAL   7           HB       VAL   7   0.721  -2.526   7.939
   59   1HG1  VAL   7          1HG1      VAL   7  -1.806  -0.879   7.956
   60   2HG1  VAL   7          2HG1      VAL   7  -1.732  -2.635   7.802
   61   3HG1  VAL   7          3HG1      VAL   7  -1.183  -1.855   9.287
   62   1HG2  VAL   7          1HG2      VAL   7   1.127  -1.577   5.728
   63   2HG2  VAL   7          2HG2      VAL   7  -0.367  -2.513   5.749
   64   3HG2  VAL   7          3HG2      VAL   7  -0.429  -0.750   5.789
   65    H    THR   8           H        THR   8  -0.056   1.030  10.047
   66    HA   THR   8           HA       THR   8   1.117  -0.629  12.181
   67    HB   THR   8           HB       THR   8   1.509   1.386  13.517
   68    HG1  THR   8           HG1      THR   8   0.422   3.103  12.930
   69   1HG2  THR   8          1HG2      THR   8   3.327   0.555  12.104
   70   2HG2  THR   8          2HG2      THR   8   2.760   1.565  10.774
   71   3HG2  THR   8          3HG2      THR   8   3.383   2.312  12.244
   72    H    ALA   9           H        ALA   9  -1.644  -0.242  10.862
   73    HA   ALA   9           HA       ALA   9  -3.112   0.008  13.397
   74   1HB   ALA   9          1HB       ALA   9  -3.988   1.182  10.761
   75   2HB   ALA   9          2HB       ALA   9  -3.400   2.088  12.154
   76   3HB   ALA   9          3HB       ALA   9  -4.917   1.196  12.260
   77    H    ASP  10           H        ASP  10  -2.258  -2.003  11.010
   78    HA   ASP  10           HA       ASP  10  -3.013  -3.997  10.228
   79   1HB   ASP  10          1HB       ASP  10  -3.359  -4.602  12.530
   80   2HB   ASP  10          2HB       ASP  10  -4.875  -3.709  12.590
   81    H    TYR  11           H        TYR  11  -3.818  -3.625   8.238
   82    HA   TYR  11           HA       TYR  11  -6.570  -2.630   8.007
   83   1HB   TYR  11          1HB       TYR  11  -4.713  -1.473   6.749
   84   2HB   TYR  11          2HB       TYR  11  -4.534  -2.941   5.793
   85    HD1  TYR  11           HD1      TYR  11  -6.314  -3.629   4.230
   86    HD2  TYR  11           HD2      TYR  11  -6.549   0.029   6.390
   87    HE1  TYR  11           HE1      TYR  11  -8.071  -2.843   2.699
   88    HE2  TYR  11           HE2      TYR  11  -8.306   0.825   4.865
   89    HH   TYR  11           HH       TYR  11  -9.117   0.400   2.609
   90    H    LEU  12           H        LEU  12  -7.753  -4.481   8.396
   91    HA   LEU  12           HA       LEU  12  -7.338  -6.708   6.515
   92   1HB   LEU  12          1HB       LEU  12  -8.502  -6.659   9.290
   93   2HB   LEU  12          2HB       LEU  12  -8.714  -8.020   8.206
   94    HG   LEU  12           HG       LEU  12  -6.041  -6.978   9.152
   95   1HD1  LEU  12          1HD1      LEU  12  -7.652  -9.363  10.048
   96   2HD1  LEU  12          2HD1      LEU  12  -5.979  -9.041  10.502
   97   3HD1  LEU  12          3HD1      LEU  12  -7.258  -7.934  11.006
   98   1HD2  LEU  12          1HD2      LEU  12  -6.792  -9.457   7.603
   99   2HD2  LEU  12          2HD2      LEU  12  -5.923  -8.057   6.974
  100   3HD2  LEU  12          3HD2      LEU  12  -5.181  -9.073   8.209
  101    HA   PRO  13           HA       PRO  13 -11.140  -4.931   4.766
  102   1HB   PRO  13          1HB       PRO  13 -10.764  -7.251   2.953
  103   2HB   PRO  13          2HB       PRO  13 -11.027  -5.549   2.562
  104   1HG   PRO  13          1HG       PRO  13  -8.624  -6.657   2.264
  105   2HG   PRO  13          2HG       PRO  13  -8.792  -4.999   2.873
  106   1HD   PRO  13          1HD       PRO  13  -8.213  -7.521   4.374
  107   2HD   PRO  13          2HD       PRO  13  -7.534  -5.895   4.598
  108    H    LEU  14           H        LEU  14 -13.124  -5.382   5.472
  109    HA   LEU  14           HA       LEU  14 -13.714  -8.058   6.462
  110   1HB   LEU  14          1HB       LEU  14 -15.296  -5.490   6.630
  111   2HB   LEU  14          2HB       LEU  14 -15.762  -7.007   7.376
  112    HG   LEU  14           HG       LEU  14 -13.237  -5.494   8.049
  113   1HD1  LEU  14          1HD1      LEU  14 -15.870  -5.600   9.513
  114   2HD1  LEU  14          2HD1      LEU  14 -14.390  -4.844  10.103
  115   3HD1  LEU  14          3HD1      LEU  14 -15.201  -4.200   8.677
  116   1HD2  LEU  14          1HD2      LEU  14 -13.112  -7.896   8.474
  117   2HD2  LEU  14          2HD2      LEU  14 -13.167  -6.985   9.983
  118   3HD2  LEU  14          3HD2      LEU  14 -14.611  -7.814   9.402
  119    H    GLY  15           H        GLY  15 -14.105  -9.321   4.694
  120   1HA   GLY  15          1HA       GLY  15 -16.514  -8.618   3.147
  121   2HA   GLY  15          2HA       GLY  15 -15.962 -10.256   3.461
  122    H    ALA  16           H        ALA  16 -16.501  -8.526   0.972
  123    HA   ALA  16           HA       ALA  16 -13.919  -9.007  -0.363
  124   1HB   ALA  16          1HB       ALA  16 -15.105  -9.809  -2.332
  125   2HB   ALA  16          2HB       ALA  16 -16.648  -9.592  -1.505
  126   3HB   ALA  16          3HB       ALA  16 -15.496 -10.794  -0.921
  127    H    GLU  17           H        GLU  17 -13.145  -7.058  -0.863
  128    HA   GLU  17           HA       GLU  17 -15.011  -5.006  -1.835
  129   1HB   GLU  17          1HB       GLU  17 -12.204  -4.693  -0.758
  130   2HB   GLU  17          2HB       GLU  17 -13.242  -3.379  -1.297
  131   1HG   GLU  17          1HG       GLU  17 -14.852  -3.963   0.471
  132   2HG   GLU  17          2HG       GLU  17 -13.747  -5.215   1.033
  133    H    GLN  18           H        GLN  18 -15.011  -4.500  -3.908
  134    HA   GLN  18           HA       GLN  18 -13.383  -5.787  -5.804
  135   1HB   GLN  18          1HB       GLN  18 -15.041  -3.280  -6.116
  136   2HB   GLN  18          2HB       GLN  18 -14.414  -4.262  -7.433
  137   1HG   GLN  18          1HG       GLN  18 -15.780  -6.132  -6.726
  138   2HG   GLN  18          2HG       GLN  18 -16.368  -5.204  -5.347
  139   1HE2  GLN  18          1HE2      GLN  18 -17.837  -6.423  -7.553
  140   2HE2  GLN  18          2HE2      GLN  18 -18.723  -5.143  -8.303
  141    H    ASP  19           H        ASP  19 -11.761  -5.003  -7.158
  142    HA   ASP  19           HA       ASP  19  -9.696  -4.076  -7.457
  143   1HB   ASP  19          1HB       ASP  19  -9.752  -1.687  -7.934
  144   2HB   ASP  19          2HB       ASP  19 -11.183  -2.475  -8.589
  145    H    ALA  20           H        ALA  20 -10.259  -4.751  -4.694
  146    HA   ALA  20           HA       ALA  20  -8.607  -2.722  -3.336
  147   1HB   ALA  20          1HB       ALA  20 -10.863  -2.915  -2.394
  148   2HB   ALA  20          2HB       ALA  20 -10.580  -4.629  -2.084
  149   3HB   ALA  20          3HB       ALA  20  -9.625  -3.411  -1.240
  150    H    ILE  21           H        ILE  21  -6.929  -3.416  -1.988
  151    HA   ILE  21           HA       ILE  21  -6.095  -6.213  -2.400
  152    HB   ILE  21           HB       ILE  21  -4.610  -4.695  -3.574
  153   1HG1  ILE  21          1HG1      ILE  21  -3.275  -5.692  -1.047
  154   2HG1  ILE  21          2HG1      ILE  21  -3.664  -6.703  -2.433
  155   1HG2  ILE  21          1HG2      ILE  21  -5.043  -2.677  -2.291
  156   2HG2  ILE  21          2HG2      ILE  21  -4.199  -3.361  -0.901
  157   3HG2  ILE  21          3HG2      ILE  21  -3.310  -2.994  -2.380
  158   1HD1  ILE  21          1HD1      ILE  21  -2.173  -5.333  -3.822
  159   2HD1  ILE  21          2HD1      ILE  21  -1.756  -4.378  -2.399
  160   3HD1  ILE  21          3HD1      ILE  21  -1.333  -6.089  -2.467
  161    H    THR  22           H        THR  22  -5.372  -7.378  -0.664
  162    HA   THR  22           HA       THR  22  -6.117  -6.397   1.944
  163    HB   THR  22           HB       THR  22  -5.487  -8.642   2.744
  164    HG1  THR  22           HG1      THR  22  -4.769  -9.107   0.022
  165   1HG2  THR  22          1HG2      THR  22  -7.167  -8.643   0.234
  166   2HG2  THR  22          2HG2      THR  22  -7.152  -9.922   1.449
  167   3HG2  THR  22          3HG2      THR  22  -7.733  -8.310   1.872
  168    H    LEU  23           H        LEU  23  -4.758  -6.128   3.726
  169    HA   LEU  23           HA       LEU  23  -1.870  -6.183   3.237
  170   1HB   LEU  23          1HB       LEU  23  -3.435  -3.813   4.249
  171   2HB   LEU  23          2HB       LEU  23  -1.695  -3.961   4.416
  172    HG   LEU  23           HG       LEU  23  -3.186  -3.890   1.788
  173   1HD1  LEU  23          1HD1      LEU  23  -1.541  -1.777   3.172
  174   2HD1  LEU  23          2HD1      LEU  23  -2.205  -1.660   1.543
  175   3HD1  LEU  23          3HD1      LEU  23  -3.287  -1.748   2.931
  176   1HD2  LEU  23          1HD2      LEU  23  -0.231  -3.843   2.397
  177   2HD2  LEU  23          2HD2      LEU  23  -1.120  -5.176   1.659
  178   3HD2  LEU  23          3HD2      LEU  23  -0.958  -3.643   0.802
  179    H    ARG  24           H        ARG  24  -0.624  -5.840   5.286
  180    HA   ARG  24           HA       ARG  24  -2.081  -6.740   7.669
  181   1HB   ARG  24          1HB       ARG  24   0.517  -7.933   6.682
  182   2HB   ARG  24          2HB       ARG  24  -0.296  -8.347   8.184
  183   1HG   ARG  24          1HG       ARG  24  -1.472  -8.753   5.445
  184   2HG   ARG  24          2HG       ARG  24  -0.635  -9.997   6.375
  185   1HD   ARG  24          1HD       ARG  24  -3.147  -8.543   7.192
  186   2HD   ARG  24          2HD       ARG  24  -3.047 -10.209   6.625
  187    HE   ARG  24           HE       ARG  24  -1.554  -9.460   9.026
  188   1HH1  ARG  24          1HH1      ARG  24  -4.231 -11.144   7.559
  189   2HH1  ARG  24          2HH1      ARG  24  -4.556 -12.110   8.959
  190   1HH2  ARG  24          1HH2      ARG  24  -1.974 -10.730  10.871
  191   2HH2  ARG  24          2HH2      ARG  24  -3.272 -11.877  10.841
  192    H    GLU  25           H        GLU  25  -1.290  -5.973   9.610
  193    HA   GLU  25           HA       GLU  25   0.133  -3.560   9.586
  194   1HB   GLU  25          1HB       GLU  25  -1.407  -4.194  11.390
  195   2HB   GLU  25          2HB       GLU  25  -0.306  -5.467  11.892
  196   1HG   GLU  25          1HG       GLU  25   1.383  -3.791  12.441
  197   2HG   GLU  25          2HG       GLU  25   0.277  -2.515  11.936
  198    H    GLY  26           H        GLY  26   2.171  -3.407   8.897
  199   1HA   GLY  26          1HA       GLY  26   4.131  -5.340   9.973
  200   2HA   GLY  26          2HA       GLY  26   4.478  -3.627   9.787
  201    H    GLN  27           H        GLN  27   2.831  -3.870   7.167
  202    HA   GLN  27           HA       GLN  27   4.814  -5.254   5.529
  203   1HB   GLN  27          1HB       GLN  27   1.968  -4.864   5.417
  204   2HB   GLN  27          2HB       GLN  27   2.710  -4.266   3.945
  205   1HG   GLN  27          1HG       GLN  27   3.136  -7.007   5.095
  206   2HG   GLN  27          2HG       GLN  27   1.997  -6.620   3.807
  207   1HE2  GLN  27          1HE2      GLN  27   2.779  -6.088   1.764
  208   2HE2  GLN  27          2HE2      GLN  27   4.402  -6.432   1.281
  209    H    TYR  28           H        TYR  28   5.339  -4.200   3.410
  210    HA   TYR  28           HA       TYR  28   5.461  -1.269   3.616
  211   1HB   TYR  28          1HB       TYR  28   7.778  -2.959   2.679
  212   2HB   TYR  28          2HB       TYR  28   7.769  -1.228   2.983
  213    HD1  TYR  28           HD1      TYR  28   7.200  -0.524   5.448
  214    HD2  TYR  28           HD2      TYR  28   8.590  -4.383   4.319
  215    HE1  TYR  28           HE1      TYR  28   7.961  -0.916   7.751
  216    HE2  TYR  28           HE2      TYR  28   9.355  -4.786   6.622
  217    HH   TYR  28           HH       TYR  28   8.434  -2.856   9.229
  218    H    VAL  29           H        VAL  29   5.082  -0.195   1.754
  219    HA   VAL  29           HA       VAL  29   5.395  -1.433  -0.823
  220    HB   VAL  29           HB       VAL  29   3.296  -2.437  -0.377
  221   1HG1  VAL  29          1HG1      VAL  29   2.331   0.269   0.540
  222   2HG1  VAL  29          2HG1      VAL  29   1.329  -1.174   0.381
  223   3HG1  VAL  29          3HG1      VAL  29   2.641  -1.137   1.560
  224   1HG2  VAL  29          1HG2      VAL  29   3.514  -1.368  -2.594
  225   2HG2  VAL  29          2HG2      VAL  29   1.841  -1.473  -2.044
  226   3HG2  VAL  29          3HG2      VAL  29   2.705   0.062  -1.957
  227    H    GLU  30           H        GLU  30   6.072   0.117  -2.155
  228    HA   GLU  30           HA       GLU  30   5.845   2.884  -1.472
  229   1HB   GLU  30          1HB       GLU  30   7.147   3.302  -3.477
  230   2HB   GLU  30          2HB       GLU  30   7.853   1.975  -2.570
  231   1HG   GLU  30          1HG       GLU  30   5.946   1.386  -4.782
  232   2HG   GLU  30          2HG       GLU  30   7.610   1.830  -5.157
  233    H    VAL  31           H        VAL  31   4.893   4.536  -2.753
  234    HA   VAL  31           HA       VAL  31   2.351   3.728  -3.899
  235    HB   VAL  31           HB       VAL  31   2.436   5.610  -2.311
  236   1HG1  VAL  31          1HG1      VAL  31   4.035   6.993  -4.462
  237   2HG1  VAL  31          2HG1      VAL  31   3.395   7.758  -3.007
  238   3HG1  VAL  31          3HG1      VAL  31   4.623   6.500  -2.875
  239   1HG2  VAL  31          1HG2      VAL  31   1.601   6.383  -5.105
  240   2HG2  VAL  31          2HG2      VAL  31   0.621   5.521  -3.918
  241   3HG2  VAL  31          3HG2      VAL  31   1.091   7.195  -3.626
  242    H    LEU  32           H        LEU  32   1.693   4.084  -5.990
  243    HA   LEU  32           HA       LEU  32   3.830   4.480  -7.938
  244   1HB   LEU  32          1HB       LEU  32   0.987   3.515  -8.233
  245   2HB   LEU  32          2HB       LEU  32   2.094   3.722  -9.577
  246    HG   LEU  32           HG       LEU  32   2.543   1.832  -7.264
  247   1HD1  LEU  32          1HD1      LEU  32   1.526   1.337 -10.057
  248   2HD1  LEU  32          2HD1      LEU  32   2.063   0.074  -8.950
  249   3HD1  LEU  32          3HD1      LEU  32   0.662   1.066  -8.543
  250   1HD2  LEU  32          1HD2      LEU  32   4.002   2.195  -9.881
  251   2HD2  LEU  32          2HD2      LEU  32   4.617   2.588  -8.274
  252   3HD2  LEU  32          3HD2      LEU  32   4.303   0.909  -8.712
  253    H    ASP  33           H        ASP  33   0.391   5.401  -8.000
  254    HA   ASP  33           HA       ASP  33   1.136   7.906  -9.294
  255   1HB   ASP  33          1HB       ASP  33  -1.502   6.486  -8.957
  256   2HB   ASP  33          2HB       ASP  33  -1.377   8.112  -9.620
  257    H    ALA  34           H        ALA  34  -0.797   9.635  -8.652
  258    HA   ALA  34           HA       ALA  34  -0.967   9.807  -5.742
  259   1HB   ALA  34          1HB       ALA  34   1.128  10.935  -6.326
  260   2HB   ALA  34          2HB       ALA  34   0.246  11.999  -7.423
  261   3HB   ALA  34          3HB       ALA  34  -0.065  12.068  -5.688
  262    H    ALA  35           H        ALA  35  -2.630   9.714  -8.408
  263    HA   ALA  35           HA       ALA  35  -4.190  12.092  -8.398
  264   1HB   ALA  35          1HB       ALA  35  -4.826   9.368  -9.524
  265   2HB   ALA  35          2HB       ALA  35  -4.028  10.689 -10.377
  266   3HB   ALA  35          3HB       ALA  35  -5.710  10.854  -9.871
  267    H    HIS  36           H        HIS  36  -6.258  12.462  -7.604
  268    HA   HIS  36           HA       HIS  36  -7.949  12.411  -6.092
  269   1HB   HIS  36          1HB       HIS  36  -7.555   9.440  -6.450
  270   2HB   HIS  36          2HB       HIS  36  -8.869  10.135  -5.507
  271    HD1  HIS  36           HD1      HIS  36  -7.797   9.428  -8.972
  272    HD2  HIS  36           HD2      HIS  36 -10.816  11.540  -7.049
  273    HE1  HIS  36           HE1      HIS  36  -9.516   9.910 -10.746
  274    HE2  HIS  36           HE2      HIS  36 -11.355  11.148  -9.549
  275    HA   PRO  37           HA       PRO  37  -5.122  12.458  -2.484
  276   1HB   PRO  37          1HB       PRO  37  -7.532  13.943  -1.519
  277   2HB   PRO  37          2HB       PRO  37  -5.830  14.347  -1.335
  278   1HG   PRO  37          1HG       PRO  37  -7.244  15.637  -3.067
  279   2HG   PRO  37          2HG       PRO  37  -5.621  15.099  -3.512
  280   1HD   PRO  37          1HD       PRO  37  -8.273  13.938  -4.288
  281   2HD   PRO  37          2HD       PRO  37  -6.803  14.143  -5.266
  282    H    LEU  38           H        LEU  38  -8.468  11.491  -2.766
  283    HA   LEU  38           HA       LEU  38  -8.893  10.444  -0.204
  284   1HB   LEU  38          1HB       LEU  38 -10.715  10.790  -1.757
  285   2HB   LEU  38          2HB       LEU  38 -10.037   9.620  -2.872
  286    HG   LEU  38           HG       LEU  38 -10.423   7.843  -1.163
  287   1HD1  LEU  38          1HD1      LEU  38 -11.901  10.043   0.273
  288   2HD1  LEU  38          2HD1      LEU  38 -11.939   8.331   0.695
  289   3HD1  LEU  38          3HD1      LEU  38 -10.432   9.239   0.827
  290   1HD2  LEU  38          1HD2      LEU  38 -12.001   8.218  -2.990
  291   2HD2  LEU  38          2HD2      LEU  38 -12.834   7.712  -1.520
  292   3HD2  LEU  38          3HD2      LEU  38 -12.860   9.406  -2.010
  293    H    ARG  39           H        ARG  39  -8.246   8.543  -3.157
  294    HA   ARG  39           HA       ARG  39  -6.699   6.668  -1.495
  295   1HB   ARG  39          1HB       ARG  39  -7.551   4.826  -2.892
  296   2HB   ARG  39          2HB       ARG  39  -8.844   5.655  -2.037
  297   1HG   ARG  39          1HG       ARG  39  -9.449   6.854  -4.052
  298   2HG   ARG  39          2HG       ARG  39  -8.103   6.113  -4.920
  299   1HD   ARG  39          1HD       ARG  39 -10.212   4.994  -5.431
  300   2HD   ARG  39          2HD       ARG  39  -9.098   3.910  -4.600
  301    HE   ARG  39           HE       ARG  39 -10.621   4.971  -2.604
  302   1HH1  ARG  39          1HH1      ARG  39 -11.302   3.272  -5.568
  303   2HH1  ARG  39          2HH1      ARG  39 -12.751   2.540  -4.968
  304   1HH2  ARG  39          1HH2      ARG  39 -12.529   4.011  -1.803
  305   2HH2  ARG  39          2HH2      ARG  39 -13.451   2.961  -2.828
  306    H    TRP  40           H        TRP  40  -4.759   6.034  -2.273
  307    HA   TRP  40           HA       TRP  40  -3.996   7.059  -4.927
  308   1HB   TRP  40          1HB       TRP  40  -2.302   6.599  -2.464
  309   2HB   TRP  40          2HB       TRP  40  -1.650   7.024  -4.043
  310    HD1  TRP  40           HD1      TRP  40  -3.771   9.295  -4.812
  311    HE1  TRP  40           HE1      TRP  40  -3.685  11.555  -3.583
  312    HE3  TRP  40           HE3      TRP  40  -1.237   7.844  -0.615
  313    HZ2  TRP  40           HZ2      TRP  40  -2.673  12.587  -1.160
  314    HZ3  TRP  40           HZ3      TRP  40  -0.747   9.530   1.110
  315    HH2  TRP  40           HH2      TRP  40  -1.451  11.852   0.841
  316    H    LEU  41           H        LEU  41  -2.617   5.777  -6.235
  317    HA   LEU  41           HA       LEU  41  -3.176   2.958  -6.038
  318   1HB   LEU  41          1HB       LEU  41  -3.183   4.189  -8.193
  319   2HB   LEU  41          2HB       LEU  41  -1.457   4.457  -8.024
  320    HG   LEU  41           HG       LEU  41  -1.109   1.994  -8.091
  321   1HD1  LEU  41          1HD1      LEU  41  -4.061   1.947  -8.700
  322   2HD1  LEU  41          2HD1      LEU  41  -2.961   0.583  -8.895
  323   3HD1  LEU  41          3HD1      LEU  41  -3.264   1.249  -7.290
  324   1HD2  LEU  41          1HD2      LEU  41  -2.565   3.215 -10.432
  325   2HD2  LEU  41          2HD2      LEU  41  -0.833   3.295 -10.107
  326   3HD2  LEU  41          3HD2      LEU  41  -1.587   1.748 -10.498
  327    H    VAL  42           H        VAL  42  -1.797   1.336  -5.476
  328    HA   VAL  42           HA       VAL  42   1.024   1.963  -5.025
  329    HB   VAL  42           HB       VAL  42   1.008   0.875  -2.811
  330   1HG1  VAL  42          1HG1      VAL  42   0.905   3.310  -2.985
  331   2HG1  VAL  42          2HG1      VAL  42  -0.856   3.237  -3.019
  332   3HG1  VAL  42          3HG1      VAL  42   0.020   2.730  -1.574
  333   1HG2  VAL  42          1HG2      VAL  42  -0.998  -0.489  -3.092
  334   2HG2  VAL  42          2HG2      VAL  42  -1.108   0.509  -1.642
  335   3HG2  VAL  42          3HG2      VAL  42  -1.994   0.967  -3.097
  336    H    ARG  43           H        ARG  43   2.409   0.173  -5.013
  337    HA   ARG  43           HA       ARG  43   1.227  -2.433  -5.665
  338   1HB   ARG  43          1HB       ARG  43   1.813  -1.341  -7.790
  339   2HB   ARG  43          2HB       ARG  43   3.458  -1.105  -7.219
  340   1HG   ARG  43          1HG       ARG  43   3.714  -3.563  -7.076
  341   2HG   ARG  43          2HG       ARG  43   2.102  -3.736  -7.772
  342   1HD   ARG  43          1HD       ARG  43   4.462  -2.377  -9.072
  343   2HD   ARG  43          2HD       ARG  43   3.841  -3.978  -9.473
  344    HE   ARG  43           HE       ARG  43   1.682  -2.445  -9.859
  345   1HH1  ARG  43          1HH1      ARG  43   4.989  -2.071 -10.890
  346   2HH1  ARG  43          2HH1      ARG  43   4.575  -1.227 -12.345
  347   1HH2  ARG  43          1HH2      ARG  43   1.128  -1.336 -11.775
  348   2HH2  ARG  43          2HH2      ARG  43   2.382  -0.808 -12.847
  349    H    THR  44           H        THR  44   1.925  -3.750  -4.113
  350    HA   THR  44           HA       THR  44   4.085  -3.285  -2.413
  351    HB   THR  44           HB       THR  44   3.843  -5.565  -1.643
  352    HG1  THR  44           HG1      THR  44   3.156  -7.095  -2.940
  353   1HG2  THR  44          1HG2      THR  44   2.106  -3.950  -0.988
  354   2HG2  THR  44          2HG2      THR  44   1.148  -4.423  -2.391
  355   3HG2  THR  44          3HG2      THR  44   1.465  -5.588  -1.105
  356    H    LYS  45           H        LYS  45   6.092  -4.426  -2.180
  357    HA   LYS  45           HA       LYS  45   7.431  -4.772  -4.724
  358   1HB   LYS  45          1HB       LYS  45   8.482  -4.850  -1.890
  359   2HB   LYS  45          2HB       LYS  45   9.483  -4.955  -3.332
  360   1HG   LYS  45          1HG       LYS  45   8.911  -2.733  -3.980
  361   2HG   LYS  45          2HG       LYS  45   7.688  -2.622  -2.715
  362   1HD   LYS  45          1HD       LYS  45   9.686  -1.409  -2.062
  363   2HD   LYS  45          2HD       LYS  45   9.455  -2.808  -1.014
  364   1HE   LYS  45          1HE       LYS  45  11.145  -3.167  -3.425
  365   2HE   LYS  45          2HE       LYS  45  11.809  -2.203  -2.106
  366   1HZ   LYS  45          1HZ       LYS  45  10.734  -4.955  -1.801
  367   2HZ   LYS  45          2HZ       LYS  45  12.376  -4.578  -1.954
  368   3HZ   LYS  45          3HZ       LYS  45  11.503  -4.035  -0.609
  369    HA   PRO  46           HA       PRO  46   7.083  -9.212  -4.526
  370   1HB   PRO  46          1HB       PRO  46   8.613  -9.843  -6.641
  371   2HB   PRO  46          2HB       PRO  46   7.027  -9.087  -6.830
  372   1HG   PRO  46          1HG       PRO  46   9.747  -7.851  -6.967
  373   2HG   PRO  46          2HG       PRO  46   8.330  -7.553  -7.989
  374   1HD   PRO  46          1HD       PRO  46   9.094  -5.932  -5.908
  375   2HD   PRO  46          2HD       PRO  46   7.429  -6.060  -6.509
  376    H    THR  47           H        THR  47   8.146 -10.771  -3.448
  377    HA   THR  47           HA       THR  47  11.008 -11.001  -3.477
  378    HB   THR  47           HB       THR  47  10.867  -9.245  -1.819
  379    HG1  THR  47           HG1      THR  47  11.926 -10.344  -0.151
  380   1HG2  THR  47          1HG2      THR  47   8.922 -11.062  -0.393
  381   2HG2  THR  47          2HG2      THR  47   9.628  -9.602   0.299
  382   3HG2  THR  47          3HG2      THR  47   8.568  -9.490  -1.106
  383    H    LYS  48           H        LYS  48  11.761 -12.936  -2.516
  384    HA   LYS  48           HA       LYS  48  11.666 -15.149  -2.015
  385   1HB   LYS  48          1HB       LYS  48  10.536 -14.116   0.046
  386   2HB   LYS  48          2HB       LYS  48   9.017 -14.633  -0.675
  387   1HG   LYS  48          1HG       LYS  48   9.865 -16.957  -0.701
  388   2HG   LYS  48          2HG       LYS  48  11.318 -16.400   0.132
  389   1HD   LYS  48          1HD       LYS  48   9.829 -17.299   1.773
  390   2HD   LYS  48          2HD       LYS  48   9.844 -15.544   1.962
  391   1HE   LYS  48          1HE       LYS  48   7.749 -15.368   0.754
  392   2HE   LYS  48          2HE       LYS  48   7.748 -17.106   0.457
  393   1HZ   LYS  48          1HZ       LYS  48   7.604 -17.468   2.849
  394   2HZ   LYS  48          2HZ       LYS  48   7.578 -15.798   3.119
  395   3HZ   LYS  48          3HZ       LYS  48   6.302 -16.541   2.296
  396    H    SER  49           H        SER  49  10.831 -14.523  -4.529
  397    HA   SER  49           HA       SER  49   9.776 -15.386  -6.343
  398   1HB   SER  49          1HB       SER  49   9.076 -17.647  -4.455
  399   2HB   SER  49          2HB       SER  49   8.963 -17.704  -6.214
  400    HG   SER  49           HG       SER  49  11.326 -17.321  -4.688
  401    H    SER  50           H        SER  50   8.281 -13.770  -4.233
  402    HA   SER  50           HA       SER  50   5.539 -14.617  -4.840
  403   1HB   SER  50          1HB       SER  50   6.534 -12.551  -2.864
  404   2HB   SER  50          2HB       SER  50   4.852 -13.036  -3.080
  405    HG   SER  50           HG       SER  50   5.318 -15.025  -2.266
  406    HA   PRO  51           HA       PRO  51   5.422 -11.536  -8.063
  407   1HB   PRO  51          1HB       PRO  51   2.720 -11.646  -8.468
  408   2HB   PRO  51          2HB       PRO  51   3.857 -12.837  -9.111
  409   1HG   PRO  51          1HG       PRO  51   2.187 -12.985  -6.624
  410   2HG   PRO  51          2HG       PRO  51   2.422 -14.214  -7.884
  411   1HD   PRO  51          1HD       PRO  51   3.761 -14.337  -5.585
  412   2HD   PRO  51          2HD       PRO  51   4.554 -14.754  -7.120
  413    H    SER  52           H        SER  52   4.692  -9.404  -8.339
  414    HA   SER  52           HA       SER  52   3.922  -8.091  -5.855
  415   1HB   SER  52          1HB       SER  52   4.520  -6.006  -7.040
  416   2HB   SER  52          2HB       SER  52   5.832  -7.182  -7.079
  417    HG   SER  52           HG       SER  52   4.293  -6.175  -9.137
  418    H    ARG  53           H        ARG  53   1.940  -7.372  -5.451
  419    HA   ARG  53           HA       ARG  53  -0.025  -7.374  -7.633
  420   1HB   ARG  53          1HB       ARG  53  -0.377  -7.480  -4.638
  421   2HB   ARG  53          2HB       ARG  53  -1.707  -7.358  -5.781
  422   1HG   ARG  53          1HG       ARG  53  -0.772  -9.493  -6.824
  423   2HG   ARG  53          2HG       ARG  53   0.181  -9.641  -5.346
  424   1HD   ARG  53          1HD       ARG  53  -1.841  -9.616  -4.010
  425   2HD   ARG  53          2HD       ARG  53  -2.817  -9.380  -5.458
  426    HE   ARG  53           HE       ARG  53  -1.210 -11.743  -5.587
  427   1HH1  ARG  53          1HH1      ARG  53  -4.190 -10.413  -4.364
  428   2HH1  ARG  53          2HH1      ARG  53  -4.998 -11.943  -4.299
  429   1HH2  ARG  53          1HH2      ARG  53  -2.266 -13.763  -5.505
  430   2HH2  ARG  53          2HH2      ARG  53  -3.904 -13.849  -4.947
  431    H    GLN  54           H        GLN  54  -1.676  -5.669  -7.625
  432    HA   GLN  54           HA       GLN  54  -0.746  -3.143  -6.445
  433   1HB   GLN  54          1HB       GLN  54  -0.027  -3.091  -8.749
  434   2HB   GLN  54          2HB       GLN  54  -1.617  -3.590  -9.304
  435   1HG   GLN  54          1HG       GLN  54  -2.509  -1.454  -8.331
  436   2HG   GLN  54          2HG       GLN  54  -0.836  -0.960  -8.084
  437   1HE2  GLN  54          1HE2      GLN  54  -3.319  -1.625 -10.419
  438   2HE2  GLN  54          2HE2      GLN  54  -2.525  -0.906 -11.773
  439    H    GLY  55           H        GLY  55  -2.286  -2.096  -5.371
  440   1HA   GLY  55          1HA       GLY  55  -4.694  -2.952  -4.620
  441   2HA   GLY  55          2HA       GLY  55  -5.069  -2.294  -6.206
  442    H    TRP  56           H        TRP  56  -6.507  -0.881  -4.940
  443    HA   TRP  56           HA       TRP  56  -5.098   1.572  -4.219
  444   1HB   TRP  56          1HB       TRP  56  -8.052   1.044  -4.611
  445   2HB   TRP  56          2HB       TRP  56  -7.333   2.620  -4.297
  446    HD1  TRP  56           HD1      TRP  56  -7.565  -0.059  -7.044
  447    HE1  TRP  56           HE1      TRP  56  -7.002   1.044  -9.300
  448    HE3  TRP  56           HE3      TRP  56  -6.125   4.549  -5.359
  449    HZ2  TRP  56           HZ2      TRP  56  -6.068   3.537 -10.241
  450    HZ3  TRP  56           HZ3      TRP  56  -5.410   6.234  -7.003
  451    HH2  TRP  56           HH2      TRP  56  -5.383   5.737  -9.392
  452    H    VAL  57           H        VAL  57  -4.883   2.281  -2.180
  453    HA   VAL  57           HA       VAL  57  -6.572   1.067  -0.096
  454    HB   VAL  57           HB       VAL  57  -4.643   1.022   1.432
  455   1HG1  VAL  57          1HG1      VAL  57  -4.220  -0.517  -1.127
  456   2HG1  VAL  57          2HG1      VAL  57  -3.497  -0.903   0.433
  457   3HG1  VAL  57          3HG1      VAL  57  -5.245  -1.000   0.225
  458   1HG2  VAL  57          1HG2      VAL  57  -3.043   1.773  -1.013
  459   2HG2  VAL  57          2HG2      VAL  57  -3.299   2.776   0.415
  460   3HG2  VAL  57          3HG2      VAL  57  -2.369   1.282   0.542
  461    H    SER  58           H        SER  58  -6.608   2.317   1.937
  462    HA   SER  58           HA       SER  58  -6.802   5.157   1.344
  463   1HB   SER  58          1HB       SER  58  -7.637   3.590   3.796
  464   2HB   SER  58          2HB       SER  58  -7.968   5.300   3.520
  465    HG   SER  58           HG       SER  58  -8.759   3.417   1.597
  466    HA   PRO  59           HA       PRO  59  -2.773   5.666   3.322
  467   1HB   PRO  59          1HB       PRO  59  -2.503   8.309   2.818
  468   2HB   PRO  59          2HB       PRO  59  -2.236   7.074   1.582
  469   1HG   PRO  59          1HG       PRO  59  -4.653   8.775   2.066
  470   2HG   PRO  59          2HG       PRO  59  -3.861   8.367   0.532
  471   1HD   PRO  59          1HD       PRO  59  -6.097   7.107   1.402
  472   2HD   PRO  59          2HD       PRO  59  -4.861   6.294   0.421
  473    H    ALA  60           H        ALA  60  -5.778   6.699   4.291
  474    HA   ALA  60           HA       ALA  60  -5.074   8.588   6.307
  475   1HB   ALA  60          1HB       ALA  60  -7.319   8.506   5.358
  476   2HB   ALA  60          2HB       ALA  60  -7.557   6.896   6.037
  477   3HB   ALA  60          3HB       ALA  60  -7.363   8.285   7.107
  478    H    TYR  61           H        TYR  61  -4.436   5.352   6.072
  479    HA   TYR  61           HA       TYR  61  -4.203   5.104   8.993
  480   1HB   TYR  61          1HB       TYR  61  -5.067   2.939   7.066
  481   2HB   TYR  61          2HB       TYR  61  -4.712   2.682   8.770
  482    HD1  TYR  61           HD1      TYR  61  -6.144   3.903  10.485
  483    HD2  TYR  61           HD2      TYR  61  -7.203   3.628   6.374
  484    HE1  TYR  61           HE1      TYR  61  -8.474   4.441  11.056
  485    HE2  TYR  61           HE2      TYR  61  -9.537   4.164   6.934
  486    HH   TYR  61           HH       TYR  61 -11.042   4.074   8.843
  487    H    LEU  62           H        LEU  62  -2.476   5.565   6.378
  488    HA   LEU  62           HA       LEU  62  -0.400   3.586   7.038
  489   1HB   LEU  62          1HB       LEU  62  -1.163   4.977   4.518
  490   2HB   LEU  62          2HB       LEU  62   0.526   4.574   4.754
  491    HG   LEU  62           HG       LEU  62  -0.544   2.850   3.450
  492   1HD1  LEU  62          1HD1      LEU  62   1.198   2.167   5.031
  493   2HD1  LEU  62          2HD1      LEU  62  -0.044   1.874   6.260
  494   3HD1  LEU  62          3HD1      LEU  62  -0.011   0.894   4.784
  495   1HD2  LEU  62          1HD2      LEU  62  -2.840   3.218   4.201
  496   2HD2  LEU  62          2HD2      LEU  62  -2.383   1.518   4.317
  497   3HD2  LEU  62          3HD2      LEU  62  -2.440   2.518   5.769
  498    H    ASP  63           H        ASP  63   1.807   4.278   7.064
  499    HA   ASP  63           HA       ASP  63   2.164   7.145   7.636
  500   1HB   ASP  63          1HB       ASP  63   2.166   5.823   9.731
  501   2HB   ASP  63          2HB       ASP  63   3.487   4.844   9.098
  502    H    ARG  64           H        ARG  64   3.364   7.940   6.039
  503    HA   ARG  64           HA       ARG  64   4.931   6.477   4.266
  504   1HB   ARG  64          1HB       ARG  64   5.796   8.588   3.491
  505   2HB   ARG  64          2HB       ARG  64   4.086   8.769   3.859
  506   1HG   ARG  64          1HG       ARG  64   4.839   9.664   6.121
  507   2HG   ARG  64          2HG       ARG  64   6.445   9.788   5.400
  508   1HD   ARG  64          1HD       ARG  64   5.355  11.909   5.178
  509   2HD   ARG  64          2HD       ARG  64   5.456  11.164   3.583
  510    HE   ARG  64           HE       ARG  64   2.982  10.638   4.946
  511   1HH1  ARG  64          1HH1      ARG  64   4.696  12.879   2.900
  512   2HH1  ARG  64          2HH1      ARG  64   3.256  13.565   2.228
  513   1HH2  ARG  64          1HH2      ARG  64   1.081  11.536   4.067
  514   2HH2  ARG  64          2HH2      ARG  64   1.200  12.804   2.893
  515    H    ARG  65           H        ARG  65   7.154   6.225   4.010
  516    HA   ARG  65           HA       ARG  65   8.874   6.860   6.289
  517   1HB   ARG  65          1HB       ARG  65   8.080   4.585   6.705
  518   2HB   ARG  65          2HB       ARG  65   8.582   4.096   5.093
  519   1HG   ARG  65          1HG       ARG  65  10.255   3.296   6.505
  520   2HG   ARG  65          2HG       ARG  65  10.937   4.763   5.801
  521   1HD   ARG  65          1HD       ARG  65   9.598   4.619   8.499
  522   2HD   ARG  65          2HD       ARG  65  11.339   4.532   8.244
  523    HE   ARG  65           HE       ARG  65  10.445   6.849   7.005
  524   1HH1  ARG  65          1HH1      ARG  65  10.612   5.529  10.226
  525   2HH1  ARG  65          2HH1      ARG  65  10.743   7.077  10.992
  526   1HH2  ARG  65          1HH2      ARG  65  10.617   8.889   8.004
  527   2HH2  ARG  65          2HH2      ARG  65  10.742   8.987   9.729
  528    H    LEU  66           H        LEU  66  10.947   7.348   5.727
  529    HA   LEU  66           HA       LEU  66  11.510   7.486   2.865
  530   1HB   LEU  66          1HB       LEU  66  12.964   8.704   5.216
  531   2HB   LEU  66          2HB       LEU  66  13.381   8.957   3.531
  532    HG   LEU  66           HG       LEU  66  10.942   9.847   3.320
  533   1HD1  LEU  66          1HD1      LEU  66  11.423  10.157   6.280
  534   2HD1  LEU  66          2HD1      LEU  66  10.112  10.901   5.363
  535   3HD1  LEU  66          3HD1      LEU  66  10.189   9.147   5.525
  536   1HD2  LEU  66          1HD2      LEU  66  13.090  11.394   4.763
  537   2HD2  LEU  66          2HD2      LEU  66  12.934  11.207   3.017
  538   3HD2  LEU  66          3HD2      LEU  66  11.708  12.094   3.921
  539    H    LYS  67           H        LYS  67  12.815   6.100   1.885
  540    HA   LYS  67           HA       LYS  67  14.468   4.326   3.538
  541   1HB   LYS  67          1HB       LYS  67  12.827   3.239   2.064
  542   2HB   LYS  67          2HB       LYS  67  13.562   4.017   0.670
  543   1HG   LYS  67          1HG       LYS  67  14.562   1.986   0.527
  544   2HG   LYS  67          2HG       LYS  67  15.724   2.796   1.578
  545   1HD   LYS  67          1HD       LYS  67  13.419   1.223   2.690
  546   2HD   LYS  67          2HD       LYS  67  14.939   0.448   2.245
  547   1HE   LYS  67          1HE       LYS  67  14.621   2.701   4.226
  548   2HE   LYS  67          2HE       LYS  67  14.860   1.003   4.630
  549   1HZ   LYS  67          1HZ       LYS  67  16.781   2.681   3.108
  550   2HZ   LYS  67          2HZ       LYS  67  16.922   2.281   4.746
  551   3HZ   LYS  67          3HZ       LYS  67  17.013   1.069   3.569
  552    H    LEU  68           H        LEU  68  16.640   4.199   3.309
  553    HA   LEU  68           HA       LEU  68  17.932   6.306   1.795
  554   1HB   LEU  68          1HB       LEU  68  19.103   4.196   3.610
  555   2HB   LEU  68          2HB       LEU  68  19.982   5.548   2.924
  556    HG   LEU  68           HG       LEU  68  17.653   5.830   4.822
  557   1HD1  LEU  68          1HD1      LEU  68  20.616   6.000   5.349
  558   2HD1  LEU  68          2HD1      LEU  68  19.347   6.426   6.496
  559   3HD1  LEU  68          3HD1      LEU  68  19.515   4.760   5.947
  560   1HD2  LEU  68          1HD2      LEU  68  17.975   7.745   3.343
  561   2HD2  LEU  68          2HD2      LEU  68  18.413   8.146   5.004
  562   3HD2  LEU  68          3HD2      LEU  68  19.673   7.830   3.811

  No H/Q in entry =         562
  Start of MODEL    7
    1    H1   ILE   1           H1       ILE   1  12.411   9.821  -5.416
    2    H2   ILE   1           H2       ILE   1  13.576   9.124  -6.425
    3    H3   ILE   1           H3       ILE   1  11.955   9.165  -6.906
    4    HA   ILE   1           HA       ILE   1  12.538   6.962  -6.180
    5    HB   ILE   1           HB       ILE   1  14.354   7.558  -4.663
    6   1HG1  ILE   1          1HG1      ILE   1  13.777   6.039  -2.776
    7   2HG1  ILE   1          2HG1      ILE   1  12.097   6.068  -3.302
    8   1HG2  ILE   1          1HG2      ILE   1  12.184   8.633  -2.868
    9   2HG2  ILE   1          2HG2      ILE   1  13.878   8.437  -2.415
   10   3HG2  ILE   1          3HG2      ILE   1  13.432   9.571  -3.691
   11   1HD1  ILE   1          1HD1      ILE   1  14.418   5.036  -4.915
   12   2HD1  ILE   1          2HD1      ILE   1  13.249   4.051  -4.035
   13   3HD1  ILE   1          3HD1      ILE   1  12.724   5.029  -5.405
   14    H    PHE   2           H        PHE   2  10.874   5.692  -5.474
   15    HA   PHE   2           HA       PHE   2   8.353   6.884  -5.100
   16   1HB   PHE   2          1HB       PHE   2   9.253   4.045  -4.571
   17   2HB   PHE   2          2HB       PHE   2   7.574   4.574  -4.619
   18    HD1  PHE   2           HD1      PHE   2  10.608   4.024  -6.617
   19    HD2  PHE   2           HD2      PHE   2   6.464   4.986  -6.687
   20    HE1  PHE   2           HE1      PHE   2  10.567   3.650  -9.047
   21    HE2  PHE   2           HE2      PHE   2   6.414   4.613  -9.118
   22    HZ   PHE   2           HZ       PHE   2   8.467   3.943 -10.301
   23    H    ASP   3           H        ASP   3   6.903   6.077  -3.177
   24    HA   ASP   3           HA       ASP   3   8.383   6.571  -0.677
   25   1HB   ASP   3          1HB       ASP   3   5.609   7.543  -1.387
   26   2HB   ASP   3          2HB       ASP   3   6.410   7.785   0.161
   27    H    ILE   4           H        ILE   4   8.473   4.633   0.285
   28    HA   ILE   4           HA       ILE   4   6.261   2.781   0.185
   29    HB   ILE   4           HB       ILE   4   8.818   2.564   1.776
   30   1HG1  ILE   4          1HG1      ILE   4   8.229   1.411  -0.956
   31   2HG1  ILE   4          2HG1      ILE   4   9.169   2.876  -0.695
   32   1HG2  ILE   4          1HG2      ILE   4   7.043   1.066   2.512
   33   2HG2  ILE   4          2HG2      ILE   4   6.847   0.474   0.863
   34   3HG2  ILE   4          3HG2      ILE   4   8.347   0.165   1.738
   35   1HD1  ILE   4          1HD1      ILE   4   9.874   0.143   0.343
   36   2HD1  ILE   4          2HD1      ILE   4  10.585   0.926  -1.067
   37   3HD1  ILE   4          3HD1      ILE   4  10.829   1.611   0.540
   38    H    TYR   5           H        TYR   5   4.581   2.995   1.496
   39    HA   TYR   5           HA       TYR   5   4.885   4.347   4.067
   40   1HB   TYR   5          1HB       TYR   5   2.410   3.442   2.581
   41   2HB   TYR   5          2HB       TYR   5   2.404   4.316   4.108
   42    HD1  TYR   5           HD1      TYR   5   2.682   6.676   4.169
   43    HD2  TYR   5           HD2      TYR   5   3.258   4.566   0.521
   44    HE1  TYR   5           HE1      TYR   5   2.724   8.811   2.948
   45    HE2  TYR   5           HE2      TYR   5   3.302   6.694  -0.709
   46    HH   TYR   5           HH       TYR   5   2.532   8.989  -0.451
   47    H    VAL   6           H        VAL   6   4.477   3.390   6.026
   48    HA   VAL   6           HA       VAL   6   4.341   0.460   5.991
   49    HB   VAL   6           HB       VAL   6   6.275   1.371   7.154
   50   1HG1  VAL   6          1HG1      VAL   6   5.360   3.536   7.785
   51   2HG1  VAL   6          2HG1      VAL   6   4.283   2.757   8.945
   52   3HG1  VAL   6          3HG1      VAL   6   6.030   2.705   9.189
   53   1HG2  VAL   6          1HG2      VAL   6   5.306  -0.711   7.979
   54   2HG2  VAL   6          2HG2      VAL   6   6.008   0.225   9.297
   55   3HG2  VAL   6          3HG2      VAL   6   4.260   0.198   9.069
   56    H    VAL   7           H        VAL   7   2.669  -0.627   6.850
   57    HA   VAL   7           HA       VAL   7   0.357   0.895   7.715
   58    HB   VAL   7           HB       VAL   7   0.610  -2.104   7.472
   59   1HG1  VAL   7          1HG1      VAL   7  -1.784  -0.269   7.506
   60   2HG1  VAL   7          2HG1      VAL   7  -1.840  -2.008   7.212
   61   3HG1  VAL   7          3HG1      VAL   7  -1.302  -1.393   8.776
   62   1HG2  VAL   7          1HG2      VAL   7  -0.271  -0.096   5.400
   63   2HG2  VAL   7          2HG2      VAL   7   1.187  -1.088   5.345
   64   3HG2  VAL   7          3HG2      VAL   7  -0.402  -1.848   5.244
   65    H    THR   8           H        THR   8   0.184   1.474   9.778
   66    HA   THR   8           HA       THR   8   1.099  -0.414  11.849
   67    HB   THR   8           HB       THR   8   1.468   1.532  13.323
   68    HG1  THR   8           HG1      THR   8   0.687   2.955  10.991
   69   1HG2  THR   8          1HG2      THR   8   3.339   0.632  12.021
   70   2HG2  THR   8          2HG2      THR   8   2.936   1.717  10.689
   71   3HG2  THR   8          3HG2      THR   8   3.488   2.377  12.229
   72    H    ALA   9           H        ALA   9  -1.583   0.037  10.484
   73    HA   ALA   9           HA       ALA   9  -3.141   0.191  12.968
   74   1HB   ALA   9          1HB       ALA   9  -3.312   2.377  11.884
   75   2HB   ALA   9          2HB       ALA   9  -4.861   1.534  11.884
   76   3HB   ALA   9          3HB       ALA   9  -3.894   1.603  10.411
   77    H    ASP  10           H        ASP  10  -2.214  -1.766  10.660
   78    HA   ASP  10           HA       ASP  10  -2.990  -3.697   9.747
   79   1HB   ASP  10          1HB       ASP  10  -3.814  -4.119  12.040
   80   2HB   ASP  10          2HB       ASP  10  -5.325  -3.311  11.635
   81    H    TYR  11           H        TYR  11  -4.708  -4.607   8.335
   82    HA   TYR  11           HA       TYR  11  -6.824  -2.885   7.450
   83   1HB   TYR  11          1HB       TYR  11  -4.801  -1.878   6.363
   84   2HB   TYR  11          2HB       TYR  11  -4.565  -3.399   5.509
   85    HD1  TYR  11           HD1      TYR  11  -5.917  -3.979   3.618
   86    HD2  TYR  11           HD2      TYR  11  -6.755  -0.459   5.856
   87    HE1  TYR  11           HE1      TYR  11  -7.428  -3.213   1.837
   88    HE2  TYR  11           HE2      TYR  11  -8.269   0.317   4.080
   89    HH   TYR  11           HH       TYR  11  -8.622  -0.043   1.673
   90    H    LEU  12           H        LEU  12  -8.162  -4.633   7.766
   91    HA   LEU  12           HA       LEU  12  -7.726  -6.937   5.983
   92   1HB   LEU  12          1HB       LEU  12  -7.583  -7.595   8.304
   93   2HB   LEU  12          2HB       LEU  12  -9.109  -6.809   8.659
   94    HG   LEU  12           HG       LEU  12 -10.275  -8.446   7.229
   95   1HD1  LEU  12          1HD1      LEU  12  -7.554  -9.722   6.990
   96   2HD1  LEU  12          2HD1      LEU  12  -9.074 -10.441   6.460
   97   3HD1  LEU  12          3HD1      LEU  12  -8.477  -8.974   5.686
   98   1HD2  LEU  12          1HD2      LEU  12 -10.065  -8.844   9.626
   99   2HD2  LEU  12          2HD2      LEU  12 -10.026 -10.360   8.725
  100   3HD2  LEU  12          3HD2      LEU  12  -8.531  -9.673   9.361
  101    HA   PRO  13           HA       PRO  13 -11.369  -5.091   3.981
  102   1HB   PRO  13          1HB       PRO  13 -11.045  -7.576   2.380
  103   2HB   PRO  13          2HB       PRO  13 -11.250  -5.910   1.839
  104   1HG   PRO  13          1HG       PRO  13  -8.873  -7.082   1.693
  105   2HG   PRO  13          2HG       PRO  13  -9.008  -5.385   2.194
  106   1HD   PRO  13          1HD       PRO  13  -8.549  -7.825   3.865
  107   2HD   PRO  13          2HD       PRO  13  -7.830  -6.206   4.011
  108    H    LEU  14           H        LEU  14 -13.523  -5.505   4.152
  109    HA   LEU  14           HA       LEU  14 -14.292  -7.824   5.723
  110   1HB   LEU  14          1HB       LEU  14 -15.990  -5.530   4.737
  111   2HB   LEU  14          2HB       LEU  14 -16.445  -6.720   5.943
  112    HG   LEU  14           HG       LEU  14 -14.218  -4.706   6.266
  113   1HD1  LEU  14          1HD1      LEU  14 -16.410  -3.633   6.207
  114   2HD1  LEU  14          2HD1      LEU  14 -16.991  -4.743   7.448
  115   3HD1  LEU  14          3HD1      LEU  14 -15.715  -3.584   7.827
  116   1HD2  LEU  14          1HD2      LEU  14 -13.849  -6.758   7.531
  117   2HD2  LEU  14          2HD2      LEU  14 -14.241  -5.416   8.606
  118   3HD2  LEU  14          3HD2      LEU  14 -15.464  -6.629   8.229
  119    H    GLY  15           H        GLY  15 -14.242  -9.568   4.367
  120   1HA   GLY  15          1HA       GLY  15 -16.497  -9.908   2.632
  121   2HA   GLY  15          2HA       GLY  15 -15.229 -11.087   2.935
  122    H    ALA  16           H        ALA  16 -16.633  -9.796   0.472
  123    HA   ALA  16           HA       ALA  16 -14.205  -9.743  -1.139
  124   1HB   ALA  16          1HB       ALA  16 -16.047 -11.166  -1.873
  125   2HB   ALA  16          2HB       ALA  16 -15.709  -9.904  -3.059
  126   3HB   ALA  16          3HB       ALA  16 -17.102  -9.756  -1.986
  127    H    GLU  17           H        GLU  17 -13.231  -7.851  -1.421
  128    HA   GLU  17           HA       GLU  17 -14.906  -5.452  -1.780
  129   1HB   GLU  17          1HB       GLU  17 -13.580  -5.480   0.340
  130   2HB   GLU  17          2HB       GLU  17 -12.114  -5.540  -0.629
  131   1HG   GLU  17          1HG       GLU  17 -12.491  -3.290   0.092
  132   2HG   GLU  17          2HG       GLU  17 -12.739  -3.385  -1.650
  133    H    GLN  18           H        GLN  18 -14.671  -4.376  -3.630
  134    HA   GLN  18           HA       GLN  18 -12.740  -5.335  -5.570
  135   1HB   GLN  18          1HB       GLN  18 -15.100  -3.477  -5.712
  136   2HB   GLN  18          2HB       GLN  18 -13.956  -3.591  -7.040
  137   1HG   GLN  18          1HG       GLN  18 -15.591  -5.069  -7.679
  138   2HG   GLN  18          2HG       GLN  18 -14.420  -6.132  -6.904
  139   1HE2  GLN  18          1HE2      GLN  18 -17.281  -6.484  -7.341
  140   2HE2  GLN  18          2HE2      GLN  18 -17.975  -6.749  -5.782
  141    H    ASP  19           H        ASP  19 -11.240  -4.035  -6.658
  142    HA   ASP  19           HA       ASP  19  -9.596  -2.477  -6.838
  143   1HB   ASP  19          1HB       ASP  19 -11.667  -0.683  -5.552
  144   2HB   ASP  19          2HB       ASP  19 -10.184  -0.125  -6.322
  145    H    ALA  20           H        ALA  20  -9.962  -4.100  -4.342
  146    HA   ALA  20           HA       ALA  20  -8.276  -2.447  -2.577
  147   1HB   ALA  20          1HB       ALA  20 -10.499  -2.785  -1.603
  148   2HB   ALA  20          2HB       ALA  20  -9.246  -3.587  -0.656
  149   3HB   ALA  20          3HB       ALA  20 -10.284  -4.532  -1.724
  150    H    ILE  21           H        ILE  21  -6.754  -3.652  -1.248
  151    HA   ILE  21           HA       ILE  21  -6.073  -6.314  -2.281
  152    HB   ILE  21           HB       ILE  21  -4.622  -4.807  -3.485
  153   1HG1  ILE  21          1HG1      ILE  21  -3.039  -6.070  -1.237
  154   2HG1  ILE  21          2HG1      ILE  21  -3.696  -6.962  -2.606
  155   1HG2  ILE  21          1HG2      ILE  21  -3.815  -3.726  -0.789
  156   2HG2  ILE  21          2HG2      ILE  21  -3.070  -3.299  -2.329
  157   3HG2  ILE  21          3HG2      ILE  21  -4.753  -2.880  -2.018
  158   1HD1  ILE  21          1HD1      ILE  21  -1.674  -4.739  -2.765
  159   2HD1  ILE  21          2HD1      ILE  21  -1.335  -6.465  -2.907
  160   3HD1  ILE  21          3HD1      ILE  21  -2.318  -5.655  -4.128
  161    H    THR  22           H        THR  22  -5.484  -7.741  -0.751
  162    HA   THR  22           HA       THR  22  -5.923  -7.225   1.956
  163    HB   THR  22           HB       THR  22  -6.039  -9.486   1.035
  164    HG1  THR  22           HG1      THR  22  -4.071 -10.062   2.782
  165   1HG2  THR  22          1HG2      THR  22  -4.138  -9.330  -0.522
  166   2HG2  THR  22          2HG2      THR  22  -3.027  -9.330   0.847
  167   3HG2  THR  22          3HG2      THR  22  -4.019 -10.749   0.517
  168    H    LEU  23           H        LEU  23  -4.662  -6.661   3.642
  169    HA   LEU  23           HA       LEU  23  -1.771  -6.518   3.331
  170   1HB   LEU  23          1HB       LEU  23  -3.539  -4.134   3.818
  171   2HB   LEU  23          2HB       LEU  23  -1.861  -4.153   4.323
  172    HG   LEU  23           HG       LEU  23  -2.807  -4.498   1.476
  173   1HD1  LEU  23          1HD1      LEU  23  -1.585  -2.117   2.864
  174   2HD1  LEU  23          2HD1      LEU  23  -1.894  -2.247   1.132
  175   3HD1  LEU  23          3HD1      LEU  23  -3.241  -2.247   2.271
  176   1HD2  LEU  23          1HD2      LEU  23  -0.039  -4.158   2.629
  177   2HD2  LEU  23          2HD2      LEU  23  -0.696  -5.634   1.918
  178   3HD2  LEU  23          3HD2      LEU  23  -0.442  -4.207   0.913
  179    H    ARG  24           H        ARG  24  -0.730  -5.819   5.436
  180    HA   ARG  24           HA       ARG  24  -2.353  -6.482   7.780
  181   1HB   ARG  24          1HB       ARG  24   0.228  -7.840   7.002
  182   2HB   ARG  24          2HB       ARG  24  -0.445  -7.907   8.625
  183   1HG   ARG  24          1HG       ARG  24  -2.476  -8.958   7.714
  184   2HG   ARG  24          2HG       ARG  24  -1.737  -8.945   6.111
  185   1HD   ARG  24          1HD       ARG  24   0.049 -10.381   6.885
  186   2HD   ARG  24          2HD       ARG  24  -0.578 -10.323   8.531
  187    HE   ARG  24           HE       ARG  24  -2.529 -11.304   6.712
  188   1HH1  ARG  24          1HH1      ARG  24   0.352 -12.214   8.449
  189   2HH1  ARG  24          2HH1      ARG  24  -0.057 -13.897   8.502
  190   1HH2  ARG  24          1HH2      ARG  24  -3.074 -13.516   6.779
  191   2HH2  ARG  24          2HH2      ARG  24  -2.004 -14.635   7.552
  192    H    GLU  25           H        GLU  25  -1.326  -5.874   9.816
  193    HA   GLU  25           HA       GLU  25  -0.093  -3.310   9.628
  194   1HB   GLU  25          1HB       GLU  25  -1.614  -3.719  11.439
  195   2HB   GLU  25          2HB       GLU  25  -0.688  -5.111  11.977
  196   1HG   GLU  25          1HG       GLU  25   1.160  -3.653  12.606
  197   2HG   GLU  25          2HG       GLU  25   0.251  -2.251  12.041
  198    H    GLY  26           H        GLY  26   1.940  -3.268   8.844
  199   1HA   GLY  26          1HA       GLY  26   3.919  -5.060  10.108
  200   2HA   GLY  26          2HA       GLY  26   4.236  -3.347   9.883
  201    H    GLN  27           H        GLN  27   2.626  -3.781   7.232
  202    HA   GLN  27           HA       GLN  27   4.725  -5.103   5.691
  203   1HB   GLN  27          1HB       GLN  27   1.856  -4.872   5.500
  204   2HB   GLN  27          2HB       GLN  27   2.616  -4.343   4.012
  205   1HG   GLN  27          1HG       GLN  27   3.077  -6.985   5.366
  206   2HG   GLN  27          2HG       GLN  27   2.033  -6.717   3.971
  207   1HE2  GLN  27          1HE2      GLN  27   2.957  -6.290   1.966
  208   2HE2  GLN  27          2HE2      GLN  27   4.621  -6.611   1.633
  209    H    TYR  28           H        TYR  28   5.515  -4.109   3.742
  210    HA   TYR  28           HA       TYR  28   5.404  -1.164   3.818
  211   1HB   TYR  28          1HB       TYR  28   7.737  -2.817   2.848
  212   2HB   TYR  28          2HB       TYR  28   7.701  -1.082   3.140
  213    HD1  TYR  28           HD1      TYR  28   7.996  -4.381   4.670
  214    HD2  TYR  28           HD2      TYR  28   7.747  -0.201   5.425
  215    HE1  TYR  28           HE1      TYR  28   8.788  -4.755   6.966
  216    HE2  TYR  28           HE2      TYR  28   8.539  -0.564   7.725
  217    HH   TYR  28           HH       TYR  28   9.863  -3.536   8.766
  218    H    VAL  29           H        VAL  29   5.048  -0.083   1.922
  219    HA   VAL  29           HA       VAL  29   5.250  -1.417  -0.625
  220    HB   VAL  29           HB       VAL  29   3.118  -2.301  -0.041
  221   1HG1  VAL  29          1HG1      VAL  29   2.580  -0.799   1.799
  222   2HG1  VAL  29          2HG1      VAL  29   2.280   0.510   0.657
  223   3HG1  VAL  29          3HG1      VAL  29   1.234  -0.910   0.665
  224   1HG2  VAL  29          1HG2      VAL  29   3.379  -1.382  -2.335
  225   2HG2  VAL  29          2HG2      VAL  29   1.707  -1.430  -1.776
  226   3HG2  VAL  29          3HG2      VAL  29   2.590   0.097  -1.789
  227    H    GLU  30           H        GLU  30   5.955   0.037  -2.031
  228    HA   GLU  30           HA       GLU  30   5.898   2.839  -1.500
  229   1HB   GLU  30          1HB       GLU  30   7.013   3.032  -3.705
  230   2HB   GLU  30          2HB       GLU  30   7.801   1.875  -2.642
  231   1HG   GLU  30          1HG       GLU  30   6.678   0.043  -3.826
  232   2HG   GLU  30          2HG       GLU  30   5.934   1.218  -4.910
  233    H    VAL  31           H        VAL  31   4.941   4.472  -2.818
  234    HA   VAL  31           HA       VAL  31   2.347   3.655  -3.885
  235    HB   VAL  31           HB       VAL  31   2.398   5.466  -2.215
  236   1HG1  VAL  31          1HG1      VAL  31   4.572   6.426  -2.800
  237   2HG1  VAL  31          2HG1      VAL  31   3.900   7.026  -4.316
  238   3HG1  VAL  31          3HG1      VAL  31   3.307   7.654  -2.778
  239   1HG2  VAL  31          1HG2      VAL  31   1.507   6.305  -4.971
  240   2HG2  VAL  31          2HG2      VAL  31   0.564   5.404  -3.785
  241   3HG2  VAL  31          3HG2      VAL  31   1.009   7.081  -3.468
  242    H    LEU  32           H        LEU  32   1.753   3.869  -5.971
  243    HA   LEU  32           HA       LEU  32   3.835   4.580  -7.887
  244   1HB   LEU  32          1HB       LEU  32   1.187   3.172  -8.149
  245   2HB   LEU  32          2HB       LEU  32   2.123   3.667  -9.545
  246    HG   LEU  32           HG       LEU  32   3.016   1.713  -7.421
  247   1HD1  LEU  32          1HD1      LEU  32   2.164   1.325 -10.286
  248   2HD1  LEU  32          2HD1      LEU  32   2.887   0.080  -9.269
  249   3HD1  LEU  32          3HD1      LEU  32   1.317   0.760  -8.845
  250   1HD2  LEU  32          1HD2      LEU  32   4.891   3.003  -8.321
  251   2HD2  LEU  32          2HD2      LEU  32   4.946   1.326  -8.864
  252   3HD2  LEU  32          3HD2      LEU  32   4.391   2.590  -9.961
  253    H    ASP  33           H        ASP  33   0.394   5.304  -7.308
  254    HA   ASP  33           HA       ASP  33   0.848   7.986  -8.398
  255   1HB   ASP  33          1HB       ASP  33  -1.471   6.220  -9.206
  256   2HB   ASP  33          2HB       ASP  33  -1.205   7.882  -9.723
  257    H    ALA  34           H        ALA  34  -1.239   9.341  -8.053
  258    HA   ALA  34           HA       ALA  34  -2.378   8.690  -5.414
  259   1HB   ALA  34          1HB       ALA  34  -0.715  10.439  -5.157
  260   2HB   ALA  34          2HB       ALA  34  -1.504  11.402  -6.405
  261   3HB   ALA  34          3HB       ALA  34  -2.330  11.090  -4.879
  262    H    ALA  35           H        ALA  35  -2.879  11.200  -7.890
  263    HA   ALA  35           HA       ALA  35  -4.726  11.934  -8.984
  264   1HB   ALA  35          1HB       ALA  35  -6.371  10.289  -9.703
  265   2HB   ALA  35          2HB       ALA  35  -4.731   9.668  -9.898
  266   3HB   ALA  35          3HB       ALA  35  -5.725   9.124  -8.546
  267    H    HIS  36           H        HIS  36  -6.579   9.662  -7.025
  268    HA   HIS  36           HA       HIS  36  -8.152  11.882  -5.997
  269   1HB   HIS  36          1HB       HIS  36  -8.571   8.904  -5.679
  270   2HB   HIS  36          2HB       HIS  36  -9.719  10.165  -5.242
  271    HD1  HIS  36           HD1      HIS  36 -11.019  11.303  -7.163
  272    HD2  HIS  36           HD2      HIS  36  -8.410   8.319  -8.413
  273    HE1  HIS  36           HE1      HIS  36 -11.633  10.830  -9.555
  274    HE2  HIS  36           HE2      HIS  36  -9.989   9.079 -10.314
  275    HA   PRO  37           HA       PRO  37  -5.690  11.978  -2.224
  276   1HB   PRO  37          1HB       PRO  37  -8.146  13.426  -1.330
  277   2HB   PRO  37          2HB       PRO  37  -6.458  13.885  -1.152
  278   1HG   PRO  37          1HG       PRO  37  -7.891  15.079  -2.931
  279   2HG   PRO  37          2HG       PRO  37  -6.258  14.560  -3.359
  280   1HD   PRO  37          1HD       PRO  37  -8.884  13.292  -4.066
  281   2HD   PRO  37          2HD       PRO  37  -7.442  13.530  -5.078
  282    H    LEU  38           H        LEU  38  -9.020  10.927  -2.500
  283    HA   LEU  38           HA       LEU  38  -9.390   9.941   0.104
  284   1HB   LEU  38          1HB       LEU  38 -10.594   9.082  -2.524
  285   2HB   LEU  38          2HB       LEU  38 -11.120   8.465  -0.970
  286    HG   LEU  38           HG       LEU  38 -11.221  11.375  -1.770
  287   1HD1  LEU  38          1HD1      LEU  38 -13.404   9.297  -1.700
  288   2HD1  LEU  38          2HD1      LEU  38 -13.642  11.024  -1.962
  289   3HD1  LEU  38          3HD1      LEU  38 -12.740  10.070  -3.139
  290   1HD2  LEU  38          1HD2      LEU  38 -12.386   9.896   0.589
  291   2HD2  LEU  38          2HD2      LEU  38 -11.042  11.037   0.635
  292   3HD2  LEU  38          3HD2      LEU  38 -12.659  11.595   0.204
  293    H    ARG  39           H        ARG  39  -8.158   8.363  -2.829
  294    HA   ARG  39           HA       ARG  39  -6.800   6.406  -1.145
  295   1HB   ARG  39          1HB       ARG  39  -7.569   4.529  -2.571
  296   2HB   ARG  39          2HB       ARG  39  -8.876   5.285  -1.670
  297   1HG   ARG  39          1HG       ARG  39  -9.572   6.497  -3.658
  298   2HG   ARG  39          2HG       ARG  39  -8.234   5.792  -4.570
  299   1HD   ARG  39          1HD       ARG  39 -10.345   4.626  -5.007
  300   2HD   ARG  39          2HD       ARG  39  -9.159   3.568  -4.244
  301    HE   ARG  39           HE       ARG  39 -10.655   4.605  -2.184
  302   1HH1  ARG  39          1HH1      ARG  39 -11.287   2.738  -5.058
  303   2HH1  ARG  39          2HH1      ARG  39 -12.645   1.908  -4.376
  304   1HH2  ARG  39          1HH2      ARG  39 -12.441   3.514  -1.277
  305   2HH2  ARG  39          2HH2      ARG  39 -13.300   2.349  -2.227
  306    H    TRP  40           H        TRP  40  -4.802   5.963  -1.846
  307    HA   TRP  40           HA       TRP  40  -4.039   6.970  -4.502
  308   1HB   TRP  40          1HB       TRP  40  -2.386   6.506  -2.013
  309   2HB   TRP  40          2HB       TRP  40  -1.702   6.945  -3.574
  310    HD1  TRP  40           HD1      TRP  40  -4.607   8.949  -3.690
  311    HE1  TRP  40           HE1      TRP  40  -4.252  11.303  -2.715
  312    HE3  TRP  40           HE3      TRP  40  -0.289   8.108  -1.081
  313    HZ2  TRP  40           HZ2      TRP  40  -2.390  12.630  -1.060
  314    HZ3  TRP  40           HZ3      TRP  40   0.715   9.975   0.170
  315    HH2  TRP  40           HH2      TRP  40  -0.316  12.188   0.179
  316    H    LEU  41           H        LEU  41  -2.814   5.716  -5.902
  317    HA   LEU  41           HA       LEU  41  -3.192   2.872  -5.646
  318   1HB   LEU  41          1HB       LEU  41  -3.497   4.028  -7.793
  319   2HB   LEU  41          2HB       LEU  41  -1.807   4.492  -7.786
  320    HG   LEU  41           HG       LEU  41  -1.160   2.116  -7.930
  321   1HD1  LEU  41          1HD1      LEU  41  -4.139   1.674  -8.057
  322   2HD1  LEU  41          2HD1      LEU  41  -2.937   0.466  -8.506
  323   3HD1  LEU  41          3HD1      LEU  41  -3.016   1.056  -6.846
  324   1HD2  LEU  41          1HD2      LEU  41  -3.094   3.033 -10.054
  325   2HD2  LEU  41          2HD2      LEU  41  -1.376   3.423  -9.966
  326   3HD2  LEU  41          3HD2      LEU  41  -1.890   1.759 -10.244
  327    H    VAL  42           H        VAL  42  -1.722   1.375  -5.060
  328    HA   VAL  42           HA       VAL  42   1.104   2.164  -4.892
  329    HB   VAL  42           HB       VAL  42   1.348   1.091  -2.715
  330   1HG1  VAL  42          1HG1      VAL  42   0.879   3.488  -2.798
  331   2HG1  VAL  42          2HG1      VAL  42  -0.850   3.155  -2.723
  332   3HG1  VAL  42          3HG1      VAL  42   0.185   2.750  -1.355
  333   1HG2  VAL  42          1HG2      VAL  42  -1.645   0.726  -2.823
  334   2HG2  VAL  42          2HG2      VAL  42  -0.435  -0.556  -2.885
  335   3HG2  VAL  42          3HG2      VAL  42  -0.625   0.410  -1.421
  336    H    ARG  43           H        ARG  43   2.585   0.326  -4.695
  337    HA   ARG  43           HA       ARG  43   1.488  -2.233  -5.623
  338   1HB   ARG  43          1HB       ARG  43   2.271  -1.006  -7.608
  339   2HB   ARG  43          2HB       ARG  43   3.855  -0.822  -6.870
  340   1HG   ARG  43          1HG       ARG  43   4.111  -3.276  -6.875
  341   2HG   ARG  43          2HG       ARG  43   2.553  -3.410  -7.691
  342   1HD   ARG  43          1HD       ARG  43   4.351  -3.551  -9.308
  343   2HD   ARG  43          2HD       ARG  43   3.433  -2.066  -9.552
  344    HE   ARG  43           HE       ARG  43   5.870  -1.927  -7.946
  345   1HH1  ARG  43          1HH1      ARG  43   4.218  -1.257 -10.942
  346   2HH1  ARG  43          2HH1      ARG  43   5.400  -0.115 -11.487
  347   1HH2  ARG  43          1HH2      ARG  43   7.430  -0.424  -8.657
  348   2HH2  ARG  43          2HH2      ARG  43   7.226   0.358 -10.189
  349    H    THR  44           H        THR  44   2.037  -3.641  -4.101
  350    HA   THR  44           HA       THR  44   4.094  -3.274  -2.222
  351    HB   THR  44           HB       THR  44   3.665  -5.524  -1.484
  352    HG1  THR  44           HG1      THR  44   2.040  -5.928  -3.783
  353   1HG2  THR  44          1HG2      THR  44   1.945  -3.869  -0.950
  354   2HG2  THR  44          2HG2      THR  44   1.106  -4.243  -2.456
  355   3HG2  THR  44          3HG2      THR  44   1.229  -5.463  -1.189
  356    H    LYS  45           H        LYS  45   5.998  -4.598  -1.891
  357    HA   LYS  45           HA       LYS  45   7.467  -4.952  -4.364
  358   1HB   LYS  45          1HB       LYS  45   8.320  -5.175  -1.473
  359   2HB   LYS  45          2HB       LYS  45   9.406  -5.351  -2.844
  360   1HG   LYS  45          1HG       LYS  45   8.939  -3.057  -3.525
  361   2HG   LYS  45          2HG       LYS  45   7.823  -2.878  -2.169
  362   1HD   LYS  45          1HD       LYS  45   9.959  -1.878  -1.617
  363   2HD   LYS  45          2HD       LYS  45   9.689  -3.303  -0.613
  364   1HE   LYS  45          1HE       LYS  45  11.989  -3.219  -1.431
  365   2HE   LYS  45          2HE       LYS  45  11.132  -4.618  -2.075
  366   1HZ   LYS  45          1HZ       LYS  45  11.569  -2.067  -3.531
  367   2HZ   LYS  45          2HZ       LYS  45  12.459  -3.486  -3.764
  368   3HZ   LYS  45          3HZ       LYS  45  10.811  -3.448  -4.147
  369    HA   PRO  46           HA       PRO  46   6.684  -9.356  -4.343
  370   1HB   PRO  46          1HB       PRO  46   8.206 -10.021  -6.469
  371   2HB   PRO  46          2HB       PRO  46   6.658  -9.184  -6.640
  372   1HG   PRO  46          1HG       PRO  46   9.435  -8.075  -6.726
  373   2HG   PRO  46          2HG       PRO  46   8.043  -7.688  -7.753
  374   1HD   PRO  46          1HD       PRO  46   8.850  -6.138  -5.654
  375   2HD   PRO  46          2HD       PRO  46   7.171  -6.217  -6.224
  376    H    THR  47           H        THR  47   7.713 -11.243  -3.718
  377    HA   THR  47           HA       THR  47  10.430 -10.894  -2.660
  378    HB   THR  47           HB       THR  47   9.957 -12.826  -1.222
  379    HG1  THR  47           HG1      THR  47   8.382 -14.112  -1.778
  380   1HG2  THR  47          1HG2      THR  47   9.383 -10.589  -0.412
  381   2HG2  THR  47          2HG2      THR  47   7.776 -10.738  -1.123
  382   3HG2  THR  47          3HG2      THR  47   8.255 -11.795   0.204
  383    H    LYS  48           H        LYS  48  10.960 -13.685  -2.356
  384    HA   LYS  48           HA       LYS  48  12.005 -14.231  -4.968
  385   1HB   LYS  48          1HB       LYS  48  12.052 -15.900  -2.449
  386   2HB   LYS  48          2HB       LYS  48  12.972 -16.241  -3.907
  387   1HG   LYS  48          1HG       LYS  48  13.262 -13.761  -2.224
  388   2HG   LYS  48          2HG       LYS  48  14.319 -15.173  -2.150
  389   1HD   LYS  48          1HD       LYS  48  14.900 -14.835  -4.518
  390   2HD   LYS  48          2HD       LYS  48  13.877 -13.398  -4.552
  391   1HE   LYS  48          1HE       LYS  48  16.313 -13.809  -2.822
  392   2HE   LYS  48          2HE       LYS  48  16.223 -12.799  -4.265
  393   1HZ   LYS  48          1HZ       LYS  48  14.571 -11.425  -3.143
  394   2HZ   LYS  48          2HZ       LYS  48  14.689 -12.385  -1.755
  395   3HZ   LYS  48          3HZ       LYS  48  16.018 -11.473  -2.268
  396    H    SER  49           H        SER  49   8.974 -14.590  -3.881
  397    HA   SER  49           HA       SER  49   8.389 -16.652  -5.824
  398   1HB   SER  49          1HB       SER  49   7.714 -17.050  -2.900
  399   2HB   SER  49          2HB       SER  49   7.099 -18.045  -4.220
  400    HG   SER  49           HG       SER  49   9.135 -18.797  -4.603
  401    H    SER  50           H        SER  50   7.319 -14.258  -3.516
  402    HA   SER  50           HA       SER  50   4.578 -14.327  -4.435
  403   1HB   SER  50          1HB       SER  50   5.045 -13.834  -2.082
  404   2HB   SER  50          2HB       SER  50   5.975 -12.411  -2.555
  405    HG   SER  50           HG       SER  50   3.438 -12.484  -2.040
  406    HA   PRO  51           HA       PRO  51   5.574 -11.575  -7.847
  407   1HB   PRO  51          1HB       PRO  51   3.033 -11.437  -8.815
  408   2HB   PRO  51          2HB       PRO  51   4.111 -12.806  -9.117
  409   1HG   PRO  51          1HG       PRO  51   1.954 -12.531  -7.052
  410   2HG   PRO  51          2HG       PRO  51   2.284 -13.890  -8.146
  411   1HD   PRO  51          1HD       PRO  51   3.087 -13.932  -5.596
  412   2HD   PRO  51          2HD       PRO  51   4.095 -14.618  -6.889
  413    H    SER  52           H        SER  52   5.059  -9.400  -8.420
  414    HA   SER  52           HA       SER  52   4.362  -7.764  -6.191
  415   1HB   SER  52          1HB       SER  52   6.031  -6.980  -7.759
  416   2HB   SER  52          2HB       SER  52   4.878  -7.064  -9.090
  417    HG   SER  52           HG       SER  52   3.997  -5.549  -6.994
  418    H    ARG  53           H        ARG  53   2.423  -7.126  -5.573
  419    HA   ARG  53           HA       ARG  53   0.196  -7.292  -7.493
  420   1HB   ARG  53          1HB       ARG  53   0.101  -7.327  -4.469
  421   2HB   ARG  53          2HB       ARG  53  -1.274  -7.513  -5.547
  422   1HG   ARG  53          1HG       ARG  53   1.058  -9.409  -5.547
  423   2HG   ARG  53          2HG       ARG  53  -0.356  -9.623  -4.515
  424   1HD   ARG  53          1HD       ARG  53  -0.752 -10.941  -6.429
  425   2HD   ARG  53          2HD       ARG  53  -1.750  -9.501  -6.620
  426    HE   ARG  53           HE       ARG  53   0.736  -9.108  -7.887
  427   1HH1  ARG  53          1HH1      ARG  53  -2.230 -10.902  -8.233
  428   2HH1  ARG  53          2HH1      ARG  53  -2.122 -10.999  -9.958
  429   1HH2  ARG  53          1HH2      ARG  53   0.887  -9.233 -10.162
  430   2HH2  ARG  53          2HH2      ARG  53  -0.349 -10.054 -11.054
  431    H    GLN  54           H        GLN  54  -1.240  -5.570  -7.697
  432    HA   GLN  54           HA       GLN  54  -0.421  -3.068  -6.368
  433   1HB   GLN  54          1HB       GLN  54   0.206  -3.081  -8.753
  434   2HB   GLN  54          2HB       GLN  54  -1.467  -3.388  -9.189
  435   1HG   GLN  54          1HG       GLN  54  -1.999  -1.212  -7.968
  436   2HG   GLN  54          2HG       GLN  54  -0.263  -0.907  -8.027
  437   1HE2  GLN  54          1HE2      GLN  54   0.738  -0.627 -10.044
  438   2HE2  GLN  54          2HE2      GLN  54  -0.167  -0.187 -11.448
  439    H    GLY  55           H        GLY  55  -1.963  -2.070  -5.235
  440   1HA   GLY  55          1HA       GLY  55  -4.328  -3.001  -4.443
  441   2HA   GLY  55          2HA       GLY  55  -4.759  -2.336  -6.010
  442    H    TRP  56           H        TRP  56  -6.209  -0.977  -4.723
  443    HA   TRP  56           HA       TRP  56  -4.889   1.523  -4.033
  444   1HB   TRP  56          1HB       TRP  56  -7.826   0.833  -4.285
  445   2HB   TRP  56          2HB       TRP  56  -7.192   2.446  -3.974
  446    HD1  TRP  56           HD1      TRP  56  -7.377  -0.204  -6.755
  447    HE1  TRP  56           HE1      TRP  56  -6.994   0.967  -9.015
  448    HE3  TRP  56           HE3      TRP  56  -6.170   4.469  -5.061
  449    HZ2  TRP  56           HZ2      TRP  56  -6.278   3.529  -9.956
  450    HZ3  TRP  56           HZ3      TRP  56  -5.652   6.223  -6.707
  451    HH2  TRP  56           HH2      TRP  56  -5.704   5.760  -9.104
  452    H    VAL  57           H        VAL  57  -4.850   2.433  -2.021
  453    HA   VAL  57           HA       VAL  57  -6.223   1.012   0.157
  454    HB   VAL  57           HB       VAL  57  -4.258   1.239   1.604
  455   1HG1  VAL  57          1HG1      VAL  57  -3.712  -0.232  -0.971
  456   2HG1  VAL  57          2HG1      VAL  57  -2.853  -0.487   0.547
  457   3HG1  VAL  57          3HG1      VAL  57  -4.573  -0.858   0.434
  458   1HG2  VAL  57          1HG2      VAL  57  -2.865   2.223  -0.886
  459   2HG2  VAL  57          2HG2      VAL  57  -3.214   3.167   0.562
  460   3HG2  VAL  57          3HG2      VAL  57  -2.073   1.825   0.639
  461    H    SER  58           H        SER  58  -6.038   2.335   2.256
  462    HA   SER  58           HA       SER  58  -6.823   5.071   1.620
  463   1HB   SER  58          1HB       SER  58  -7.653   5.107   3.974
  464   2HB   SER  58          2HB       SER  58  -8.372   3.822   3.003
  465    HG   SER  58           HG       SER  58  -7.559   2.433   4.340
  466    HA   PRO  59           HA       PRO  59  -2.676   6.242   3.005
  467   1HB   PRO  59          1HB       PRO  59  -2.863   8.859   2.325
  468   2HB   PRO  59          2HB       PRO  59  -2.537   7.584   1.145
  469   1HG   PRO  59          1HG       PRO  59  -5.120   8.956   1.787
  470   2HG   PRO  59          2HG       PRO  59  -4.439   8.536   0.203
  471   1HD   PRO  59          1HD       PRO  59  -6.362   7.053   1.404
  472   2HD   PRO  59          2HD       PRO  59  -5.124   6.341   0.349
  473    H    ALA  60           H        ALA  60  -5.691   7.006   4.243
  474    HA   ALA  60           HA       ALA  60  -4.943   9.062   6.086
  475   1HB   ALA  60          1HB       ALA  60  -7.253   8.796   5.330
  476   2HB   ALA  60          2HB       ALA  60  -7.333   7.224   6.125
  477   3HB   ALA  60          3HB       ALA  60  -7.134   8.688   7.085
  478    H    TYR  61           H        TYR  61  -4.107   5.880   5.932
  479    HA   TYR  61           HA       TYR  61  -3.604   5.782   8.826
  480   1HB   TYR  61          1HB       TYR  61  -4.525   3.462   7.115
  481   2HB   TYR  61          2HB       TYR  61  -4.053   3.355   8.807
  482    HD1  TYR  61           HD1      TYR  61  -6.741   3.897   6.539
  483    HD2  TYR  61           HD2      TYR  61  -5.419   4.754  10.491
  484    HE1  TYR  61           HE1      TYR  61  -9.060   4.375   7.204
  485    HE2  TYR  61           HE2      TYR  61  -7.734   5.235  11.167
  486    HH   TYR  61           HH       TYR  61 -10.423   4.466   9.190
  487    H    LEU  62           H        LEU  62  -2.120   6.262   6.122
  488    HA   LEU  62           HA       LEU  62   0.056   4.333   6.583
  489   1HB   LEU  62          1HB       LEU  62  -1.014   5.652   4.152
  490   2HB   LEU  62          2HB       LEU  62   0.718   5.392   4.217
  491    HG   LEU  62           HG       LEU  62   0.396   2.999   4.467
  492   1HD1  LEU  62          1HD1      LEU  62  -2.557   3.627   4.380
  493   2HD1  LEU  62          2HD1      LEU  62  -1.846   2.005   4.316
  494   3HD1  LEU  62          3HD1      LEU  62  -1.654   3.000   5.770
  495   1HD2  LEU  62          1HD2      LEU  62   0.472   3.944   2.209
  496   2HD2  LEU  62          2HD2      LEU  62  -0.554   2.511   2.280
  497   3HD2  LEU  62          3HD2      LEU  62  -1.283   4.116   2.223
  498    H    ASP  63           H        ASP  63   2.144   5.018   6.839
  499    HA   ASP  63           HA       ASP  63   2.519   7.916   7.221
  500   1HB   ASP  63          1HB       ASP  63   3.820   5.599   8.669
  501   2HB   ASP  63          2HB       ASP  63   4.292   7.284   8.868
  502    H    ARG  64           H        ARG  64   4.002   8.880   5.987
  503    HA   ARG  64           HA       ARG  64   5.436   7.386   4.020
  504   1HB   ARG  64          1HB       ARG  64   4.593   9.574   3.461
  505   2HB   ARG  64          2HB       ARG  64   5.507  10.310   4.769
  506   1HG   ARG  64          1HG       ARG  64   7.568   9.930   3.662
  507   2HG   ARG  64          2HG       ARG  64   6.805   8.885   2.463
  508   1HD   ARG  64          1HD       ARG  64   7.313  11.141   1.594
  509   2HD   ARG  64          2HD       ARG  64   5.594  10.753   1.540
  510    HE   ARG  64           HE       ARG  64   6.146  12.097   3.939
  511   1HH1  ARG  64          1HH1      ARG  64   6.034  12.693   0.508
  512   2HH1  ARG  64          2HH1      ARG  64   5.621  14.366   0.683
  513   1HH2  ARG  64          1HH2      ARG  64   5.600  14.297   4.178
  514   2HH2  ARG  64          2HH2      ARG  64   5.375  15.278   2.769
  515    H    ARG  65           H        ARG  65   7.455   6.659   4.030
  516    HA   ARG  65           HA       ARG  65   9.391   7.724   5.942
  517   1HB   ARG  65          1HB       ARG  65   8.691   4.795   5.689
  518   2HB   ARG  65          2HB       ARG  65  10.102   5.405   6.541
  519   1HG   ARG  65          1HG       ARG  65   8.585   6.665   8.044
  520   2HG   ARG  65          2HG       ARG  65   7.217   5.895   7.239
  521   1HD   ARG  65          1HD       ARG  65   7.796   4.735   9.309
  522   2HD   ARG  65          2HD       ARG  65   8.047   3.702   7.902
  523    HE   ARG  65           HE       ARG  65  10.491   4.648   8.216
  524   1HH1  ARG  65          1HH1      ARG  65   8.241   3.528  10.633
  525   2HH1  ARG  65          2HH1      ARG  65   9.477   2.977  11.712
  526   1HH2  ARG  65          1HH2      ARG  65  12.125   3.921   9.634
  527   2HH2  ARG  65          2HH2      ARG  65  11.683   3.199  11.145
  528    H    LEU  66           H        LEU  66  11.493   7.666   5.230
  529    HA   LEU  66           HA       LEU  66  11.884   6.636   2.497
  530   1HB   LEU  66          1HB       LEU  66  13.282   8.918   3.893
  531   2HB   LEU  66          2HB       LEU  66  13.645   8.351   2.275
  532    HG   LEU  66           HG       LEU  66  10.984   9.503   3.116
  533   1HD1  LEU  66          1HD1      LEU  66  13.258  10.783   1.604
  534   2HD1  LEU  66          2HD1      LEU  66  11.662  11.490   1.860
  535   3HD1  LEU  66          3HD1      LEU  66  12.727  11.196   3.235
  536   1HD2  LEU  66          1HD2      LEU  66  12.112   8.827   0.401
  537   2HD2  LEU  66          2HD2      LEU  66  10.829   7.956   1.242
  538   3HD2  LEU  66          3HD2      LEU  66  10.564   9.615   0.706
  539    H    LYS  67           H        LYS  67  13.212   4.971   2.291
  540    HA   LYS  67           HA       LYS  67  15.110   4.402   4.461
  541   1HB   LYS  67          1HB       LYS  67  14.121   2.563   2.275
  542   2HB   LYS  67          2HB       LYS  67  15.145   2.109   3.629
  543   1HG   LYS  67          1HG       LYS  67  13.260   2.825   5.143
  544   2HG   LYS  67          2HG       LYS  67  12.259   2.940   3.694
  545   1HD   LYS  67          1HD       LYS  67  11.871   0.790   4.634
  546   2HD   LYS  67          2HD       LYS  67  12.880   0.549   3.206
  547   1HE   LYS  67          1HE       LYS  67  14.863   0.417   4.641
  548   2HE   LYS  67          2HE       LYS  67  13.847   0.649   6.063
  549   1HZ   LYS  67          1HZ       LYS  67  12.691  -1.414   5.505
  550   2HZ   LYS  67          2HZ       LYS  67  13.712  -1.642   4.176
  551   3HZ   LYS  67          3HZ       LYS  67  14.344  -1.678   5.746
  552    H    LEU  68           H        LEU  68  17.095   5.131   4.087
  553    HA   LEU  68           HA       LEU  68  18.350   4.534   1.530
  554   1HB   LEU  68          1HB       LEU  68  19.291   6.831   1.368
  555   2HB   LEU  68          2HB       LEU  68  17.560   6.745   1.111
  556    HG   LEU  68           HG       LEU  68  18.740   7.532   3.770
  557   1HD1  LEU  68          1HD1      LEU  68  19.602   9.055   2.061
  558   2HD1  LEU  68          2HD1      LEU  68  17.957   9.351   1.496
  559   3HD1  LEU  68          3HD1      LEU  68  18.438   9.856   3.115
  560   1HD2  LEU  68          1HD2      LEU  68  16.036   7.884   2.485
  561   2HD2  LEU  68          2HD2      LEU  68  16.432   6.908   3.899
  562   3HD2  LEU  68          3HD2      LEU  68  16.528   8.666   3.987

  No H/Q in entry =         562
  Start of MODEL    8
    1    H1   ILE   1           H1       ILE   1  11.957   7.914  -7.254
    2    H2   ILE   1           H2       ILE   1  10.383   8.483  -7.504
    3    H3   ILE   1           H3       ILE   1  11.696   9.542  -7.634
    4    HA   ILE   1           HA       ILE   1  12.184   9.308  -5.301
    5    HB   ILE   1           HB       ILE   1   9.266   9.951  -5.758
    6   1HG1  ILE   1          1HG1      ILE   1  11.680  11.775  -5.874
    7   2HG1  ILE   1          2HG1      ILE   1  10.819  11.160  -7.282
    8   1HG2  ILE   1          1HG2      ILE   1  11.176  10.818  -3.591
    9   2HG2  ILE   1          2HG2      ILE   1   9.533  11.421  -3.803
   10   3HG2  ILE   1          3HG2      ILE   1   9.805   9.725  -3.404
   11   1HD1  ILE   1          1HD1      ILE   1   8.795  12.324  -6.521
   12   2HD1  ILE   1          2HD1      ILE   1   9.705  12.978  -5.160
   13   3HD1  ILE   1          3HD1      ILE   1  10.144  13.423  -6.810
   14    H    PHE   2           H        PHE   2   8.996   7.837  -5.944
   15    HA   PHE   2           HA       PHE   2   7.902   6.081  -5.011
   16   1HB   PHE   2          1HB       PHE   2  10.658   5.100  -4.245
   17   2HB   PHE   2          2HB       PHE   2   9.193   4.131  -4.353
   18    HD1  PHE   2           HD1      PHE   2  11.988   5.513  -6.135
   19    HD2  PHE   2           HD2      PHE   2   8.124   3.789  -6.594
   20    HE1  PHE   2           HE1      PHE   2  12.488   5.029  -8.496
   21    HE2  PHE   2           HE2      PHE   2   8.618   3.301  -8.955
   22    HZ   PHE   2           HZ       PHE   2  10.802   3.921  -9.909
   23    H    ASP   3           H        ASP   3   6.738   6.881  -3.361
   24    HA   ASP   3           HA       ASP   3   8.040   7.403  -0.795
   25   1HB   ASP   3          1HB       ASP   3   6.433   9.053  -1.846
   26   2HB   ASP   3          2HB       ASP   3   5.151   7.886  -1.538
   27    H    ILE   4           H        ILE   4   8.318   5.547   0.323
   28    HA   ILE   4           HA       ILE   4   6.350   3.437   0.260
   29    HB   ILE   4           HB       ILE   4   8.811   3.628   1.996
   30   1HG1  ILE   4          1HG1      ILE   4   8.539   2.277  -0.698
   31   2HG1  ILE   4          2HG1      ILE   4   9.297   3.848  -0.457
   32   1HG2  ILE   4          1HG2      ILE   4   7.180   1.967   2.720
   33   2HG2  ILE   4          2HG2      ILE   4   7.166   1.262   1.104
   34   3HG2  ILE   4          3HG2      ILE   4   8.630   1.190   2.084
   35   1HD1  ILE   4          1HD1      ILE   4  10.978   2.811   0.980
   36   2HD1  ILE   4          2HD1      ILE   4  10.219   1.239   0.725
   37   3HD1  ILE   4          3HD1      ILE   4  10.958   2.093  -0.631
   38    H    TYR   5           H        TYR   5   4.946   2.876   1.818
   39    HA   TYR   5           HA       TYR   5   4.831   4.559   4.234
   40   1HB   TYR   5          1HB       TYR   5   2.516   3.376   2.689
   41   2HB   TYR   5          2HB       TYR   5   2.387   4.321   4.168
   42    HD1  TYR   5           HD1      TYR   5   2.897   4.434   0.566
   43    HD2  TYR   5           HD2      TYR   5   2.848   6.740   4.141
   44    HE1  TYR   5           HE1      TYR   5   2.755   6.493  -0.770
   45    HE2  TYR   5           HE2      TYR   5   2.705   8.806   2.815
   46    HH   TYR   5           HH       TYR   5   1.977   8.822  -0.488
   47    H    VAL   6           H        VAL   6   3.805   3.522   6.107
   48    HA   VAL   6           HA       VAL   6   4.141   0.595   6.074
   49    HB   VAL   6           HB       VAL   6   5.986   1.569   7.305
   50   1HG1  VAL   6          1HG1      VAL   6   4.974   3.707   7.888
   51   2HG1  VAL   6          2HG1      VAL   6   3.891   2.898   9.019
   52   3HG1  VAL   6          3HG1      VAL   6   5.629   2.912   9.318
   53   1HG2  VAL   6          1HG2      VAL   6   5.071  -0.539   8.120
   54   2HG2  VAL   6          2HG2      VAL   6   5.689   0.436   9.453
   55   3HG2  VAL   6          3HG2      VAL   6   3.952   0.340   9.163
   56    H    VAL   7           H        VAL   7   2.476  -0.573   6.788
   57    HA   VAL   7           HA       VAL   7   0.068   0.787   7.623
   58    HB   VAL   7           HB       VAL   7   0.569  -2.178   7.311
   59   1HG1  VAL   7          1HG1      VAL   7  -2.001  -0.609   7.503
   60   2HG1  VAL   7          2HG1      VAL   7  -1.879  -2.335   7.162
   61   3HG1  VAL   7          3HG1      VAL   7  -1.352  -1.704   8.723
   62   1HG2  VAL   7          1HG2      VAL   7  -0.589  -0.179   5.373
   63   2HG2  VAL   7          2HG2      VAL   7   0.948  -1.027   5.213
   64   3HG2  VAL   7          3HG2      VAL   7  -0.568  -1.928   5.141
   65    H    THR   8           H        THR   8  -0.451   1.188   9.658
   66    HA   THR   8           HA       THR   8   0.598  -0.580  11.768
   67    HB   THR   8           HB       THR   8   0.817   1.372  13.251
   68    HG1  THR   8           HG1      THR   8  -0.559   2.878  12.418
   69   1HG2  THR   8          1HG2      THR   8   2.775   0.613  11.998
   70   2HG2  THR   8          2HG2      THR   8   2.330   1.661  10.652
   71   3HG2  THR   8          3HG2      THR   8   2.800   2.365  12.200
   72    H    ALA   9           H        ALA   9  -2.005  -0.566  10.397
   73    HA   ALA   9           HA       ALA   9  -3.670  -0.378  12.789
   74   1HB   ALA   9          1HB       ALA   9  -5.460   0.786  11.597
   75   2HB   ALA   9          2HB       ALA   9  -4.427   0.922  10.175
   76   3HB   ALA   9          3HB       ALA   9  -3.991   1.759  11.666
   77    H    ASP  10           H        ASP  10  -2.518  -2.312  10.572
   78    HA   ASP  10           HA       ASP  10  -3.126  -4.273   9.591
   79   1HB   ASP  10          1HB       ASP  10  -5.320  -4.169  11.673
   80   2HB   ASP  10          2HB       ASP  10  -4.871  -5.594  10.742
   81    H    TYR  11           H        TYR  11  -3.689  -3.570   7.544
   82    HA   TYR  11           HA       TYR  11  -6.424  -2.688   7.062
   83   1HB   TYR  11          1HB       TYR  11  -4.464  -1.544   5.989
   84   2HB   TYR  11          2HB       TYR  11  -4.182  -3.012   5.060
   85    HD1  TYR  11           HD1      TYR  11  -6.596  -0.269   5.647
   86    HD2  TYR  11           HD2      TYR  11  -5.442  -3.480   3.105
   87    HE1  TYR  11           HE1      TYR  11  -8.178   0.521   3.940
   88    HE2  TYR  11           HE2      TYR  11  -7.021  -2.697   1.390
   89    HH   TYR  11           HH       TYR  11  -8.512   0.355   1.521
   90    H    LEU  12           H        LEU  12  -7.449  -4.694   7.566
   91    HA   LEU  12           HA       LEU  12  -7.121  -6.747   5.478
   92   1HB   LEU  12          1HB       LEU  12  -7.857  -6.970   8.380
   93   2HB   LEU  12          2HB       LEU  12  -8.300  -8.226   7.242
   94    HG   LEU  12           HG       LEU  12  -6.280  -8.858   8.397
   95   1HD1  LEU  12          1HD1      LEU  12  -6.474  -9.531   6.066
   96   2HD1  LEU  12          2HD1      LEU  12  -5.682  -8.038   5.559
   97   3HD1  LEU  12          3HD1      LEU  12  -4.790  -9.233   6.501
   98   1HD2  LEU  12          1HD2      LEU  12  -5.552  -6.550   8.958
   99   2HD2  LEU  12          2HD2      LEU  12  -4.256  -7.575   8.339
  100   3HD2  LEU  12          3HD2      LEU  12  -4.999  -6.365   7.293
  101    HA   PRO  13           HA       PRO  13 -11.203  -5.147   4.319
  102   1HB   PRO  13          1HB       PRO  13 -10.991  -7.381   2.380
  103   2HB   PRO  13          2HB       PRO  13 -11.350  -5.676   2.096
  104   1HG   PRO  13          1HG       PRO  13  -8.977  -6.703   1.447
  105   2HG   PRO  13          2HG       PRO  13  -9.113  -5.066   2.116
  106   1HD   PRO  13          1HD       PRO  13  -8.252  -7.598   3.457
  107   2HD   PRO  13          2HD       PRO  13  -7.612  -5.951   3.638
  108    H    LEU  14           H        LEU  14 -13.130  -5.739   5.106
  109    HA   LEU  14           HA       LEU  14 -13.444  -8.503   6.040
  110   1HB   LEU  14          1HB       LEU  14 -15.037  -6.048   6.782
  111   2HB   LEU  14          2HB       LEU  14 -15.210  -7.641   7.491
  112    HG   LEU  14           HG       LEU  14 -12.781  -5.862   7.718
  113   1HD1  LEU  14          1HD1      LEU  14 -14.879  -6.640   9.737
  114   2HD1  LEU  14          2HD1      LEU  14 -13.410  -5.729  10.087
  115   3HD1  LEU  14          3HD1      LEU  14 -14.645  -5.041   9.031
  116   1HD2  LEU  14          1HD2      LEU  14 -13.352  -8.575   8.908
  117   2HD2  LEU  14          2HD2      LEU  14 -12.127  -8.194   7.699
  118   3HD2  LEU  14          3HD2      LEU  14 -11.986  -7.544   9.333
  119    H    GLY  15           H        GLY  15 -14.178  -9.597   4.280
  120   1HA   GLY  15          1HA       GLY  15 -16.775  -8.698   3.191
  121   2HA   GLY  15          2HA       GLY  15 -16.327 -10.384   3.403
  122    H    ALA  16           H        ALA  16 -17.260  -9.471   0.979
  123    HA   ALA  16           HA       ALA  16 -14.912  -9.927  -0.695
  124   1HB   ALA  16          1HB       ALA  16 -16.463 -10.509  -2.448
  125   2HB   ALA  16          2HB       ALA  16 -17.824  -9.950  -1.476
  126   3HB   ALA  16          3HB       ALA  16 -16.902 -11.366  -0.971
  127    H    GLU  17           H        GLU  17 -13.895  -7.989  -0.943
  128    HA   GLU  17           HA       GLU  17 -15.490  -5.751  -1.997
  129   1HB   GLU  17          1HB       GLU  17 -12.892  -5.823  -0.479
  130   2HB   GLU  17          2HB       GLU  17 -13.408  -4.397  -1.367
  131   1HG   GLU  17          1HG       GLU  17 -13.998  -4.157   0.944
  132   2HG   GLU  17          2HG       GLU  17 -15.464  -4.333  -0.016
  133    H    GLN  18           H        GLN  18 -14.655  -4.518  -3.742
  134    HA   GLN  18           HA       GLN  18 -12.924  -6.093  -5.517
  135   1HB   GLN  18          1HB       GLN  18 -13.922  -4.867  -7.364
  136   2HB   GLN  18          2HB       GLN  18 -15.183  -5.580  -6.370
  137   1HG   GLN  18          1HG       GLN  18 -14.298  -2.717  -6.132
  138   2HG   GLN  18          2HG       GLN  18 -15.625  -3.251  -7.161
  139   1HE2  GLN  18          1HE2      GLN  18 -15.638  -1.443  -4.873
  140   2HE2  GLN  18          2HE2      GLN  18 -16.751  -2.116  -3.735
  141    H    ASP  19           H        ASP  19 -11.223  -5.106  -6.642
  142    HA   ASP  19           HA       ASP  19  -9.408  -3.759  -6.878
  143   1HB   ASP  19          1HB       ASP  19 -11.349  -1.589  -6.048
  144   2HB   ASP  19          2HB       ASP  19  -9.778  -1.324  -6.799
  145    H    ALA  20           H        ALA  20 -10.284  -4.854  -4.157
  146    HA   ALA  20           HA       ALA  20  -8.710  -3.047  -2.449
  147   1HB   ALA  20          1HB       ALA  20 -10.984  -3.489  -1.664
  148   2HB   ALA  20          2HB       ALA  20 -10.640  -5.219  -1.638
  149   3HB   ALA  20          3HB       ALA  20  -9.780  -4.132  -0.547
  150    H    ILE  21           H        ILE  21  -6.744  -3.646  -1.827
  151    HA   ILE  21           HA       ILE  21  -5.910  -6.422  -2.288
  152    HB   ILE  21           HB       ILE  21  -4.562  -4.776  -3.451
  153   1HG1  ILE  21          1HG1      ILE  21  -3.015  -5.856  -1.085
  154   2HG1  ILE  21          2HG1      ILE  21  -3.476  -6.811  -2.491
  155   1HG2  ILE  21          1HG2      ILE  21  -4.042  -3.584  -0.732
  156   2HG2  ILE  21          2HG2      ILE  21  -3.246  -3.104  -2.231
  157   3HG2  ILE  21          3HG2      ILE  21  -4.980  -2.854  -2.035
  158   1HD1  ILE  21          1HD1      ILE  21  -2.135  -5.354  -3.917
  159   2HD1  ILE  21          2HD1      ILE  21  -1.670  -4.405  -2.504
  160   3HD1  ILE  21          3HD1      ILE  21  -1.168  -6.090  -2.638
  161    H    THR  22           H        THR  22  -5.079  -7.682  -0.677
  162    HA   THR  22           HA       THR  22  -5.683  -6.893   2.026
  163    HB   THR  22           HB       THR  22  -4.999  -9.151   2.656
  164    HG1  THR  22           HG1      THR  22  -3.581 -10.127   1.439
  165   1HG2  THR  22          1HG2      THR  22  -7.262  -8.814   1.760
  166   2HG2  THR  22          2HG2      THR  22  -6.663  -9.146   0.135
  167   3HG2  THR  22          3HG2      THR  22  -6.639 -10.414   1.359
  168    H    LEU  23           H        LEU  23  -4.338  -5.999   3.432
  169    HA   LEU  23           HA       LEU  23  -1.442  -6.331   3.032
  170   1HB   LEU  23          1HB       LEU  23  -2.970  -3.824   3.689
  171   2HB   LEU  23          2HB       LEU  23  -1.257  -3.981   4.023
  172    HG   LEU  23           HG       LEU  23  -2.530  -4.174   1.291
  173   1HD1  LEU  23          1HD1      LEU  23  -0.878  -1.997   2.562
  174   2HD1  LEU  23          2HD1      LEU  23  -1.401  -2.039   0.878
  175   3HD1  LEU  23          3HD1      LEU  23  -2.596  -1.911   2.169
  176   1HD2  LEU  23          1HD2      LEU  23   0.367  -4.203   2.131
  177   2HD2  LEU  23          2HD2      LEU  23  -0.540  -5.563   1.466
  178   3HD2  LEU  23          3HD2      LEU  23  -0.221  -4.144   0.469
  179    H    ARG  24           H        ARG  24  -0.202  -6.596   4.849
  180    HA   ARG  24           HA       ARG  24  -1.696  -7.046   7.340
  181   1HB   ARG  24          1HB       ARG  24   0.986  -8.144   6.473
  182   2HB   ARG  24          2HB       ARG  24   0.168  -8.521   7.984
  183   1HG   ARG  24          1HG       ARG  24  -1.647  -9.575   6.767
  184   2HG   ARG  24          2HG       ARG  24  -0.889  -9.148   5.233
  185   1HD   ARG  24          1HD       ARG  24   1.042 -10.534   5.799
  186   2HD   ARG  24          2HD       ARG  24   0.300 -10.947   7.345
  187    HE   ARG  24           HE       ARG  24  -1.515 -11.650   5.373
  188   1HH1  ARG  24          1HH1      ARG  24   1.718 -12.540   6.323
  189   2HH1  ARG  24          2HH1      ARG  24   1.579 -14.165   5.741
  190   1HH2  ARG  24          1HH2      ARG  24  -1.706 -13.785   4.605
  191   2HH2  ARG  24          2HH2      ARG  24  -0.367 -14.873   4.765
  192    H    GLU  25           H        GLU  25  -1.225  -5.928   9.144
  193    HA   GLU  25           HA       GLU  25   0.112  -3.516   9.088
  194   1HB   GLU  25          1HB       GLU  25  -1.482  -4.118  10.838
  195   2HB   GLU  25          2HB       GLU  25  -0.369  -5.321  11.467
  196   1HG   GLU  25          1HG       GLU  25   0.415  -2.437  11.307
  197   2HG   GLU  25          2HG       GLU  25  -0.556  -3.043  12.647
  198    H    GLY  26           H        GLY  26   2.173  -3.096   8.727
  199   1HA   GLY  26          1HA       GLY  26   4.197  -4.923   9.867
  200   2HA   GLY  26          2HA       GLY  26   4.418  -3.184   9.741
  201    H    GLN  27           H        GLN  27   2.923  -3.632   7.006
  202    HA   GLN  27           HA       GLN  27   5.175  -4.711   5.490
  203   1HB   GLN  27          1HB       GLN  27   2.301  -4.711   5.210
  204   2HB   GLN  27          2HB       GLN  27   3.064  -4.071   3.766
  205   1HG   GLN  27          1HG       GLN  27   4.428  -6.084   3.587
  206   2HG   GLN  27          2HG       GLN  27   3.685  -6.714   5.056
  207   1HE2  GLN  27          1HE2      GLN  27   3.236  -6.022   1.681
  208   2HE2  GLN  27          2HE2      GLN  27   1.772  -6.916   1.483
  209    H    TYR  28           H        TYR  28   6.011  -3.575   3.678
  210    HA   TYR  28           HA       TYR  28   5.599  -0.658   3.803
  211   1HB   TYR  28          1HB       TYR  28   8.124  -2.025   2.874
  212   2HB   TYR  28          2HB       TYR  28   7.901  -0.328   3.288
  213    HD1  TYR  28           HD1      TYR  28   7.493   0.286   5.702
  214    HD2  TYR  28           HD2      TYR  28   8.737  -3.604   4.513
  215    HE1  TYR  28           HE1      TYR  28   8.221  -0.179   8.005
  216    HE2  TYR  28           HE2      TYR  28   9.468  -4.080   6.813
  217    HH   TYR  28           HH       TYR  28   8.630  -2.109   9.453
  218    H    VAL  29           H        VAL  29   5.212   0.431   1.918
  219    HA   VAL  29           HA       VAL  29   5.669  -0.805  -0.646
  220    HB   VAL  29           HB       VAL  29   3.638  -1.935  -0.245
  221   1HG1  VAL  29          1HG1      VAL  29   2.475   0.697   0.662
  222   2HG1  VAL  29          2HG1      VAL  29   1.586  -0.819   0.508
  223   3HG1  VAL  29          3HG1      VAL  29   2.885  -0.675   1.693
  224   1HG2  VAL  29          1HG2      VAL  29   3.823  -0.820  -2.452
  225   2HG2  VAL  29          2HG2      VAL  29   2.155  -1.075  -1.937
  226   3HG2  VAL  29          3HG2      VAL  29   2.883   0.527  -1.814
  227    H    GLU  30           H        GLU  30   6.257   0.761  -1.995
  228    HA   GLU  30           HA       GLU  30   5.753   3.521  -1.386
  229   1HB   GLU  30          1HB       GLU  30   7.152   4.018  -3.309
  230   2HB   GLU  30          2HB       GLU  30   7.915   2.781  -2.324
  231   1HG   GLU  30          1HG       GLU  30   6.282   2.146  -4.761
  232   2HG   GLU  30          2HG       GLU  30   8.018   2.447  -4.814
  233    H    VAL  31           H        VAL  31   4.699   5.028  -2.796
  234    HA   VAL  31           HA       VAL  31   2.350   3.871  -4.048
  235    HB   VAL  31           HB       VAL  31   2.084   5.795  -2.548
  236   1HG1  VAL  31          1HG1      VAL  31   4.217   6.911  -3.063
  237   2HG1  VAL  31          2HG1      VAL  31   3.579   7.367  -4.642
  238   3HG1  VAL  31          3HG1      VAL  31   2.841   8.008  -3.175
  239   1HG2  VAL  31          1HG2      VAL  31   1.365   6.376  -5.419
  240   2HG2  VAL  31          2HG2      VAL  31   0.419   5.425  -4.274
  241   3HG2  VAL  31          3HG2      VAL  31   0.649   7.154  -4.009
  242    H    LEU  32           H        LEU  32   1.870   3.874  -6.173
  243    HA   LEU  32           HA       LEU  32   4.013   4.507  -8.027
  244   1HB   LEU  32          1HB       LEU  32   1.351   3.132  -8.344
  245   2HB   LEU  32          2HB       LEU  32   2.390   3.495  -9.707
  246    HG   LEU  32           HG       LEU  32   3.099   1.699  -7.384
  247   1HD1  LEU  32          1HD1      LEU  32   2.391   1.093 -10.250
  248   2HD1  LEU  32          2HD1      LEU  32   3.028  -0.078  -9.096
  249   3HD1  LEU  32          3HD1      LEU  32   1.455   0.670  -8.816
  250   1HD2  LEU  32          1HD2      LEU  32   4.632   2.347  -9.901
  251   2HD2  LEU  32          2HD2      LEU  32   5.058   2.854  -8.267
  252   3HD2  LEU  32          3HD2      LEU  32   5.088   1.144  -8.694
  253    H    ASP  33           H        ASP  33   0.519   4.944  -8.459
  254    HA   ASP  33           HA       ASP  33   1.070   7.577  -9.633
  255   1HB   ASP  33          1HB       ASP  33  -1.330   5.753  -9.894
  256   2HB   ASP  33          2HB       ASP  33  -1.213   7.352 -10.623
  257    H    ALA  34           H        ALA  34   0.405   9.391  -8.675
  258    HA   ALA  34           HA       ALA  34  -1.200   9.148  -6.231
  259   1HB   ALA  34          1HB       ALA  34   0.990  10.226  -6.012
  260   2HB   ALA  34          2HB       ALA  34   0.497  11.454  -7.178
  261   3HB   ALA  34          3HB       ALA  34  -0.326  11.334  -5.624
  262    H    ALA  35           H        ALA  35  -3.311   9.319  -6.685
  263    HA   ALA  35           HA       ALA  35  -4.232  11.767  -7.978
  264   1HB   ALA  35          1HB       ALA  35  -5.155   9.035  -8.866
  265   2HB   ALA  35          2HB       ALA  35  -4.111  10.119  -9.786
  266   3HB   ALA  35          3HB       ALA  35  -5.778  10.581  -9.443
  267    H    HIS  36           H        HIS  36  -5.809  12.651  -6.830
  268    HA   HIS  36           HA       HIS  36  -7.508  12.959  -5.358
  269   1HB   HIS  36          1HB       HIS  36  -8.090  10.031  -5.848
  270   2HB   HIS  36          2HB       HIS  36  -9.183  11.187  -5.093
  271    HD1  HIS  36           HD1      HIS  36  -8.939   9.539  -8.110
  272    HD2  HIS  36           HD2      HIS  36  -9.342  13.564  -7.160
  273    HE1  HIS  36           HE1      HIS  36  -9.893  10.623 -10.170
  274    HE2  HIS  36           HE2      HIS  36 -10.112  13.062  -9.578
  275    HA   PRO  37           HA       PRO  37  -5.038  11.939  -1.695
  276   1HB   PRO  37          1HB       PRO  37  -7.333  13.473  -0.538
  277   2HB   PRO  37          2HB       PRO  37  -5.611  13.639  -0.219
  278   1HG   PRO  37          1HG       PRO  37  -6.776  15.380  -1.722
  279   2HG   PRO  37          2HG       PRO  37  -5.200  14.746  -2.209
  280   1HD   PRO  37          1HD       PRO  37  -7.918  14.077  -3.276
  281   2HD   PRO  37          2HD       PRO  37  -6.382  14.274  -4.148
  282    H    LEU  38           H        LEU  38  -8.436  11.372  -2.243
  283    HA   LEU  38           HA       LEU  38  -9.143   9.992   0.065
  284   1HB   LEU  38          1HB       LEU  38 -10.063   9.456  -2.760
  285   2HB   LEU  38          2HB       LEU  38 -10.872   8.909  -1.305
  286    HG   LEU  38           HG       LEU  38 -10.501  11.798  -2.102
  287   1HD1  LEU  38          1HD1      LEU  38 -12.050  10.640  -3.579
  288   2HD1  LEU  38          2HD1      LEU  38 -12.947  10.038  -2.186
  289   3HD1  LEU  38          3HD1      LEU  38 -12.907  11.768  -2.529
  290   1HD2  LEU  38          1HD2      LEU  38 -10.577  11.481   0.318
  291   2HD2  LEU  38          2HD2      LEU  38 -12.042  12.269  -0.268
  292   3HD2  LEU  38          3HD2      LEU  38 -12.070  10.556   0.155
  293    H    ARG  39           H        ARG  39  -7.975   8.605  -3.010
  294    HA   ARG  39           HA       ARG  39  -6.677   6.467  -1.515
  295   1HB   ARG  39          1HB       ARG  39  -7.658   4.730  -2.991
  296   2HB   ARG  39          2HB       ARG  39  -8.849   5.514  -1.962
  297   1HG   ARG  39          1HG       ARG  39  -9.332   7.021  -3.962
  298   2HG   ARG  39          2HG       ARG  39  -8.417   5.847  -4.910
  299   1HD   ARG  39          1HD       ARG  39 -10.870   5.281  -3.247
  300   2HD   ARG  39          2HD       ARG  39 -10.804   5.373  -5.007
  301    HE   ARG  39           HE       ARG  39  -9.145   3.427  -4.728
  302   1HH1  ARG  39          1HH1      ARG  39 -11.903   4.018  -2.680
  303   2HH1  ARG  39          2HH1      ARG  39 -12.135   2.346  -2.291
  304   1HH2  ARG  39          1HH2      ARG  39  -9.447   1.223  -4.223
  305   2HH2  ARG  39          2HH2      ARG  39 -10.742   0.759  -3.169
  306    H    TRP  40           H        TRP  40  -4.757   5.942  -2.354
  307    HA   TRP  40           HA       TRP  40  -4.117   6.955  -5.042
  308   1HB   TRP  40          1HB       TRP  40  -2.303   6.509  -2.664
  309   2HB   TRP  40          2HB       TRP  40  -1.745   6.974  -4.266
  310    HD1  TRP  40           HD1      TRP  40  -4.020   9.195  -4.836
  311    HE1  TRP  40           HE1      TRP  40  -3.874  11.444  -3.593
  312    HE3  TRP  40           HE3      TRP  40  -1.065   7.768  -0.915
  313    HZ2  TRP  40           HZ2      TRP  40  -2.666  12.478  -1.263
  314    HZ3  TRP  40           HZ3      TRP  40  -0.457   9.449   0.776
  315    HH2  TRP  40           HH2      TRP  40  -1.242  11.755   0.604
  316    H    LEU  41           H        LEU  41  -2.675   5.705  -6.355
  317    HA   LEU  41           HA       LEU  41  -3.172   2.860  -6.113
  318   1HB   LEU  41          1HB       LEU  41  -3.438   3.989  -8.275
  319   2HB   LEU  41          2HB       LEU  41  -1.748   4.452  -8.248
  320    HG   LEU  41           HG       LEU  41  -1.089   2.090  -8.384
  321   1HD1  LEU  41          1HD1      LEU  41  -4.061   1.595  -8.514
  322   2HD1  LEU  41          2HD1      LEU  41  -2.824   0.397  -8.896
  323   3HD1  LEU  41          3HD1      LEU  41  -2.948   1.047  -7.261
  324   1HD2  LEU  41          1HD2      LEU  41  -3.051   2.960 -10.504
  325   2HD2  LEU  41          2HD2      LEU  41  -1.335   3.356 -10.440
  326   3HD2  LEU  41          3HD2      LEU  41  -1.845   1.686 -10.687
  327    H    VAL  42           H        VAL  42  -1.810   1.514  -5.123
  328    HA   VAL  42           HA       VAL  42   1.058   2.183  -5.114
  329    HB   VAL  42           HB       VAL  42   1.286   1.343  -2.849
  330   1HG1  VAL  42          1HG1      VAL  42   0.790   3.723  -3.166
  331   2HG1  VAL  42          2HG1      VAL  42  -0.933   3.379  -3.027
  332   3HG1  VAL  42          3HG1      VAL  42   0.133   3.117  -1.647
  333   1HG2  VAL  42          1HG2      VAL  42  -1.703   0.941  -2.933
  334   2HG2  VAL  42          2HG2      VAL  42  -0.477  -0.324  -2.853
  335   3HG2  VAL  42          3HG2      VAL  42  -0.692   0.782  -1.497
  336    H    ARG  43           H        ARG  43   2.495   0.361  -4.822
  337    HA   ARG  43           HA       ARG  43   1.347  -2.271  -5.412
  338   1HB   ARG  43          1HB       ARG  43   1.957  -1.324  -7.579
  339   2HB   ARG  43          2HB       ARG  43   3.575  -0.967  -6.991
  340   1HG   ARG  43          1HG       ARG  43   3.932  -3.404  -6.668
  341   2HG   ARG  43          2HG       ARG  43   2.360  -3.688  -7.419
  342   1HD   ARG  43          1HD       ARG  43   4.138  -3.956  -9.049
  343   2HD   ARG  43          2HD       ARG  43   3.141  -2.559  -9.452
  344    HE   ARG  43           HE       ARG  43   5.291  -1.670  -7.909
  345   1HH1  ARG  43          1HH1      ARG  43   4.701  -3.075 -11.044
  346   2HH1  ARG  43          2HH1      ARG  43   6.081  -2.331 -11.778
  347   1HH2  ARG  43          1HH2      ARG  43   7.109  -0.689  -8.869
  348   2HH2  ARG  43          2HH2      ARG  43   7.449  -0.974 -10.543
  349    H    THR  44           H        THR  44   2.021  -3.505  -3.780
  350    HA   THR  44           HA       THR  44   4.288  -2.905  -2.183
  351    HB   THR  44           HB       THR  44   3.818  -4.900  -0.965
  352    HG1  THR  44           HG1      THR  44   1.836  -5.835  -2.678
  353   1HG2  THR  44          1HG2      THR  44   1.226  -3.736  -1.990
  354   2HG2  THR  44          2HG2      THR  44   1.410  -4.688  -0.517
  355   3HG2  THR  44          3HG2      THR  44   2.189  -3.111  -0.651
  356    H    LYS  45           H        LYS  45   6.205  -4.107  -1.901
  357    HA   LYS  45           HA       LYS  45   7.411  -4.958  -4.344
  358   1HB   LYS  45          1HB       LYS  45   8.431  -5.120  -1.501
  359   2HB   LYS  45          2HB       LYS  45   9.401  -5.377  -2.946
  360   1HG   LYS  45          1HG       LYS  45   9.153  -3.100  -3.607
  361   2HG   LYS  45          2HG       LYS  45   7.958  -2.806  -2.343
  362   1HD   LYS  45          1HD       LYS  45  10.049  -1.883  -1.627
  363   2HD   LYS  45          2HD       LYS  45   9.720  -3.317  -0.654
  364   1HE   LYS  45          1HE       LYS  45  12.059  -3.231  -1.355
  365   2HE   LYS  45          2HE       LYS  45  11.233  -4.623  -2.052
  366   1HZ   LYS  45          1HZ       LYS  45  10.991  -3.387  -4.121
  367   2HZ   LYS  45          2HZ       LYS  45  11.803  -2.064  -3.449
  368   3HZ   LYS  45          3HZ       LYS  45  12.620  -3.527  -3.687
  369    HA   PRO  46           HA       PRO  46   5.989  -9.213  -4.019
  370   1HB   PRO  46          1HB       PRO  46   7.568 -10.191  -6.040
  371   2HB   PRO  46          2HB       PRO  46   6.017  -9.386  -6.295
  372   1HG   PRO  46          1HG       PRO  46   8.788  -8.281  -6.513
  373   2HG   PRO  46          2HG       PRO  46   7.384  -8.002  -7.560
  374   1HD   PRO  46          1HD       PRO  46   8.161  -6.197  -5.724
  375   2HD   PRO  46          2HD       PRO  46   6.448  -6.462  -6.108
  376    H    THR  47           H        THR  47   6.801 -11.191  -3.299
  377    HA   THR  47           HA       THR  47   9.284 -11.006  -1.831
  378    HB   THR  47           HB       THR  47   8.692 -13.158  -0.872
  379    HG1  THR  47           HG1      THR  47   7.785 -14.235  -2.604
  380   1HG2  THR  47          1HG2      THR  47   6.296 -11.330  -1.087
  381   2HG2  THR  47          2HG2      THR  47   6.522 -12.582   0.135
  382   3HG2  THR  47          3HG2      THR  47   7.610 -11.195   0.083
  383    H    LYS  48           H        LYS  48  10.065 -13.716  -1.888
  384    HA   LYS  48           HA       LYS  48  11.409 -13.766  -4.482
  385   1HB   LYS  48          1HB       LYS  48  12.932 -15.375  -3.434
  386   2HB   LYS  48          2HB       LYS  48  12.818 -13.892  -2.500
  387   1HG   LYS  48          1HG       LYS  48  11.321 -14.973  -0.922
  388   2HG   LYS  48          2HG       LYS  48  11.370 -16.457  -1.877
  389   1HD   LYS  48          1HD       LYS  48  12.877 -16.707  -0.032
  390   2HD   LYS  48          2HD       LYS  48  13.835 -16.534  -1.504
  391   1HE   LYS  48          1HE       LYS  48  14.213 -14.178  -0.988
  392   2HE   LYS  48          2HE       LYS  48  13.233 -14.332   0.470
  393   1HZ   LYS  48          1HZ       LYS  48  15.767 -15.787  -0.065
  394   2HZ   LYS  48          2HZ       LYS  48  15.596 -14.456   0.964
  395   3HZ   LYS  48          3HZ       LYS  48  14.832 -15.918   1.338
  396    H    SER  49           H        SER  49   8.569 -14.771  -3.694
  397    HA   SER  49           HA       SER  49   8.628 -17.038  -5.461
  398   1HB   SER  49          1HB       SER  49   7.634 -18.639  -3.871
  399   2HB   SER  49          2HB       SER  49   9.245 -18.136  -3.358
  400    HG   SER  49           HG       SER  49   8.053 -17.931  -1.560
  401    H    SER  50           H        SER  50   7.221 -14.346  -4.359
  402    HA   SER  50           HA       SER  50   4.576 -15.171  -5.353
  403   1HB   SER  50          1HB       SER  50   4.444 -14.975  -2.908
  404   2HB   SER  50          2HB       SER  50   5.071 -13.329  -3.002
  405    HG   SER  50           HG       SER  50   2.553 -14.157  -3.243
  406    HA   PRO  51           HA       PRO  51   5.274 -11.846  -8.219
  407   1HB   PRO  51          1HB       PRO  51   2.680 -11.641  -9.079
  408   2HB   PRO  51          2HB       PRO  51   3.810 -12.877  -9.642
  409   1HG   PRO  51          1HG       PRO  51   1.721 -13.074  -7.500
  410   2HG   PRO  51          2HG       PRO  51   2.077 -14.210  -8.815
  411   1HD   PRO  51          1HD       PRO  51   2.967 -14.658  -6.351
  412   2HD   PRO  51          2HD       PRO  51   3.994 -15.006  -7.758
  413    H    SER  52           H        SER  52   4.651  -9.633  -8.519
  414    HA   SER  52           HA       SER  52   4.116  -8.269  -6.099
  415   1HB   SER  52          1HB       SER  52   5.508  -7.252  -7.809
  416   2HB   SER  52          2HB       SER  52   4.165  -7.262  -8.952
  417    HG   SER  52           HG       SER  52   3.879  -5.959  -6.484
  418    H    ARG  53           H        ARG  53   2.353  -6.950  -5.526
  419    HA   ARG  53           HA       ARG  53  -0.149  -7.463  -6.985
  420   1HB   ARG  53          1HB       ARG  53   0.271  -7.583  -3.995
  421   2HB   ARG  53          2HB       ARG  53  -1.310  -7.555  -4.764
  422   1HG   ARG  53          1HG       ARG  53   0.780  -9.676  -5.219
  423   2HG   ARG  53          2HG       ARG  53  -0.580  -9.815  -4.102
  424   1HD   ARG  53          1HD       ARG  53  -2.111  -9.437  -6.034
  425   2HD   ARG  53          2HD       ARG  53  -0.707  -9.499  -7.098
  426    HE   ARG  53           HE       ARG  53  -0.731 -11.815  -5.528
  427   1HH1  ARG  53          1HH1      ARG  53  -2.580 -10.311  -8.070
  428   2HH1  ARG  53          2HH1      ARG  53  -3.150 -11.812  -8.718
  429   1HH2  ARG  53          1HH2      ARG  53  -1.477 -13.797  -6.377
  430   2HH2  ARG  53          2HH2      ARG  53  -2.520 -13.793  -7.760
  431    H    GLN  54           H        GLN  54  -0.932  -5.605  -7.693
  432    HA   GLN  54           HA       GLN  54  -0.373  -3.148  -6.183
  433   1HB   GLN  54          1HB       GLN  54   0.388  -3.114  -8.494
  434   2HB   GLN  54          2HB       GLN  54  -1.216  -3.552  -9.059
  435   1HG   GLN  54          1HG       GLN  54  -2.033  -1.402  -8.028
  436   2HG   GLN  54          2HG       GLN  54  -0.338  -0.967  -7.814
  437   1HE2  GLN  54          1HE2      GLN  54  -2.897  -1.503 -10.095
  438   2HE2  GLN  54          2HE2      GLN  54  -2.104  -0.805 -11.462
  439    H    GLY  55           H        GLY  55  -1.961  -2.121  -5.147
  440   1HA   GLY  55          1HA       GLY  55  -4.361  -3.016  -4.441
  441   2HA   GLY  55          2HA       GLY  55  -4.721  -2.396  -6.044
  442    H    TRP  56           H        TRP  56  -6.220  -1.000  -4.849
  443    HA   TRP  56           HA       TRP  56  -4.947   1.534  -4.230
  444   1HB   TRP  56          1HB       TRP  56  -7.888   0.828  -4.346
  445   2HB   TRP  56          2HB       TRP  56  -7.211   2.452  -4.265
  446    HD1  TRP  56           HD1      TRP  56  -7.291  -0.577  -6.677
  447    HE1  TRP  56           HE1      TRP  56  -7.089   0.315  -9.082
  448    HE3  TRP  56           HE3      TRP  56  -6.583   4.382  -5.648
  449    HZ2  TRP  56           HZ2      TRP  56  -6.683   2.793 -10.374
  450    HZ3  TRP  56           HZ3      TRP  56  -6.297   5.946  -7.527
  451    HH2  TRP  56           HH2      TRP  56  -6.346   5.166  -9.840
  452    H    VAL  57           H        VAL  57  -4.566   2.253  -2.234
  453    HA   VAL  57           HA       VAL  57  -6.003   0.983   0.004
  454    HB   VAL  57           HB       VAL  57  -3.998   1.232   1.381
  455   1HG1  VAL  57          1HG1      VAL  57  -3.527  -0.243  -1.206
  456   2HG1  VAL  57          2HG1      VAL  57  -2.608  -0.483   0.278
  457   3HG1  VAL  57          3HG1      VAL  57  -4.328  -0.871   0.234
  458   1HG2  VAL  57          1HG2      VAL  57  -3.021   3.173   0.267
  459   2HG2  VAL  57          2HG2      VAL  57  -1.855   1.853   0.375
  460   3HG2  VAL  57          3HG2      VAL  57  -2.668   2.188  -1.153
  461    H    SER  58           H        SER  58  -5.908   2.331   2.036
  462    HA   SER  58           HA       SER  58  -6.569   5.093   1.336
  463   1HB   SER  58          1HB       SER  58  -7.128   3.511   3.856
  464   2HB   SER  58          2HB       SER  58  -7.660   5.165   3.558
  465    HG   SER  58           HG       SER  58  -9.314   4.305   2.609
  466    HA   PRO  59           HA       PRO  59  -2.581   6.232   3.089
  467   1HB   PRO  59          1HB       PRO  59  -2.846   8.914   2.745
  468   2HB   PRO  59          2HB       PRO  59  -2.413   7.812   1.432
  469   1HG   PRO  59          1HG       PRO  59  -5.080   8.990   2.115
  470   2HG   PRO  59          2HG       PRO  59  -4.312   8.805   0.527
  471   1HD   PRO  59          1HD       PRO  59  -6.217   7.110   1.413
  472   2HD   PRO  59          2HD       PRO  59  -4.882   6.574   0.370
  473    H    ALA  60           H        ALA  60  -5.661   6.779   4.307
  474    HA   ALA  60           HA       ALA  60  -5.068   8.619   6.396
  475   1HB   ALA  60          1HB       ALA  60  -7.347   8.273   5.590
  476   2HB   ALA  60          2HB       ALA  60  -7.314   6.616   6.194
  477   3HB   ALA  60          3HB       ALA  60  -7.230   7.967   7.323
  478    H    TYR  61           H        TYR  61  -4.133   5.450   5.917
  479    HA   TYR  61           HA       TYR  61  -3.603   5.107   8.795
  480   1HB   TYR  61          1HB       TYR  61  -4.215   2.889   6.829
  481   2HB   TYR  61          2HB       TYR  61  -3.885   2.698   8.547
  482    HD1  TYR  61           HD1      TYR  61  -5.525   3.774  10.194
  483    HD2  TYR  61           HD2      TYR  61  -6.398   3.227   6.067
  484    HE1  TYR  61           HE1      TYR  61  -7.926   3.995  10.679
  485    HE2  TYR  61           HE2      TYR  61  -8.801   3.447   6.540
  486    HH   TYR  61           HH       TYR  61  -9.999   4.622   9.469
  487    H    LEU  62           H        LEU  62  -2.179   5.926   6.090
  488    HA   LEU  62           HA       LEU  62   0.174   4.194   6.415
  489   1HB   LEU  62          1HB       LEU  62  -0.969   5.717   4.126
  490   2HB   LEU  62          2HB       LEU  62   0.769   5.507   4.184
  491    HG   LEU  62           HG       LEU  62   0.537   3.099   4.142
  492   1HD1  LEU  62          1HD1      LEU  62  -2.438   3.613   4.162
  493   2HD1  LEU  62          2HD1      LEU  62  -1.672   2.040   3.881
  494   3HD1  LEU  62          3HD1      LEU  62  -1.489   2.848   5.448
  495   1HD2  LEU  62          1HD2      LEU  62   0.554   4.281   2.003
  496   2HD2  LEU  62          2HD2      LEU  62  -0.434   2.822   1.922
  497   3HD2  LEU  62          3HD2      LEU  62  -1.205   4.403   2.053
  498    H    ASP  63           H        ASP  63   2.187   5.036   6.800
  499    HA   ASP  63           HA       ASP  63   2.276   7.894   7.515
  500   1HB   ASP  63          1HB       ASP  63   3.866   5.598   8.680
  501   2HB   ASP  63          2HB       ASP  63   4.039   7.289   9.137
  502    H    ARG  64           H        ARG  64   4.148   9.084   7.002
  503    HA   ARG  64           HA       ARG  64   5.448   8.221   4.586
  504   1HB   ARG  64          1HB       ARG  64   4.813  10.492   4.637
  505   2HB   ARG  64          2HB       ARG  64   5.514  10.739   6.229
  506   1HG   ARG  64          1HG       ARG  64   6.863  11.809   4.563
  507   2HG   ARG  64          2HG       ARG  64   7.757  10.463   5.265
  508   1HD   ARG  64          1HD       ARG  64   7.328   9.096   3.344
  509   2HD   ARG  64          2HD       ARG  64   6.224  10.299   2.674
  510    HE   ARG  64           HE       ARG  64   8.463  11.712   2.797
  511   1HH1  ARG  64          1HH1      ARG  64   7.961   8.438   1.710
  512   2HH1  ARG  64          2HH1      ARG  64   9.251   8.489   0.555
  513   1HH2  ARG  64          1HH2      ARG  64  10.161  11.786   1.278
  514   2HH2  ARG  64          2HH2      ARG  64  10.500  10.389   0.311
  515    H    ARG  65           H        ARG  65   7.305   7.180   4.459
  516    HA   ARG  65           HA       ARG  65   9.373   7.623   6.467
  517   1HB   ARG  65          1HB       ARG  65   9.788   5.160   6.627
  518   2HB   ARG  65          2HB       ARG  65   8.279   5.690   7.358
  519   1HG   ARG  65          1HG       ARG  65   7.000   4.824   5.564
  520   2HG   ARG  65          2HG       ARG  65   8.442   4.555   4.582
  521   1HD   ARG  65          1HD       ARG  65   7.884   3.169   7.199
  522   2HD   ARG  65          2HD       ARG  65   7.510   2.488   5.617
  523    HE   ARG  65           HE       ARG  65   9.955   2.639   5.168
  524   1HH1  ARG  65          1HH1      ARG  65   8.769   2.497   8.442
  525   2HH1  ARG  65          2HH1      ARG  65  10.229   1.819   9.078
  526   1HH2  ARG  65          1HH2      ARG  65  11.881   1.748   5.997
  527   2HH2  ARG  65          2HH2      ARG  65  11.998   1.392   7.688
  528    H    LEU  66           H        LEU  66  11.332   7.801   5.583
  529    HA   LEU  66           HA       LEU  66  11.788   6.627   2.929
  530   1HB   LEU  66          1HB       LEU  66  13.043   8.641   2.267
  531   2HB   LEU  66          2HB       LEU  66  11.342   8.956   2.537
  532    HG   LEU  66           HG       LEU  66  13.404   9.531   4.653
  533   1HD1  LEU  66          1HD1      LEU  66  14.050  10.720   2.611
  534   2HD1  LEU  66          2HD1      LEU  66  12.431  11.411   2.508
  535   3HD1  LEU  66          3HD1      LEU  66  13.482  11.825   3.863
  536   1HD2  LEU  66          1HD2      LEU  66  10.608  10.525   4.119
  537   2HD2  LEU  66          2HD2      LEU  66  11.136   9.494   5.449
  538   3HD2  LEU  66          3HD2      LEU  66  11.678  11.170   5.364
  539    H    LYS  67           H        LYS  67  13.308   5.146   3.193
  540    HA   LYS  67           HA       LYS  67  15.792   5.888   4.539
  541   1HB   LYS  67          1HB       LYS  67  14.234   3.382   5.204
  542   2HB   LYS  67          2HB       LYS  67  15.854   3.752   5.779
  543   1HG   LYS  67          1HG       LYS  67  15.034   5.632   7.033
  544   2HG   LYS  67          2HG       LYS  67  13.415   5.416   6.365
  545   1HD   LYS  67          1HD       LYS  67  13.290   3.205   7.436
  546   2HD   LYS  67          2HD       LYS  67  14.890   3.465   8.134
  547   1HE   LYS  67          1HE       LYS  67  13.112   3.945   9.747
  548   2HE   LYS  67          2HE       LYS  67  14.055   5.387   9.372
  549   1HZ   LYS  67          1HZ       LYS  67  12.304   6.072   7.839
  550   2HZ   LYS  67          2HZ       LYS  67  11.395   4.703   8.244
  551   3HZ   LYS  67          3HZ       LYS  67  11.705   5.888   9.411
  552    H    LEU  68           H        LEU  68  17.600   4.934   3.684
  553    HA   LEU  68           HA       LEU  68  17.147   3.184   1.359
  554   1HB   LEU  68          1HB       LEU  68  19.335   5.180   1.922
  555   2HB   LEU  68          2HB       LEU  68  19.421   4.011   0.618
  556    HG   LEU  68           HG       LEU  68  17.223   5.027  -0.216
  557   1HD1  LEU  68          1HD1      LEU  68  18.096   7.220   1.660
  558   2HD1  LEU  68          2HD1      LEU  68  16.832   7.354   0.437
  559   3HD1  LEU  68          3HD1      LEU  68  16.629   6.250   1.798
  560   1HD2  LEU  68          1HD2      LEU  68  19.363   5.351  -1.329
  561   2HD2  LEU  68          2HD2      LEU  68  18.401   6.828  -1.376
  562   3HD2  LEU  68          3HD2      LEU  68  19.741   6.684  -0.239

  No H/Q in entry =         562
  Start of MODEL    9
    1    H1   ILE   1           H1       ILE   1  12.631   5.906  -6.832
    2    H2   ILE   1           H2       ILE   1  12.024   7.483  -6.789
    3    H3   ILE   1           H3       ILE   1  13.696   7.220  -6.817
    4    HA   ILE   1           HA       ILE   1  13.616   6.185  -4.654
    5    HB   ILE   1           HB       ILE   1  12.207   8.858  -4.659
    6   1HG1  ILE   1          1HG1      ILE   1  14.245   8.905  -6.030
    7   2HG1  ILE   1          2HG1      ILE   1  14.452   9.845  -4.557
    8   1HG2  ILE   1          1HG2      ILE   1  13.886   7.493  -2.560
    9   2HG2  ILE   1          2HG2      ILE   1  13.319   9.160  -2.473
   10   3HG2  ILE   1          3HG2      ILE   1  12.157   7.835  -2.477
   11   1HD1  ILE   1          1HD1      ILE   1  15.474   7.046  -4.986
   12   2HD1  ILE   1          2HD1      ILE   1  16.432   8.521  -5.119
   13   3HD1  ILE   1          3HD1      ILE   1  15.741   8.055  -3.565
   14    H    PHE   2           H        PHE   2  10.454   7.529  -5.580
   15    HA   PHE   2           HA       PHE   2   8.324   6.968  -5.023
   16   1HB   PHE   2          1HB       PHE   2   9.512   4.320  -4.167
   17   2HB   PHE   2          2HB       PHE   2   7.820   4.643  -4.528
   18    HD1  PHE   2           HD1      PHE   2   7.095   5.031  -6.838
   19    HD2  PHE   2           HD2      PHE   2  11.107   3.964  -5.903
   20    HE1  PHE   2           HE1      PHE   2   7.477   4.422  -9.190
   21    HE2  PHE   2           HE2      PHE   2  11.497   3.354  -8.254
   22    HZ   PHE   2           HZ       PHE   2   9.681   3.582  -9.902
   23    H    ASP   3           H        ASP   3   6.902   6.232  -3.125
   24    HA   ASP   3           HA       ASP   3   8.235   6.948  -0.595
   25   1HB   ASP   3          1HB       ASP   3   5.445   7.706  -1.484
   26   2HB   ASP   3          2HB       ASP   3   6.136   8.053   0.098
   27    H    ILE   4           H        ILE   4   8.449   4.981   0.348
   28    HA   ILE   4           HA       ILE   4   6.307   3.048   0.301
   29    HB   ILE   4           HB       ILE   4   8.910   2.974   1.831
   30   1HG1  ILE   4          1HG1      ILE   4   8.216   1.671  -0.811
   31   2HG1  ILE   4          2HG1      ILE   4   9.182   3.134  -0.649
   32   1HG2  ILE   4          1HG2      ILE   4   7.214   1.485   2.744
   33   2HG2  ILE   4          2HG2      ILE   4   6.956   0.783   1.147
   34   3HG2  ILE   4          3HG2      ILE   4   8.503   0.567   1.965
   35   1HD1  ILE   4          1HD1      ILE   4  10.844   1.872   0.639
   36   2HD1  ILE   4          2HD1      ILE   4   9.884   0.410   0.415
   37   3HD1  ILE   4          3HD1      ILE   4  10.604   1.215  -0.980
   38    H    TYR   5           H        TYR   5   4.612   3.314   1.584
   39    HA   TYR   5           HA       TYR   5   4.922   4.643   4.167
   40   1HB   TYR   5          1HB       TYR   5   2.474   3.824   2.596
   41   2HB   TYR   5          2HB       TYR   5   2.414   4.574   4.187
   42    HD1  TYR   5           HD1      TYR   5   2.810   6.923   4.466
   43    HD2  TYR   5           HD2      TYR   5   3.260   5.109   0.643
   44    HE1  TYR   5           HE1      TYR   5   2.881   9.149   3.425
   45    HE2  TYR   5           HE2      TYR   5   3.332   7.331  -0.407
   46    HH   TYR   5           HH       TYR   5   3.737  10.191   1.361
   47    H    VAL   6           H        VAL   6   4.948   3.578   6.037
   48    HA   VAL   6           HA       VAL   6   4.690   0.691   6.011
   49    HB   VAL   6           HB       VAL   6   6.548   1.621   7.250
   50   1HG1  VAL   6          1HG1      VAL   6   4.475   3.029   8.927
   51   2HG1  VAL   6          2HG1      VAL   6   6.207   2.988   9.258
   52   3HG1  VAL   6          3HG1      VAL   6   5.605   3.790   7.808
   53   1HG2  VAL   6          1HG2      VAL   6   5.556  -0.454   8.082
   54   2HG2  VAL   6          2HG2      VAL   6   6.220   0.511   9.400
   55   3HG2  VAL   6          3HG2      VAL   6   4.479   0.476   9.124
   56    H    VAL   7           H        VAL   7   3.028  -0.462   6.778
   57    HA   VAL   7           HA       VAL   7   0.633   0.939   7.595
   58    HB   VAL   7           HB       VAL   7   1.094  -2.036   7.321
   59   1HG1  VAL   7          1HG1      VAL   7  -0.827  -1.471   8.721
   60   2HG1  VAL   7          2HG1      VAL   7  -1.462  -0.437   7.441
   61   3HG1  VAL   7          3HG1      VAL   7  -1.340  -2.179   7.190
   62   1HG2  VAL   7          1HG2      VAL   7  -0.042  -0.063   5.343
   63   2HG2  VAL   7          2HG2      VAL   7   1.505  -0.899   5.211
   64   3HG2  VAL   7          3HG2      VAL   7  -0.002  -1.814   5.137
   65    H    THR   8           H        THR   8   0.177   1.399   9.643
   66    HA   THR   8           HA       THR   8   1.059  -0.453  11.745
   67    HB   THR   8           HB       THR   8   2.659   1.395  11.733
   68    HG1  THR   8           HG1      THR   8   1.850   2.246  13.976
   69   1HG2  THR   8          1HG2      THR   8   1.240   3.116  10.726
   70   2HG2  THR   8          2HG2      THR   8   0.258   3.171  12.190
   71   3HG2  THR   8          3HG2      THR   8   1.945   3.682  12.241
   72    H    ALA   9           H        ALA   9  -1.537   0.207  10.365
   73    HA   ALA   9           HA       ALA   9  -3.086   0.735  12.811
   74   1HB   ALA   9          1HB       ALA   9  -3.762   1.769  10.059
   75   2HB   ALA   9          2HB       ALA   9  -3.134   2.734  11.396
   76   3HB   ALA   9          3HB       ALA   9  -4.728   1.987  11.519
   77    H    ASP  10           H        ASP  10  -2.291  -1.490  10.603
   78    HA   ASP  10           HA       ASP  10  -3.150  -3.480   9.926
   79   1HB   ASP  10          1HB       ASP  10  -3.697  -3.816  12.271
   80   2HB   ASP  10          2HB       ASP  10  -5.190  -2.900  12.086
   81    H    TYR  11           H        TYR  11  -3.893  -3.431   7.903
   82    HA   TYR  11           HA       TYR  11  -6.568  -2.278   7.433
   83   1HB   TYR  11          1HB       TYR  11  -4.627  -1.057   6.369
   84   2HB   TYR  11          2HB       TYR  11  -4.355  -2.492   5.386
   85    HD1  TYR  11           HD1      TYR  11  -6.713   0.255   6.092
   86    HD2  TYR  11           HD2      TYR  11  -5.732  -2.972   3.499
   87    HE1  TYR  11           HE1      TYR  11  -8.355   1.079   4.456
   88    HE2  TYR  11           HE2      TYR  11  -7.370  -2.156   1.855
   89    HH   TYR  11           HH       TYR  11  -8.787   0.919   2.042
   90    H    LEU  12           H        LEU  12  -7.699  -4.196   7.718
   91    HA   LEU  12           HA       LEU  12  -7.125  -6.317   5.755
   92   1HB   LEU  12          1HB       LEU  12  -6.797  -7.050   8.064
   93   2HB   LEU  12          2HB       LEU  12  -8.428  -6.550   8.467
   94    HG   LEU  12           HG       LEU  12  -9.297  -8.254   6.868
   95   1HD1  LEU  12          1HD1      LEU  12  -6.409  -9.114   6.749
   96   2HD1  LEU  12          2HD1      LEU  12  -7.780 -10.004   6.085
   97   3HD1  LEU  12          3HD1      LEU  12  -7.346  -8.428   5.422
   98   1HD2  LEU  12          1HD2      LEU  12  -7.517  -9.245   9.090
   99   2HD2  LEU  12          2HD2      LEU  12  -9.205  -8.753   9.230
  100   3HD2  LEU  12          3HD2      LEU  12  -8.779 -10.192   8.302
  101    HA   PRO  13           HA       PRO  13 -11.040  -4.950   3.981
  102   1HB   PRO  13          1HB       PRO  13 -10.760  -7.513   2.510
  103   2HB   PRO  13          2HB       PRO  13 -11.020  -5.881   1.887
  104   1HG   PRO  13          1HG       PRO  13  -8.644  -7.060   1.658
  105   2HG   PRO  13          2HG       PRO  13  -8.768  -5.329   2.028
  106   1HD   PRO  13          1HD       PRO  13  -8.161  -7.621   3.856
  107   2HD   PRO  13          2HD       PRO  13  -7.449  -5.994   3.813
  108    H    LEU  14           H        LEU  14 -13.193  -5.541   4.167
  109    HA   LEU  14           HA       LEU  14 -13.697  -7.864   5.892
  110   1HB   LEU  14          1HB       LEU  14 -15.424  -5.440   5.377
  111   2HB   LEU  14          2HB       LEU  14 -15.820  -6.758   6.462
  112    HG   LEU  14           HG       LEU  14 -13.611  -6.117   7.670
  113   1HD1  LEU  14          1HD1      LEU  14 -14.200  -3.584   6.146
  114   2HD1  LEU  14          2HD1      LEU  14 -13.085  -3.720   7.506
  115   3HD1  LEU  14          3HD1      LEU  14 -12.755  -4.586   6.005
  116   1HD2  LEU  14          1HD2      LEU  14 -15.846  -5.875   8.622
  117   2HD2  LEU  14          2HD2      LEU  14 -14.819  -4.507   9.051
  118   3HD2  LEU  14          3HD2      LEU  14 -16.039  -4.331   7.790
  119    H    GLY  15           H        GLY  15 -13.934  -9.523   4.454
  120   1HA   GLY  15          1HA       GLY  15 -16.360  -9.414   2.809
  121   2HA   GLY  15          2HA       GLY  15 -15.526 -10.873   3.324
  122    H    ALA  16           H        ALA  16 -16.394  -9.642   0.645
  123    HA   ALA  16           HA       ALA  16 -13.799  -9.988  -0.712
  124   1HB   ALA  16          1HB       ALA  16 -16.515 -10.809  -1.736
  125   2HB   ALA  16          2HB       ALA  16 -15.303 -11.898  -1.059
  126   3HB   ALA  16          3HB       ALA  16 -14.972 -11.035  -2.561
  127    H    GLU  17           H        GLU  17 -13.164  -8.015  -1.322
  128    HA   GLU  17           HA       GLU  17 -15.142  -6.267  -2.631
  129   1HB   GLU  17          1HB       GLU  17 -12.639  -5.486  -1.124
  130   2HB   GLU  17          2HB       GLU  17 -13.727  -4.368  -1.936
  131   1HG   GLU  17          1HG       GLU  17 -15.519  -4.965  -0.421
  132   2HG   GLU  17          2HG       GLU  17 -14.486  -6.163   0.359
  133    H    GLN  18           H        GLN  18 -14.539  -5.176  -4.515
  134    HA   GLN  18           HA       GLN  18 -12.468  -6.515  -6.049
  135   1HB   GLN  18          1HB       GLN  18 -14.450  -4.388  -6.883
  136   2HB   GLN  18          2HB       GLN  18 -13.390  -5.282  -7.965
  137   1HG   GLN  18          1HG       GLN  18 -14.516  -7.366  -7.319
  138   2HG   GLN  18          2HG       GLN  18 -15.605  -6.439  -6.288
  139   1HE2  GLN  18          1HE2      GLN  18 -17.418  -7.092  -7.430
  140   2HE2  GLN  18          2HE2      GLN  18 -17.781  -6.497  -9.010
  141    H    ASP  19           H        ASP  19 -10.748  -5.472  -7.082
  142    HA   ASP  19           HA       ASP  19  -8.975  -4.057  -7.228
  143   1HB   ASP  19          1HB       ASP  19 -11.011  -1.916  -6.574
  144   2HB   ASP  19          2HB       ASP  19  -9.438  -1.666  -7.324
  145    H    ALA  20           H        ALA  20  -9.848  -5.179  -4.582
  146    HA   ALA  20           HA       ALA  20  -8.513  -3.228  -2.824
  147   1HB   ALA  20          1HB       ALA  20 -10.823  -3.750  -2.178
  148   2HB   ALA  20          2HB       ALA  20 -10.391  -5.456  -2.046
  149   3HB   ALA  20          3HB       ALA  20  -9.663  -4.274  -0.958
  150    H    ILE  21           H        ILE  21  -6.619  -3.754  -1.929
  151    HA   ILE  21           HA       ILE  21  -5.617  -6.485  -2.334
  152    HB   ILE  21           HB       ILE  21  -4.249  -4.715  -3.330
  153   1HG1  ILE  21          1HG1      ILE  21  -2.888  -5.931  -0.914
  154   2HG1  ILE  21          2HG1      ILE  21  -3.193  -6.783  -2.423
  155   1HG2  ILE  21          1HG2      ILE  21  -3.978  -3.689  -0.506
  156   2HG2  ILE  21          2HG2      ILE  21  -3.065  -3.103  -1.896
  157   3HG2  ILE  21          3HG2      ILE  21  -4.814  -2.889  -1.838
  158   1HD1  ILE  21          1HD1      ILE  21  -1.761  -5.195  -3.603
  159   2HD1  ILE  21          2HD1      ILE  21  -1.450  -4.354  -2.084
  160   3HD1  ILE  21          3HD1      ILE  21  -0.900  -6.016  -2.301
  161    H    THR  22           H        THR  22  -4.754  -7.677  -0.657
  162    HA   THR  22           HA       THR  22  -5.671  -6.932   1.992
  163    HB   THR  22           HB       THR  22  -4.970  -9.195   2.660
  164    HG1  THR  22           HG1      THR  22  -4.216  -9.526  -0.071
  165   1HG2  THR  22          1HG2      THR  22  -7.206  -8.860   1.704
  166   2HG2  THR  22          2HG2      THR  22  -6.561  -9.162   0.091
  167   3HG2  THR  22          3HG2      THR  22  -6.564 -10.450   1.295
  168    H    LEU  23           H        LEU  23  -4.437  -5.851   3.367
  169    HA   LEU  23           HA       LEU  23  -1.511  -6.154   3.181
  170   1HB   LEU  23          1HB       LEU  23  -3.180  -3.745   3.869
  171   2HB   LEU  23          2HB       LEU  23  -1.472  -3.840   4.252
  172    HG   LEU  23           HG       LEU  23  -2.621  -4.027   1.465
  173   1HD1  LEU  23          1HD1      LEU  23  -1.243  -1.741   2.864
  174   2HD1  LEU  23          2HD1      LEU  23  -1.681  -1.785   1.157
  175   3HD1  LEU  23          3HD1      LEU  23  -2.940  -1.805   2.392
  176   1HD2  LEU  23          1HD2      LEU  23  -0.512  -5.229   1.728
  177   2HD2  LEU  23          2HD2      LEU  23  -0.297  -3.775   0.752
  178   3HD2  LEU  23          3HD2      LEU  23   0.226  -3.792   2.437
  179    H    ARG  24           H        ARG  24  -0.335  -5.869   5.210
  180    HA   ARG  24           HA       ARG  24  -1.936  -6.620   7.567
  181   1HB   ARG  24          1HB       ARG  24   0.846  -7.638   6.980
  182   2HB   ARG  24          2HB       ARG  24  -0.234  -8.161   8.265
  183   1HG   ARG  24          1HG       ARG  24  -0.704  -8.570   5.318
  184   2HG   ARG  24          2HG       ARG  24  -0.097  -9.788   6.442
  185   1HD   ARG  24          1HD       ARG  24  -2.778  -8.413   6.608
  186   2HD   ARG  24          2HD       ARG  24  -2.498 -10.048   6.013
  187    HE   ARG  24           HE       ARG  24  -1.446 -10.137   8.490
  188   1HH1  ARG  24          1HH1      ARG  24  -4.516  -9.031   7.268
  189   2HH1  ARG  24          2HH1      ARG  24  -5.381  -9.426   8.715
  190   1HH2  ARG  24          1HH2      ARG  24  -2.579 -10.664  10.400
  191   2HH2  ARG  24          2HH2      ARG  24  -4.280 -10.353  10.495
  192    H    GLU  25           H        GLU  25  -1.292  -5.781   9.543
  193    HA   GLU  25           HA       GLU  25  -0.059  -3.256   9.511
  194   1HB   GLU  25          1HB       GLU  25  -1.663  -3.805  11.223
  195   2HB   GLU  25          2HB       GLU  25  -0.669  -5.136  11.795
  196   1HG   GLU  25          1HG       GLU  25   1.049  -3.535  12.500
  197   2HG   GLU  25          2HG       GLU  25   0.024  -2.210  11.951
  198    H    GLY  26           H        GLY  26   2.000  -3.178   8.764
  199   1HA   GLY  26          1HA       GLY  26   3.998  -4.864  10.136
  200   2HA   GLY  26          2HA       GLY  26   4.250  -3.139   9.918
  201    H    GLN  27           H        GLN  27   2.774  -3.661   7.203
  202    HA   GLN  27           HA       GLN  27   4.990  -4.893   5.756
  203   1HB   GLN  27          1HB       GLN  27   2.138  -4.840   5.469
  204   2HB   GLN  27          2HB       GLN  27   2.881  -4.197   4.016
  205   1HG   GLN  27          1HG       GLN  27   4.289  -6.234   3.900
  206   2HG   GLN  27          2HG       GLN  27   3.391  -6.871   5.278
  207   1HE2  GLN  27          1HE2      GLN  27   3.638  -7.847   2.507
  208   2HE2  GLN  27          2HE2      GLN  27   2.020  -7.979   1.918
  209    H    TYR  28           H        TYR  28   5.892  -3.885   3.911
  210    HA   TYR  28           HA       TYR  28   5.672  -0.947   3.933
  211   1HB   TYR  28          1HB       TYR  28   8.013  -2.537   2.882
  212   2HB   TYR  28          2HB       TYR  28   7.955  -0.819   3.260
  213    HD1  TYR  28           HD1      TYR  28   8.222  -4.198   4.650
  214    HD2  TYR  28           HD2      TYR  28   8.150  -0.042   5.551
  215    HE1  TYR  28           HE1      TYR  28   9.070  -4.679   6.906
  216    HE2  TYR  28           HE2      TYR  28   9.001  -0.511   7.810
  217    HH   TYR  28           HH       TYR  28  10.278  -3.528   8.705
  218    H    VAL  29           H        VAL  29   5.207   0.112   2.059
  219    HA   VAL  29           HA       VAL  29   5.435  -1.184  -0.504
  220    HB   VAL  29           HB       VAL  29   3.358  -2.184   0.133
  221   1HG1  VAL  29          1HG1      VAL  29   2.393   0.598   0.788
  222   2HG1  VAL  29          2HG1      VAL  29   1.403  -0.862   0.806
  223   3HG1  VAL  29          3HG1      VAL  29   2.739  -0.688   1.944
  224   1HG2  VAL  29          1HG2      VAL  29   3.553  -1.329  -2.180
  225   2HG2  VAL  29          2HG2      VAL  29   1.887  -1.390  -1.608
  226   3HG2  VAL  29          3HG2      VAL  29   2.739   0.151  -1.674
  227    H    GLU  30           H        GLU  30   6.017   0.323  -1.914
  228    HA   GLU  30           HA       GLU  30   5.807   3.110  -1.326
  229   1HB   GLU  30          1HB       GLU  30   6.855   3.374  -3.595
  230   2HB   GLU  30          2HB       GLU  30   7.771   2.392  -2.465
  231   1HG   GLU  30          1HG       GLU  30   7.904   1.247  -4.487
  232   2HG   GLU  30          2HG       GLU  30   6.673   0.381  -3.569
  233    H    VAL  31           H        VAL  31   4.766   4.710  -2.617
  234    HA   VAL  31           HA       VAL  31   2.215   3.774  -3.690
  235    HB   VAL  31           HB       VAL  31   2.177   5.560  -1.992
  236   1HG1  VAL  31          1HG1      VAL  31   4.313   6.622  -2.614
  237   2HG1  VAL  31          2HG1      VAL  31   3.550   7.256  -4.072
  238   3HG1  VAL  31          3HG1      VAL  31   2.991   7.782  -2.484
  239   1HG2  VAL  31          1HG2      VAL  31   1.245   6.429  -4.726
  240   2HG2  VAL  31          2HG2      VAL  31   0.355   5.414  -3.592
  241   3HG2  VAL  31          3HG2      VAL  31   0.686   7.100  -3.194
  242    H    LEU  32           H        LEU  32   1.520   4.166  -5.748
  243    HA   LEU  32           HA       LEU  32   3.570   5.025  -7.664
  244   1HB   LEU  32          1HB       LEU  32   1.070   3.370  -7.992
  245   2HB   LEU  32          2HB       LEU  32   2.036   3.928  -9.344
  246    HG   LEU  32           HG       LEU  32   3.089   2.157  -7.138
  247   1HD1  LEU  32          1HD1      LEU  32   2.132   1.433  -9.905
  248   2HD1  LEU  32          2HD1      LEU  32   2.945   0.344  -8.781
  249   3HD1  LEU  32          3HD1      LEU  32   1.355   0.995  -8.383
  250   1HD2  LEU  32          1HD2      LEU  32   4.794   3.491  -8.269
  251   2HD2  LEU  32          2HD2      LEU  32   4.945   1.783  -8.682
  252   3HD2  LEU  32          3HD2      LEU  32   4.222   2.908  -9.831
  253    H    ASP  33           H        ASP  33   0.005   5.116  -7.599
  254    HA   ASP  33           HA       ASP  33   0.102   7.750  -8.871
  255   1HB   ASP  33          1HB       ASP  33  -1.311   6.047  -9.933
  256   2HB   ASP  33          2HB       ASP  33  -2.225   5.861  -8.439
  257    H    ALA  34           H        ALA  34  -0.939   9.554  -8.019
  258    HA   ALA  34           HA       ALA  34  -1.784   9.314  -5.205
  259   1HB   ALA  34          1HB       ALA  34   0.414  10.369  -5.356
  260   2HB   ALA  34          2HB       ALA  34  -0.243  11.594  -6.441
  261   3HB   ALA  34          3HB       ALA  34  -0.801  11.504  -4.770
  262    H    ALA  35           H        ALA  35  -3.010   9.726  -8.118
  263    HA   ALA  35           HA       ALA  35  -4.437  12.146  -8.039
  264   1HB   ALA  35          1HB       ALA  35  -5.208   9.567  -9.401
  265   2HB   ALA  35          2HB       ALA  35  -4.167  10.820 -10.079
  266   3HB   ALA  35          3HB       ALA  35  -5.866  11.166  -9.751
  267    H    HIS  36           H        HIS  36  -6.372  12.727  -7.186
  268    HA   HIS  36           HA       HIS  36  -8.175  12.726  -5.808
  269   1HB   HIS  36          1HB       HIS  36  -8.243   9.805  -6.580
  270   2HB   HIS  36          2HB       HIS  36  -9.519  10.621  -5.682
  271    HD1  HIS  36           HD1      HIS  36 -11.279  11.752  -7.036
  272    HD2  HIS  36           HD2      HIS  36  -7.873  10.918  -9.265
  273    HE1  HIS  36           HE1      HIS  36 -11.863  12.353  -9.408
  274    HE2  HIS  36           HE2      HIS  36  -9.798  11.808 -10.745
  275    HA   PRO  37           HA       PRO  37  -5.694  11.806  -2.083
  276   1HB   PRO  37          1HB       PRO  37  -8.020  13.343  -1.005
  277   2HB   PRO  37          2HB       PRO  37  -6.307  13.529  -0.655
  278   1HG   PRO  37          1HG       PRO  37  -7.472  15.235  -2.203
  279   2HG   PRO  37          2HG       PRO  37  -5.870  14.631  -2.639
  280   1HD   PRO  37          1HD       PRO  37  -8.542  13.903  -3.779
  281   2HD   PRO  37          2HD       PRO  37  -6.983  14.114  -4.606
  282    H    LEU  38           H        LEU  38  -9.051  11.190  -2.772
  283    HA   LEU  38           HA       LEU  38  -9.943   9.912  -0.508
  284   1HB   LEU  38          1HB       LEU  38 -10.475   9.357  -3.414
  285   2HB   LEU  38          2HB       LEU  38 -11.265   8.439  -2.148
  286    HG   LEU  38           HG       LEU  38 -12.747  10.173  -2.917
  287   1HD1  LEU  38          1HD1      LEU  38 -12.832   9.639  -0.546
  288   2HD1  LEU  38          2HD1      LEU  38 -11.612  10.869  -0.214
  289   3HD1  LEU  38          3HD1      LEU  38 -13.198  11.343  -0.823
  290   1HD2  LEU  38          1HD2      LEU  38 -11.084  11.711  -3.823
  291   2HD2  LEU  38          2HD2      LEU  38 -12.193  12.541  -2.732
  292   3HD2  LEU  38          3HD2      LEU  38 -10.568  12.126  -2.188
  293    H    ARG  39           H        ARG  39  -8.360   8.309  -3.276
  294    HA   ARG  39           HA       ARG  39  -7.080   6.447  -1.443
  295   1HB   ARG  39          1HB       ARG  39  -7.833   4.470  -2.671
  296   2HB   ARG  39          2HB       ARG  39  -9.199   5.344  -1.995
  297   1HG   ARG  39          1HG       ARG  39  -9.641   6.341  -4.188
  298   2HG   ARG  39          2HG       ARG  39  -8.281   5.443  -4.861
  299   1HD   ARG  39          1HD       ARG  39 -10.351   4.294  -5.360
  300   2HD   ARG  39          2HD       ARG  39  -9.390   3.337  -4.233
  301    HE   ARG  39           HE       ARG  39 -11.329   5.052  -2.970
  302   1HH1  ARG  39          1HH1      ARG  39 -10.740   1.918  -4.383
  303   2HH1  ARG  39          2HH1      ARG  39 -12.036   1.149  -3.529
  304   1HH2  ARG  39          1HH2      ARG  39 -13.036   4.045  -1.846
  305   2HH2  ARG  39          2HH2      ARG  39 -13.341   2.358  -2.088
  306    H    TRP  40           H        TRP  40  -5.138   5.687  -2.176
  307    HA   TRP  40           HA       TRP  40  -4.301   6.635  -4.838
  308   1HB   TRP  40          1HB       TRP  40  -2.639   6.277  -2.335
  309   2HB   TRP  40          2HB       TRP  40  -1.999   6.730  -3.910
  310    HD1  TRP  40           HD1      TRP  40  -4.790   8.727  -4.212
  311    HE1  TRP  40           HE1      TRP  40  -4.552  11.064  -3.159
  312    HE3  TRP  40           HE3      TRP  40  -0.815   7.827  -1.126
  313    HZ2  TRP  40           HZ2      TRP  40  -2.898  12.354  -1.272
  314    HZ3  TRP  40           HZ3      TRP  40   0.035   9.666   0.269
  315    HH2  TRP  40           HH2      TRP  40  -0.986  11.882   0.196
  316    H    LEU  41           H        LEU  41  -2.905   5.323  -6.064
  317    HA   LEU  41           HA       LEU  41  -3.316   2.487  -5.652
  318   1HB   LEU  41          1HB       LEU  41  -3.602   3.308  -7.885
  319   2HB   LEU  41          2HB       LEU  41  -2.031   4.086  -7.861
  320    HG   LEU  41           HG       LEU  41  -0.956   1.852  -7.784
  321   1HD1  LEU  41          1HD1      LEU  41  -2.773   0.608  -6.741
  322   2HD1  LEU  41          2HD1      LEU  41  -3.767   0.838  -8.178
  323   3HD1  LEU  41          3HD1      LEU  41  -2.297  -0.132  -8.270
  324   1HD2  LEU  41          1HD2      LEU  41  -1.268   3.010  -9.910
  325   2HD2  LEU  41          2HD2      LEU  41  -1.412   1.263 -10.109
  326   3HD2  LEU  41          3HD2      LEU  41  -2.860   2.271 -10.085
  327    H    VAL  42           H        VAL  42  -1.769   0.994  -5.125
  328    HA   VAL  42           HA       VAL  42   1.001   1.908  -4.832
  329    HB   VAL  42           HB       VAL  42   1.215   0.898  -2.622
  330   1HG1  VAL  42          1HG1      VAL  42   0.687   3.269  -2.750
  331   2HG1  VAL  42          2HG1      VAL  42  -1.037   2.898  -2.769
  332   3HG1  VAL  42          3HG1      VAL  42  -0.074   2.539  -1.335
  333   1HG2  VAL  42          1HG2      VAL  42  -0.508  -0.812  -2.809
  334   2HG2  VAL  42          2HG2      VAL  42  -0.764   0.173  -1.370
  335   3HG2  VAL  42          3HG2      VAL  42  -1.760   0.430  -2.802
  336    H    ARG  43           H        ARG  43   2.559   0.206  -4.702
  337    HA   ARG  43           HA       ARG  43   1.588  -2.447  -5.517
  338   1HB   ARG  43          1HB       ARG  43   2.344  -1.300  -7.540
  339   2HB   ARG  43          2HB       ARG  43   3.884  -0.929  -6.776
  340   1HG   ARG  43          1HG       ARG  43   4.246  -3.415  -6.566
  341   2HG   ARG  43          2HG       ARG  43   2.837  -3.620  -7.607
  342   1HD   ARG  43          1HD       ARG  43   5.323  -2.065  -8.315
  343   2HD   ARG  43          2HD       ARG  43   4.955  -3.701  -8.860
  344    HE   ARG  43           HE       ARG  43   2.856  -1.918  -9.532
  345   1HH1  ARG  43          1HH1      ARG  43   6.086  -2.847 -10.453
  346   2HH1  ARG  43          2HH1      ARG  43   5.891  -2.367 -12.106
  347   1HH2  ARG  43          1HH2      ARG  43   2.590  -1.285 -11.707
  348   2HH2  ARG  43          2HH2      ARG  43   3.904  -1.479 -12.819
  349    H    THR  44           H        THR  44   2.177  -3.786  -3.935
  350    HA   THR  44           HA       THR  44   4.256  -3.228  -2.095
  351    HB   THR  44           HB       THR  44   3.807  -5.340  -1.104
  352    HG1  THR  44           HG1      THR  44   3.181  -6.044  -3.680
  353   1HG2  THR  44          1HG2      THR  44   2.005  -3.660  -0.896
  354   2HG2  THR  44          2HG2      THR  44   1.214  -4.363  -2.306
  355   3HG2  THR  44          3HG2      THR  44   1.395  -5.313  -0.831
  356    H    LYS  45           H        LYS  45   6.290  -4.092  -1.870
  357    HA   LYS  45           HA       LYS  45   7.723  -4.662  -4.221
  358   1HB   LYS  45          1HB       LYS  45   8.535  -5.185  -1.357
  359   2HB   LYS  45          2HB       LYS  45   9.621  -5.099  -2.738
  360   1HG   LYS  45          1HG       LYS  45   9.039  -2.754  -3.061
  361   2HG   LYS  45          2HG       LYS  45   7.931  -2.837  -1.691
  362   1HD   LYS  45          1HD       LYS  45   9.968  -1.845  -0.929
  363   2HD   LYS  45          2HD       LYS  45   9.876  -3.474  -0.258
  364   1HE   LYS  45          1HE       LYS  45  12.123  -2.978  -1.080
  365   2HE   LYS  45          2HE       LYS  45  11.379  -4.287  -1.998
  366   1HZ   LYS  45          1HZ       LYS  45  11.534  -1.450  -2.864
  367   2HZ   LYS  45          2HZ       LYS  45  12.507  -2.708  -3.440
  368   3HZ   LYS  45          3HZ       LYS  45  10.842  -2.717  -3.747
  369    HA   PRO  46           HA       PRO  46   6.622  -9.013  -4.449
  370   1HB   PRO  46          1HB       PRO  46   8.070  -9.601  -6.669
  371   2HB   PRO  46          2HB       PRO  46   6.515  -8.765  -6.728
  372   1HG   PRO  46          1HG       PRO  46   9.281  -7.640  -6.892
  373   2HG   PRO  46          2HG       PRO  46   7.838  -7.207  -7.828
  374   1HD   PRO  46          1HD       PRO  46   8.729  -5.739  -5.722
  375   2HD   PRO  46          2HD       PRO  46   7.013  -5.849  -6.165
  376    H    THR  47           H        THR  47   7.584 -10.950  -3.924
  377    HA   THR  47           HA       THR  47  10.418 -10.795  -3.136
  378    HB   THR  47           HB       THR  47   9.956 -12.490  -1.448
  379    HG1  THR  47           HG1      THR  47   8.070 -13.318  -2.795
  380   1HG2  THR  47          1HG2      THR  47   9.649 -10.143  -0.824
  381   2HG2  THR  47          2HG2      THR  47   7.962 -10.225  -1.333
  382   3HG2  THR  47          3HG2      THR  47   8.517 -11.183   0.041
  383    H    LYS  48           H        LYS  48  10.778 -13.531  -2.648
  384    HA   LYS  48           HA       LYS  48  11.320 -14.446  -5.304
  385   1HB   LYS  48          1HB       LYS  48  12.809 -14.858  -3.347
  386   2HB   LYS  48          2HB       LYS  48  11.596 -15.949  -2.696
  387   1HG   LYS  48          1HG       LYS  48  11.830 -17.368  -4.690
  388   2HG   LYS  48          2HG       LYS  48  13.088 -16.288  -5.290
  389   1HD   LYS  48          1HD       LYS  48  13.287 -17.599  -2.594
  390   2HD   LYS  48          2HD       LYS  48  13.816 -18.421  -4.063
  391   1HE   LYS  48          1HE       LYS  48  15.728 -17.378  -3.109
  392   2HE   LYS  48          2HE       LYS  48  15.280 -16.443  -4.534
  393   1HZ   LYS  48          1HZ       LYS  48  14.498 -15.713  -1.766
  394   2HZ   LYS  48          2HZ       LYS  48  15.854 -15.085  -2.560
  395   3HZ   LYS  48          3HZ       LYS  48  14.303 -14.778  -3.162
  396    H    SER  49           H        SER  49   8.595 -14.627  -3.338
  397    HA   SER  49           HA       SER  49   7.484 -16.736  -5.038
  398   1HB   SER  49          1HB       SER  49   8.203 -17.829  -2.948
  399   2HB   SER  49          2HB       SER  49   7.203 -16.707  -2.025
  400    HG   SER  49           HG       SER  49   5.762 -17.881  -3.979
  401    H    SER  50           H        SER  50   7.244 -13.669  -4.135
  402    HA   SER  50           HA       SER  50   4.297 -13.683  -4.223
  403   1HB   SER  50          1HB       SER  50   5.062 -12.884  -2.049
  404   2HB   SER  50          2HB       SER  50   6.108 -11.698  -2.828
  405    HG   SER  50           HG       SER  50   4.104 -10.857  -3.782
  406    HA   PRO  51           HA       PRO  51   5.190 -11.623  -8.127
  407   1HB   PRO  51          1HB       PRO  51   2.612 -11.526  -8.965
  408   2HB   PRO  51          2HB       PRO  51   3.592 -12.996  -9.052
  409   1HG   PRO  51          1HG       PRO  51   1.593 -12.190  -6.967
  410   2HG   PRO  51          2HG       PRO  51   1.765 -13.747  -7.800
  411   1HD   PRO  51          1HD       PRO  51   2.735 -13.357  -5.332
  412   2HD   PRO  51          2HD       PRO  51   3.594 -14.365  -6.516
  413    H    SER  52           H        SER  52   4.685  -9.564  -9.056
  414    HA   SER  52           HA       SER  52   4.318  -7.504  -7.146
  415   1HB   SER  52          1HB       SER  52   4.399  -5.982  -9.103
  416   2HB   SER  52          2HB       SER  52   5.712  -7.159  -9.117
  417    HG   SER  52           HG       SER  52   3.472  -6.959 -10.774
  418    H    ARG  53           H        ARG  53   2.437  -7.013  -6.233
  419    HA   ARG  53           HA       ARG  53  -0.007  -7.191  -7.866
  420   1HB   ARG  53          1HB       ARG  53   0.198  -8.632  -5.776
  421   2HB   ARG  53          2HB       ARG  53   0.112  -7.139  -4.853
  422   1HG   ARG  53          1HG       ARG  53  -2.061  -8.125  -4.916
  423   2HG   ARG  53          2HG       ARG  53  -2.082  -6.670  -5.912
  424   1HD   ARG  53          1HD       ARG  53  -1.805  -8.053  -7.920
  425   2HD   ARG  53          2HD       ARG  53  -1.808  -9.502  -6.915
  426    HE   ARG  53           HE       ARG  53  -4.146  -8.016  -6.421
  427   1HH1  ARG  53          1HH1      ARG  53  -2.669  -9.979  -8.895
  428   2HH1  ARG  53          2HH1      ARG  53  -4.179 -10.496  -9.566
  429   1HH2  ARG  53          1HH2      ARG  53  -6.138  -8.693  -7.300
  430   2HH2  ARG  53          2HH2      ARG  53  -6.150  -9.766  -8.659
  431    H    GLN  54           H        GLN  54  -1.630  -5.550  -7.570
  432    HA   GLN  54           HA       GLN  54  -0.667  -3.036  -6.401
  433   1HB   GLN  54          1HB       GLN  54  -1.899  -3.291  -9.152
  434   2HB   GLN  54          2HB       GLN  54  -1.476  -1.783  -8.352
  435   1HG   GLN  54          1HG       GLN  54   0.835  -2.249  -8.486
  436   2HG   GLN  54          2HG       GLN  54   0.544  -3.923  -8.948
  437   1HE2  GLN  54          1HE2      GLN  54  -1.194  -1.166 -10.262
  438   2HE2  GLN  54          2HE2      GLN  54  -0.559  -1.295 -11.861
  439    H    GLY  55           H        GLY  55  -2.160  -2.002  -5.223
  440   1HA   GLY  55          1HA       GLY  55  -4.409  -2.986  -4.205
  441   2HA   GLY  55          2HA       GLY  55  -4.996  -2.414  -5.758
  442    H    TRP  56           H        TRP  56  -6.396  -1.066  -4.404
  443    HA   TRP  56           HA       TRP  56  -5.143   1.520  -3.937
  444   1HB   TRP  56          1HB       TRP  56  -8.066   0.743  -3.867
  445   2HB   TRP  56          2HB       TRP  56  -7.429   2.383  -3.814
  446    HD1  TRP  56           HD1      TRP  56  -8.101  -0.493  -6.223
  447    HE1  TRP  56           HE1      TRP  56  -7.855   0.370  -8.635
  448    HE3  TRP  56           HE3      TRP  56  -6.202   4.149  -5.235
  449    HZ2  TRP  56           HZ2      TRP  56  -6.974   2.709  -9.945
  450    HZ3  TRP  56           HZ3      TRP  56  -5.685   5.639  -7.125
  451    HH2  TRP  56           HH2      TRP  56  -6.063   4.932  -9.430
  452    H    VAL  57           H        VAL  57  -5.065   2.567  -1.987
  453    HA   VAL  57           HA       VAL  57  -6.207   1.220   0.354
  454    HB   VAL  57           HB       VAL  57  -4.142   1.524   1.636
  455   1HG1  VAL  57          1HG1      VAL  57  -3.825  -0.068  -0.902
  456   2HG1  VAL  57          2HG1      VAL  57  -2.778  -0.217   0.509
  457   3HG1  VAL  57          3HG1      VAL  57  -4.489  -0.629   0.634
  458   1HG2  VAL  57          1HG2      VAL  57  -2.945   2.402  -0.991
  459   2HG2  VAL  57          2HG2      VAL  57  -3.197   3.412   0.433
  460   3HG2  VAL  57          3HG2      VAL  57  -2.041   2.081   0.489
  461    H    SER  58           H        SER  58  -5.915   2.642   2.358
  462    HA   SER  58           HA       SER  58  -6.646   5.380   1.614
  463   1HB   SER  58          1HB       SER  58  -7.028   3.893   4.225
  464   2HB   SER  58          2HB       SER  58  -7.592   5.530   3.891
  465    HG   SER  58           HG       SER  58  -8.845   4.597   2.160
  466    HA   PRO  59           HA       PRO  59  -2.496   6.460   3.025
  467   1HB   PRO  59          1HB       PRO  59  -2.689   9.121   2.496
  468   2HB   PRO  59          2HB       PRO  59  -2.358   7.910   1.252
  469   1HG   PRO  59          1HG       PRO  59  -4.951   9.225   1.973
  470   2HG   PRO  59          2HG       PRO  59  -4.268   8.904   0.366
  471   1HD   PRO  59          1HD       PRO  59  -6.175   7.337   1.449
  472   2HD   PRO  59          2HD       PRO  59  -4.899   6.682   0.403
  473    H    ALA  60           H        ALA  60  -5.496   7.250   4.325
  474    HA   ALA  60           HA       ALA  60  -4.725   9.187   6.258
  475   1HB   ALA  60          1HB       ALA  60  -7.052   8.890   5.562
  476   2HB   ALA  60          2HB       ALA  60  -7.065   7.283   6.289
  477   3HB   ALA  60          3HB       ALA  60  -6.876   8.710   7.308
  478    H    TYR  61           H        TYR  61  -4.243   5.821   6.012
  479    HA   TYR  61           HA       TYR  61  -3.512   5.681   8.866
  480   1HB   TYR  61          1HB       TYR  61  -4.351   3.383   7.086
  481   2HB   TYR  61          2HB       TYR  61  -3.995   3.299   8.809
  482    HD1  TYR  61           HD1      TYR  61  -5.501   4.641  10.391
  483    HD2  TYR  61           HD2      TYR  61  -6.524   3.820   6.345
  484    HE1  TYR  61           HE1      TYR  61  -7.863   5.092  10.904
  485    HE2  TYR  61           HE2      TYR  61  -8.889   4.270   6.845
  486    HH   TYR  61           HH       TYR  61 -10.385   4.252   8.833
  487    H    LEU  62           H        LEU  62  -2.082   6.292   6.155
  488    HA   LEU  62           HA       LEU  62   0.081   4.323   6.395
  489   1HB   LEU  62          1HB       LEU  62  -0.964   6.008   4.199
  490   2HB   LEU  62          2HB       LEU  62   0.772   5.770   4.232
  491    HG   LEU  62           HG       LEU  62   0.492   3.363   4.096
  492   1HD1  LEU  62          1HD1      LEU  62  -2.468   3.953   4.116
  493   2HD1  LEU  62          2HD1      LEU  62  -1.742   2.376   3.760
  494   3HD1  LEU  62          3HD1      LEU  62  -1.550   3.099   5.368
  495   1HD2  LEU  62          1HD2      LEU  62   0.566   4.642   2.016
  496   2HD2  LEU  62          2HD2      LEU  62  -0.456   3.213   1.854
  497   3HD2  LEU  62          3HD2      LEU  62  -1.190   4.805   2.050
  498    H    ASP  63           H        ASP  63   2.093   4.871   7.018
  499    HA   ASP  63           HA       ASP  63   2.535   7.674   7.795
  500   1HB   ASP  63          1HB       ASP  63   2.581   6.068   9.659
  501   2HB   ASP  63          2HB       ASP  63   3.855   5.162   8.848
  502    H    ARG  64           H        ARG  64   3.874   8.787   6.551
  503    HA   ARG  64           HA       ARG  64   5.380   7.661   4.466
  504   1HB   ARG  64          1HB       ARG  64   6.423   9.926   4.288
  505   2HB   ARG  64          2HB       ARG  64   4.666   9.936   4.279
  506   1HG   ARG  64          1HG       ARG  64   6.038  10.309   6.884
  507   2HG   ARG  64          2HG       ARG  64   6.078  11.639   5.725
  508   1HD   ARG  64          1HD       ARG  64   3.623  11.553   5.576
  509   2HD   ARG  64          2HD       ARG  64   3.607  10.263   6.777
  510    HE   ARG  64           HE       ARG  64   4.986  12.497   7.801
  511   1HH1  ARG  64          1HH1      ARG  64   1.764  11.444   6.990
  512   2HH1  ARG  64          2HH1      ARG  64   0.998  12.457   8.168
  513   1HH2  ARG  64          1HH2      ARG  64   3.986  13.834   9.352
  514   2HH2  ARG  64          2HH2      ARG  64   2.261  13.817   9.507
  515    H    ARG  65           H        ARG  65   7.222   6.591   4.514
  516    HA   ARG  65           HA       ARG  65   9.302   7.361   6.412
  517   1HB   ARG  65          1HB       ARG  65   8.115   5.555   7.541
  518   2HB   ARG  65          2HB       ARG  65   8.271   4.533   6.119
  519   1HG   ARG  65          1HG       ARG  65  10.684   4.486   6.388
  520   2HG   ARG  65          2HG       ARG  65  10.563   5.569   7.778
  521   1HD   ARG  65          1HD       ARG  65   9.271   3.895   8.985
  522   2HD   ARG  65          2HD       ARG  65   9.335   2.819   7.589
  523    HE   ARG  65           HE       ARG  65  11.838   2.888   7.954
  524   1HH1  ARG  65          1HH1      ARG  65   9.551   3.323  10.547
  525   2HH1  ARG  65          2HH1      ARG  65  10.620   2.715  11.764
  526   1HH2  ARG  65          1HH2      ARG  65  13.253   2.086   9.551
  527   2HH2  ARG  65          2HH2      ARG  65  12.724   2.010  11.199
  528    H    LEU  66           H        LEU  66  11.365   7.081   5.656
  529    HA   LEU  66           HA       LEU  66  11.611   5.968   2.936
  530   1HB   LEU  66          1HB       LEU  66  11.883   8.437   3.080
  531   2HB   LEU  66          2HB       LEU  66  13.240   8.194   4.162
  532    HG   LEU  66           HG       LEU  66  14.381   6.925   2.315
  533   1HD1  LEU  66          1HD1      LEU  66  12.398   6.363   1.012
  534   2HD1  LEU  66          2HD1      LEU  66  12.132   8.072   0.666
  535   3HD1  LEU  66          3HD1      LEU  66  13.566   7.258   0.039
  536   1HD2  LEU  66          1HD2      LEU  66  13.656   9.804   1.782
  537   2HD2  LEU  66          2HD2      LEU  66  14.957   9.232   2.826
  538   3HD2  LEU  66          3HD2      LEU  66  15.030   8.943   1.088
  539    H    LYS  67           H        LYS  67  12.679   4.110   2.952
  540    HA   LYS  67           HA       LYS  67  14.582   3.532   5.081
  541   1HB   LYS  67          1HB       LYS  67  14.555   1.243   4.221
  542   2HB   LYS  67          2HB       LYS  67  12.921   1.823   4.513
  543   1HG   LYS  67          1HG       LYS  67  12.669   2.280   2.114
  544   2HG   LYS  67          2HG       LYS  67  14.293   1.651   1.837
  545   1HD   LYS  67          1HD       LYS  67  12.167   0.009   3.183
  546   2HD   LYS  67          2HD       LYS  67  12.313   0.076   1.427
  547   1HE   LYS  67          1HE       LYS  67  13.517  -1.838   2.127
  548   2HE   LYS  67          2HE       LYS  67  14.718  -0.617   1.714
  549   1HZ   LYS  67          1HZ       LYS  67  13.786  -1.119   4.484
  550   2HZ   LYS  67          2HZ       LYS  67  15.156  -1.851   3.814
  551   3HZ   LYS  67          3HZ       LYS  67  15.099  -0.171   3.998
  552    H    LEU  68           H        LEU  68  14.521   4.429   1.758
  553    HA   LEU  68           HA       LEU  68  17.257   3.584   1.265
  554   1HB   LEU  68          1HB       LEU  68  15.303   5.102  -0.466
  555   2HB   LEU  68          2HB       LEU  68  16.895   4.579  -0.978
  556    HG   LEU  68           HG       LEU  68  14.709   2.690  -0.106
  557   1HD1  LEU  68          1HD1      LEU  68  15.564   3.481  -2.888
  558   2HD1  LEU  68          2HD1      LEU  68  14.415   2.205  -2.484
  559   3HD1  LEU  68          3HD1      LEU  68  14.030   3.886  -2.116
  560   1HD2  LEU  68          1HD2      LEU  68  16.972   1.808   0.142
  561   2HD2  LEU  68          2HD2      LEU  68  16.114   0.996  -1.166
  562   3HD2  LEU  68          3HD2      LEU  68  17.324   2.223  -1.535

  No H/Q in entry =         562
  Start of MODEL   10
    1    H1   ILE   1           H1       ILE   1  11.522  10.263  -6.058
    2    H2   ILE   1           H2       ILE   1  12.640   9.760  -7.224
    3    H3   ILE   1           H3       ILE   1  10.981   9.623  -7.528
    4    HA   ILE   1           HA       ILE   1  11.869   7.476  -6.999
    5    HB   ILE   1           HB       ILE   1  12.687   8.707  -4.363
    6   1HG1  ILE   1          1HG1      ILE   1  14.421   7.648  -6.607
    7   2HG1  ILE   1          2HG1      ILE   1  14.143   9.355  -6.280
    8   1HG2  ILE   1          1HG2      ILE   1  13.015   5.909  -5.440
    9   2HG2  ILE   1          2HG2      ILE   1  13.699   6.507  -3.928
   10   3HG2  ILE   1          3HG2      ILE   1  11.949   6.407  -4.128
   11   1HD1  ILE   1          1HD1      ILE   1  15.474   7.396  -4.423
   12   2HD1  ILE   1          2HD1      ILE   1  16.281   8.623  -5.400
   13   3HD1  ILE   1          3HD1      ILE   1  15.199   9.107  -4.095
   14    H    PHE   2           H        PHE   2  10.464   5.994  -6.151
   15    HA   PHE   2           HA       PHE   2   7.896   6.849  -5.424
   16   1HB   PHE   2          1HB       PHE   2   9.054   4.120  -4.849
   17   2HB   PHE   2          2HB       PHE   2   7.366   4.536  -5.124
   18    HD1  PHE   2           HD1      PHE   2  10.457   3.534  -6.622
   19    HD2  PHE   2           HD2      PHE   2   6.681   5.326  -7.423
   20    HE1  PHE   2           HE1      PHE   2  10.732   3.035  -9.014
   21    HE2  PHE   2           HE2      PHE   2   6.950   4.830  -9.819
   22    HZ   PHE   2           HZ       PHE   2   8.978   3.682 -10.617
   23    H    ASP   3           H        ASP   3   6.733   6.305  -3.403
   24    HA   ASP   3           HA       ASP   3   8.480   6.587  -1.043
   25   1HB   ASP   3          1HB       ASP   3   7.230   8.670  -1.589
   26   2HB   ASP   3          2HB       ASP   3   5.722   7.780  -1.398
   27    H    ILE   4           H        ILE   4   8.437   4.747   0.063
   28    HA   ILE   4           HA       ILE   4   6.166   2.972  -0.016
   29    HB   ILE   4           HB       ILE   4   8.676   2.710   1.638
   30   1HG1  ILE   4          1HG1      ILE   4   8.140   1.548  -1.103
   31   2HG1  ILE   4          2HG1      ILE   4   9.118   2.984  -0.820
   32   1HG2  ILE   4          1HG2      ILE   4   6.821   1.276   2.323
   33   2HG2  ILE   4          2HG2      ILE   4   6.693   0.653   0.679
   34   3HG2  ILE   4          3HG2      ILE   4   8.141   0.333   1.632
   35   1HD1  ILE   4          1HD1      ILE   4   9.697   0.225   0.230
   36   2HD1  ILE   4          2HD1      ILE   4  10.501   1.014  -1.128
   37   3HD1  ILE   4          3HD1      ILE   4  10.681   1.663   0.502
   38    H    TYR   5           H        TYR   5   4.707   2.611   1.552
   39    HA   TYR   5           HA       TYR   5   4.880   4.258   3.989
   40   1HB   TYR   5          1HB       TYR   5   2.446   3.235   2.515
   41   2HB   TYR   5          2HB       TYR   5   2.394   4.090   4.051
   42    HD1  TYR   5           HD1      TYR   5   3.093   4.413   0.453
   43    HD2  TYR   5           HD2      TYR   5   2.685   6.472   4.153
   44    HE1  TYR   5           HE1      TYR   5   3.013   6.554  -0.753
   45    HE2  TYR   5           HE2      TYR   5   2.603   8.619   2.957
   46    HH   TYR   5           HH       TYR   5   2.111   8.861  -0.351
   47    H    VAL   6           H        VAL   6   4.397   3.328   5.975
   48    HA   VAL   6           HA       VAL   6   4.382   0.388   5.977
   49    HB   VAL   6           HB       VAL   6   6.325   1.383   7.086
   50   1HG1  VAL   6          1HG1      VAL   6   5.304   3.495   7.783
   51   2HG1  VAL   6          2HG1      VAL   6   4.338   2.631   8.979
   52   3HG1  VAL   6          3HG1      VAL   6   6.093   2.679   9.132
   53   1HG2  VAL   6          1HG2      VAL   6   4.372   0.033   8.944
   54   2HG2  VAL   6          2HG2      VAL   6   5.562  -0.746   7.901
   55   3HG2  VAL   6          3HG2      VAL   6   6.094   0.230   9.271
   56    H    VAL   7           H        VAL   7   2.683  -0.680   6.757
   57    HA   VAL   7           HA       VAL   7   0.368   0.779   7.638
   58    HB   VAL   7           HB       VAL   7   0.771  -2.214   7.546
   59   1HG1  VAL   7          1HG1      VAL   7  -1.719  -0.517   7.641
   60   2HG1  VAL   7          2HG1      VAL   7  -1.695  -2.262   7.379
   61   3HG1  VAL   7          3HG1      VAL   7  -1.121  -1.591   8.906
   62   1HG2  VAL   7          1HG2      VAL   7   1.193  -1.207   5.361
   63   2HG2  VAL   7          2HG2      VAL   7  -0.309  -2.131   5.356
   64   3HG2  VAL   7          3HG2      VAL   7  -0.357  -0.370   5.442
   65    H    THR   8           H        THR   8   0.353   1.568   9.644
   66    HA   THR   8           HA       THR   8   1.308  -0.155  11.838
   67    HB   THR   8           HB       THR   8   1.665   1.889  13.146
   68    HG1  THR   8           HG1      THR   8   0.013   3.060  11.732
   69   1HG2  THR   8          1HG2      THR   8   2.986   1.979  10.431
   70   2HG2  THR   8          2HG2      THR   8   3.572   2.786  11.885
   71   3HG2  THR   8          3HG2      THR   8   3.523   1.025  11.814
   72    H    ALA   9           H        ALA   9  -1.433   0.233  10.455
   73    HA   ALA   9           HA       ALA   9  -2.942   0.392  12.966
   74   1HB   ALA   9          1HB       ALA   9  -3.141   2.579  11.890
   75   2HB   ALA   9          2HB       ALA   9  -4.688   1.731  11.916
   76   3HB   ALA   9          3HB       ALA   9  -3.747   1.806  10.426
   77    H    ASP  10           H        ASP  10  -2.052  -1.566  10.659
   78    HA   ASP  10           HA       ASP  10  -2.822  -3.520   9.796
   79   1HB   ASP  10          1HB       ASP  10  -3.644  -3.893  12.101
   80   2HB   ASP  10          2HB       ASP  10  -5.163  -3.112  11.672
   81    H    TYR  11           H        TYR  11  -4.438  -4.441   8.346
   82    HA   TYR  11           HA       TYR  11  -6.609  -2.776   7.444
   83   1HB   TYR  11          1HB       TYR  11  -4.645  -1.758   6.305
   84   2HB   TYR  11          2HB       TYR  11  -4.314  -3.313   5.548
   85    HD1  TYR  11           HD1      TYR  11  -5.464  -3.983   3.594
   86    HD2  TYR  11           HD2      TYR  11  -6.793  -0.569   5.755
   87    HE1  TYR  11           HE1      TYR  11  -6.985  -3.415   1.748
   88    HE2  TYR  11           HE2      TYR  11  -8.317   0.011   3.916
   89    HH   TYR  11           HH       TYR  11  -8.550  -0.403   1.515
   90    H    LEU  12           H        LEU  12  -7.847  -4.607   7.938
   91    HA   LEU  12           HA       LEU  12  -7.370  -6.978   6.268
   92   1HB   LEU  12          1HB       LEU  12  -7.450  -7.358   8.692
   93   2HB   LEU  12          2HB       LEU  12  -9.062  -6.671   8.747
   94    HG   LEU  12           HG       LEU  12  -9.824  -8.526   7.240
   95   1HD1  LEU  12          1HD1      LEU  12  -7.652  -9.100   6.284
   96   2HD1  LEU  12          2HD1      LEU  12  -7.096  -9.649   7.865
   97   3HD1  LEU  12          3HD1      LEU  12  -8.406 -10.500   7.046
   98   1HD2  LEU  12          1HD2      LEU  12 -10.201  -8.585   9.648
   99   2HD2  LEU  12          2HD2      LEU  12  -9.881 -10.201   9.018
  100   3HD2  LEU  12          3HD2      LEU  12  -8.618  -9.326   9.886
  101    HA   PRO  13           HA       PRO  13 -10.806  -5.608   3.723
  102   1HB   PRO  13          1HB       PRO  13 -10.802  -8.465   2.910
  103   2HB   PRO  13          2HB       PRO  13 -10.721  -7.011   1.911
  104   1HG   PRO  13          1HG       PRO  13  -8.559  -8.514   2.286
  105   2HG   PRO  13          2HG       PRO  13  -8.440  -6.744   2.256
  106   1HD   PRO  13          1HD       PRO  13  -8.422  -8.605   4.602
  107   2HD   PRO  13          2HD       PRO  13  -7.451  -7.146   4.314
  108    H    LEU  14           H        LEU  14 -13.028  -5.779   3.773
  109    HA   LEU  14           HA       LEU  14 -14.110  -7.500   5.880
  110   1HB   LEU  14          1HB       LEU  14 -15.295  -5.110   4.464
  111   2HB   LEU  14          2HB       LEU  14 -16.127  -6.048   5.690
  112    HG   LEU  14           HG       LEU  14 -13.562  -4.522   6.156
  113   1HD1  LEU  14          1HD1      LEU  14 -15.417  -3.011   5.673
  114   2HD1  LEU  14          2HD1      LEU  14 -16.396  -3.811   6.900
  115   3HD1  LEU  14          3HD1      LEU  14 -14.948  -2.924   7.370
  116   1HD2  LEU  14          1HD2      LEU  14 -13.851  -6.441   7.638
  117   2HD2  LEU  14          2HD2      LEU  14 -14.042  -4.924   8.518
  118   3HD2  LEU  14          3HD2      LEU  14 -15.462  -5.871   8.072
  119    H    GLY  15           H        GLY  15 -14.379  -9.462   4.904
  120   1HA   GLY  15          1HA       GLY  15 -16.690  -9.768   3.245
  121   2HA   GLY  15          2HA       GLY  15 -15.612 -11.050   3.777
  122    H    ALA  16           H        ALA  16 -16.386  -8.815   1.255
  123    HA   ALA  16           HA       ALA  16 -14.321 -10.060  -0.442
  124   1HB   ALA  16          1HB       ALA  16 -16.575 -10.791  -1.039
  125   2HB   ALA  16          2HB       ALA  16 -15.850  -9.830  -2.327
  126   3HB   ALA  16          3HB       ALA  16 -17.062  -9.112  -1.266
  127    H    GLU  17           H        GLU  17 -12.760  -8.658  -0.877
  128    HA   GLU  17           HA       GLU  17 -13.238  -5.811  -0.819
  129   1HB   GLU  17          1HB       GLU  17 -10.704  -5.913  -1.615
  130   2HB   GLU  17          2HB       GLU  17 -11.166  -6.157   0.062
  131   1HG   GLU  17          1HG       GLU  17  -9.541  -7.806  -0.599
  132   2HG   GLU  17          2HG       GLU  17 -11.090  -8.583  -0.281
  133    H    GLN  18           H        GLN  18 -13.416  -4.451  -2.503
  134    HA   GLN  18           HA       GLN  18 -13.331  -5.639  -5.196
  135   1HB   GLN  18          1HB       GLN  18 -15.544  -4.837  -4.558
  136   2HB   GLN  18          2HB       GLN  18 -14.885  -3.251  -4.183
  137   1HG   GLN  18          1HG       GLN  18 -14.318  -2.903  -6.509
  138   2HG   GLN  18          2HG       GLN  18 -14.882  -4.524  -6.910
  139   1HE2  GLN  18          1HE2      GLN  18 -16.495  -2.454  -4.611
  140   2HE2  GLN  18          2HE2      GLN  18 -17.905  -2.162  -5.566
  141    H    ASP  19           H        ASP  19 -11.633  -5.093  -6.371
  142    HA   ASP  19           HA       ASP  19  -9.873  -3.952  -7.243
  143   1HB   ASP  19          1HB       ASP  19 -11.616  -1.602  -6.486
  144   2HB   ASP  19          2HB       ASP  19 -10.136  -1.454  -7.426
  145    H    ALA  20           H        ALA  20 -10.143  -4.465  -4.235
  146    HA   ALA  20           HA       ALA  20  -8.053  -2.581  -3.357
  147   1HB   ALA  20          1HB       ALA  20 -10.108  -2.387  -2.056
  148   2HB   ALA  20          2HB       ALA  20 -10.032  -4.106  -1.665
  149   3HB   ALA  20          3HB       ALA  20  -8.788  -3.009  -1.065
  150    H    ILE  21           H        ILE  21  -6.539  -3.511  -1.710
  151    HA   ILE  21           HA       ILE  21  -5.975  -6.347  -2.269
  152    HB   ILE  21           HB       ILE  21  -4.376  -5.005  -3.500
  153   1HG1  ILE  21          1HG1      ILE  21  -3.074  -6.158  -1.022
  154   2HG1  ILE  21          2HG1      ILE  21  -3.613  -7.106  -2.405
  155   1HG2  ILE  21          1HG2      ILE  21  -4.527  -2.950  -2.214
  156   2HG2  ILE  21          2HG2      ILE  21  -3.717  -3.723  -0.852
  157   3HG2  ILE  21          3HG2      ILE  21  -2.846  -3.463  -2.363
  158   1HD1  ILE  21          1HD1      ILE  21  -2.021  -5.912  -3.828
  159   2HD1  ILE  21          2HD1      ILE  21  -1.471  -4.993  -2.428
  160   3HD1  ILE  21          3HD1      ILE  21  -1.225  -6.738  -2.489
  161    H    THR  22           H        THR  22  -5.498  -7.611  -0.557
  162    HA   THR  22           HA       THR  22  -6.041  -6.665   2.062
  163    HB   THR  22           HB       THR  22  -6.506  -8.987   1.423
  164    HG1  THR  22           HG1      THR  22  -6.252  -9.376   3.479
  165   1HG2  THR  22          1HG2      THR  22  -3.500  -9.227   1.260
  166   2HG2  THR  22          2HG2      THR  22  -4.607 -10.600   1.293
  167   3HG2  THR  22          3HG2      THR  22  -4.659  -9.458  -0.049
  168    H    LEU  23           H        LEU  23  -4.675  -6.351   3.813
  169    HA   LEU  23           HA       LEU  23  -1.796  -6.520   3.392
  170   1HB   LEU  23          1HB       LEU  23  -3.262  -3.968   4.033
  171   2HB   LEU  23          2HB       LEU  23  -1.547  -4.179   4.328
  172    HG   LEU  23           HG       LEU  23  -2.858  -4.390   1.616
  173   1HD1  LEU  23          1HD1      LEU  23  -2.970  -2.114   2.488
  174   2HD1  LEU  23          2HD1      LEU  23  -1.238  -2.150   2.819
  175   3HD1  LEU  23          3HD1      LEU  23  -1.819  -2.230   1.156
  176   1HD2  LEU  23          1HD2      LEU  23  -0.825  -5.723   1.820
  177   2HD2  LEU  23          2HD2      LEU  23  -0.561  -4.326   0.776
  178   3HD2  LEU  23          3HD2      LEU  23   0.046  -4.316   2.431
  179    H    ARG  24           H        ARG  24  -0.603  -5.909   5.436
  180    HA   ARG  24           HA       ARG  24  -2.162  -6.516   7.851
  181   1HB   ARG  24          1HB       ARG  24   0.391  -7.849   6.947
  182   2HB   ARG  24          2HB       ARG  24  -0.162  -7.893   8.615
  183   1HG   ARG  24          1HG       ARG  24  -2.237  -8.987   7.879
  184   2HG   ARG  24          2HG       ARG  24  -1.627  -8.986   6.222
  185   1HD   ARG  24          1HD       ARG  24   0.192 -10.421   6.822
  186   2HD   ARG  24          2HD       ARG  24  -0.198 -10.282   8.535
  187    HE   ARG  24           HE       ARG  24  -2.071 -11.542   6.646
  188   1HH1  ARG  24          1HH1      ARG  24  -0.128 -11.632   9.538
  189   2HH1  ARG  24          2HH1      ARG  24  -0.780 -13.142  10.084
  190   1HH2  ARG  24          1HH2      ARG  24  -2.936 -13.532   7.360
  191   2HH2  ARG  24          2HH2      ARG  24  -2.375 -14.220   8.847
  192    H    GLU  25           H        GLU  25  -1.303  -5.656   9.785
  193    HA   GLU  25           HA       GLU  25  -0.044  -3.156   9.519
  194   1HB   GLU  25          1HB       GLU  25  -1.514  -3.649  11.393
  195   2HB   GLU  25          2HB       GLU  25  -0.410  -4.887  11.968
  196   1HG   GLU  25          1HG       GLU  25   1.278  -3.199  12.420
  197   2HG   GLU  25          2HG       GLU  25   0.208  -1.946  11.794
  198    H    GLY  26           H        GLY  26   1.905  -3.289   8.479
  199   1HA   GLY  26          1HA       GLY  26   4.006  -4.923   9.737
  200   2HA   GLY  26          2HA       GLY  26   4.271  -3.205   9.475
  201    H    GLN  27           H        GLN  27   2.557  -3.625   6.925
  202    HA   GLN  27           HA       GLN  27   4.544  -4.983   5.271
  203   1HB   GLN  27          1HB       GLN  27   1.670  -4.672   5.224
  204   2HB   GLN  27          2HB       GLN  27   2.379  -4.181   3.699
  205   1HG   GLN  27          1HG       GLN  27   2.742  -6.834   5.064
  206   2HG   GLN  27          2HG       GLN  27   1.751  -6.516   3.641
  207   1HE2  GLN  27          1HE2      GLN  27   2.749  -6.153   1.659
  208   2HE2  GLN  27          2HE2      GLN  27   4.403  -6.561   1.373
  209    H    TYR  28           H        TYR  28   5.541  -3.978   3.546
  210    HA   TYR  28           HA       TYR  28   5.398  -1.038   3.552
  211   1HB   TYR  28          1HB       TYR  28   7.662  -2.668   2.415
  212   2HB   TYR  28          2HB       TYR  28   7.671  -0.980   2.912
  213    HD1  TYR  28           HD1      TYR  28   7.218  -0.555   5.461
  214    HD2  TYR  28           HD2      TYR  28   8.528  -4.269   3.850
  215    HE1  TYR  28           HE1      TYR  28   8.071  -1.209   7.674
  216    HE2  TYR  28           HE2      TYR  28   9.384  -4.933   6.057
  217    HH   TYR  28           HH       TYR  28  10.128  -3.870   8.139
  218    H    VAL  29           H        VAL  29   4.930   0.059   1.702
  219    HA   VAL  29           HA       VAL  29   5.078  -1.221  -0.879
  220    HB   VAL  29           HB       VAL  29   2.967  -2.123  -0.255
  221   1HG1  VAL  29          1HG1      VAL  29   2.158   0.673   0.535
  222   2HG1  VAL  29          2HG1      VAL  29   1.096  -0.735   0.520
  223   3HG1  VAL  29          3HG1      VAL  29   2.465  -0.677   1.630
  224   1HG2  VAL  29          1HG2      VAL  29   3.174  -1.138  -2.534
  225   2HG2  VAL  29          2HG2      VAL  29   1.516  -1.236  -1.940
  226   3HG2  VAL  29          3HG2      VAL  29   2.369   0.308  -1.928
  227    H    GLU  30           H        GLU  30   5.745   0.263  -2.267
  228    HA   GLU  30           HA       GLU  30   5.693   3.057  -1.662
  229   1HB   GLU  30          1HB       GLU  30   6.785   3.244  -3.929
  230   2HB   GLU  30          2HB       GLU  30   7.630   2.240  -2.761
  231   1HG   GLU  30          1HG       GLU  30   6.646   0.241  -3.809
  232   2HG   GLU  30          2HG       GLU  30   5.884   1.278  -5.015
  233    H    VAL  31           H        VAL  31   4.799   4.722  -2.960
  234    HA   VAL  31           HA       VAL  31   2.174   4.056  -4.010
  235    HB   VAL  31           HB       VAL  31   2.432   5.965  -2.466
  236   1HG1  VAL  31          1HG1      VAL  31   4.653   6.700  -3.147
  237   2HG1  VAL  31          2HG1      VAL  31   4.016   7.211  -4.711
  238   3HG1  VAL  31          3HG1      VAL  31   3.498   8.030  -3.237
  239   1HG2  VAL  31          1HG2      VAL  31   1.545   6.726  -5.249
  240   2HG2  VAL  31          2HG2      VAL  31   0.558   5.942  -4.016
  241   3HG2  VAL  31          3HG2      VAL  31   1.129   7.591  -3.770
  242    H    LEU  32           H        LEU  32   1.468   4.472  -6.098
  243    HA   LEU  32           HA       LEU  32   3.606   4.952  -8.066
  244   1HB   LEU  32          1HB       LEU  32   1.051   3.372  -8.339
  245   2HB   LEU  32          2HB       LEU  32   2.156   3.703  -9.659
  246    HG   LEU  32           HG       LEU  32   2.910   2.162  -7.176
  247   1HD1  LEU  32          1HD1      LEU  32   2.076   1.183  -9.901
  248   2HD1  LEU  32          2HD1      LEU  32   2.810   0.179  -8.651
  249   3HD1  LEU  32          3HD1      LEU  32   1.233   0.918  -8.376
  250   1HD2  LEU  32          1HD2      LEU  32   4.787   3.246  -8.305
  251   2HD2  LEU  32          2HD2      LEU  32   4.855   1.494  -8.495
  252   3HD2  LEU  32          3HD2      LEU  32   4.302   2.505  -9.830
  253    H    ASP  33           H        ASP  33   0.046   5.105  -8.158
  254    HA   ASP  33           HA       ASP  33  -0.104   7.131 -10.060
  255   1HB   ASP  33          1HB       ASP  33  -2.001   5.690  -9.493
  256   2HB   ASP  33          2HB       ASP  33  -2.107   6.440  -7.903
  257    H    ALA  34           H        ALA  34  -1.168   7.636  -6.705
  258    HA   ALA  34           HA       ALA  34  -1.032   9.425  -5.311
  259   1HB   ALA  34          1HB       ALA  34   1.014  10.747  -5.310
  260   2HB   ALA  34          2HB       ALA  34   1.452  10.090  -6.888
  261   3HB   ALA  34          3HB       ALA  34   1.380   9.030  -5.480
  262    H    ALA  35           H        ALA  35  -2.916  10.428  -6.001
  263    HA   ALA  35           HA       ALA  35  -2.493  12.873  -7.558
  264   1HB   ALA  35          1HB       ALA  35  -4.495  12.511  -8.879
  265   2HB   ALA  35          2HB       ALA  35  -3.360  11.183  -9.120
  266   3HB   ALA  35          3HB       ALA  35  -4.768  10.962  -8.081
  267    H    HIS  36           H        HIS  36  -5.326  11.193  -6.184
  268    HA   HIS  36           HA       HIS  36  -5.926  13.646  -4.677
  269   1HB   HIS  36          1HB       HIS  36  -7.537  12.301  -6.416
  270   2HB   HIS  36          2HB       HIS  36  -8.021  11.581  -4.884
  271    HD1  HIS  36           HD1      HIS  36  -8.743  13.425  -2.990
  272    HD2  HIS  36           HD2      HIS  36  -8.739  14.671  -6.955
  273    HE1  HIS  36           HE1      HIS  36 -10.152  15.508  -3.042
  274    HE2  HIS  36           HE2      HIS  36 -10.078  16.283  -5.438
  275    HA   PRO  37           HA       PRO  37  -4.823  11.663  -0.845
  276   1HB   PRO  37          1HB       PRO  37  -7.163  13.245   0.141
  277   2HB   PRO  37          2HB       PRO  37  -5.538  13.132   0.805
  278   1HG   PRO  37          1HG       PRO  37  -6.215  15.245  -0.511
  279   2HG   PRO  37          2HG       PRO  37  -4.627  14.527  -0.797
  280   1HD   PRO  37          1HD       PRO  37  -7.093  14.405  -2.491
  281   2HD   PRO  37          2HD       PRO  37  -5.392  14.553  -2.984
  282    H    LEU  38           H        LEU  38  -8.018  11.604  -2.200
  283    HA   LEU  38           HA       LEU  38  -9.430  10.025  -0.437
  284   1HB   LEU  38          1HB       LEU  38  -9.523   9.770  -3.441
  285   2HB   LEU  38          2HB       LEU  38 -10.788   9.326  -2.313
  286    HG   LEU  38           HG       LEU  38  -9.820  12.132  -2.861
  287   1HD1  LEU  38          1HD1      LEU  38 -11.111  11.157  -4.700
  288   2HD1  LEU  38          2HD1      LEU  38 -12.414  10.771  -3.574
  289   3HD1  LEU  38          3HD1      LEU  38 -11.995  12.454  -3.895
  290   1HD2  LEU  38          1HD2      LEU  38 -12.034  11.130  -1.075
  291   2HD2  LEU  38          2HD2      LEU  38 -10.532  11.894  -0.553
  292   3HD2  LEU  38          3HD2      LEU  38 -11.723  12.821  -1.467
  293    H    ARG  39           H        ARG  39  -7.901   8.675  -3.368
  294    HA   ARG  39           HA       ARG  39  -6.876   6.435  -1.815
  295   1HB   ARG  39          1HB       ARG  39  -7.901   4.790  -3.392
  296   2HB   ARG  39          2HB       ARG  39  -9.064   5.624  -2.372
  297   1HG   ARG  39          1HG       ARG  39  -9.426   7.209  -4.312
  298   2HG   ARG  39          2HG       ARG  39  -8.507   6.062  -5.289
  299   1HD   ARG  39          1HD       ARG  39 -11.031   5.459  -3.751
  300   2HD   ARG  39          2HD       ARG  39 -10.916   5.693  -5.493
  301    HE   ARG  39           HE       ARG  39  -9.179   3.625  -4.607
  302   1HH1  ARG  39          1HH1      ARG  39 -12.512   4.344  -5.321
  303   2HH1  ARG  39          2HH1      ARG  39 -12.918   2.705  -5.706
  304   1HH2  ARG  39          1HH2      ARG  39  -9.707   1.460  -5.113
  305   2HH2  ARG  39          2HH2      ARG  39 -11.326   1.068  -5.586
  306    H    TRP  40           H        TRP  40  -4.972   5.716  -2.572
  307    HA   TRP  40           HA       TRP  40  -4.117   6.676  -5.225
  308   1HB   TRP  40          1HB       TRP  40  -2.478   6.192  -2.729
  309   2HB   TRP  40          2HB       TRP  40  -1.787   6.547  -4.307
  310    HD1  TRP  40           HD1      TRP  40  -3.927   8.879  -5.068
  311    HE1  TRP  40           HE1      TRP  40  -3.668  11.170  -3.924
  312    HE3  TRP  40           HE3      TRP  40  -1.164   7.453  -1.010
  313    HZ2  TRP  40           HZ2      TRP  40  -2.454  12.231  -1.607
  314    HZ3  TRP  40           HZ3      TRP  40  -0.493   9.169   0.622
  315    HH2  TRP  40           HH2      TRP  40  -1.125  11.508   0.328
  316    H    LEU  41           H        LEU  41  -2.836   5.318  -6.513
  317    HA   LEU  41           HA       LEU  41  -3.348   2.487  -6.113
  318   1HB   LEU  41          1HB       LEU  41  -3.751   3.275  -8.320
  319   2HB   LEU  41          2HB       LEU  41  -2.205   4.097  -8.387
  320    HG   LEU  41           HG       LEU  41  -1.060   1.902  -8.406
  321   1HD1  LEU  41          1HD1      LEU  41  -3.862   0.802  -8.587
  322   2HD1  LEU  41          2HD1      LEU  41  -2.379  -0.121  -8.835
  323   3HD1  LEU  41          3HD1      LEU  41  -2.731   0.574  -7.253
  324   1HD2  LEU  41          1HD2      LEU  41  -1.569   3.070 -10.492
  325   2HD2  LEU  41          2HD2      LEU  41  -1.647   1.320 -10.698
  326   3HD2  LEU  41          3HD2      LEU  41  -3.134   2.260 -10.566
  327    H    VAL  42           H        VAL  42  -1.953   1.240  -5.052
  328    HA   VAL  42           HA       VAL  42   0.912   1.915  -5.198
  329    HB   VAL  42           HB       VAL  42   1.216   1.239  -2.901
  330   1HG1  VAL  42          1HG1      VAL  42   0.637   3.572  -3.317
  331   2HG1  VAL  42          2HG1      VAL  42  -1.075   3.183  -3.157
  332   3HG1  VAL  42          3HG1      VAL  42  -0.002   3.028  -1.766
  333   1HG2  VAL  42          1HG2      VAL  42  -1.750   0.692  -2.901
  334   2HG2  VAL  42          2HG2      VAL  42  -0.455  -0.491  -2.718
  335   3HG2  VAL  42          3HG2      VAL  42  -0.731   0.715  -1.461
  336    H    ARG  43           H        ARG  43   2.386   0.195  -5.130
  337    HA   ARG  43           HA       ARG  43   1.230  -2.481  -5.570
  338   1HB   ARG  43          1HB       ARG  43   2.008  -1.582  -7.700
  339   2HB   ARG  43          2HB       ARG  43   3.577  -1.219  -7.000
  340   1HG   ARG  43          1HG       ARG  43   3.948  -3.622  -6.633
  341   2HG   ARG  43          2HG       ARG  43   2.400  -3.957  -7.410
  342   1HD   ARG  43          1HD       ARG  43   4.710  -2.522  -8.712
  343   2HD   ARG  43          2HD       ARG  43   4.341  -4.233  -8.925
  344    HE   ARG  43           HE       ARG  43   2.419  -2.133  -9.683
  345   1HH1  ARG  43          1HH1      ARG  43   4.283  -4.983 -10.425
  346   2HH1  ARG  43          2HH1      ARG  43   3.540  -5.222 -11.971
  347   1HH2  ARG  43          1HH2      ARG  43   1.440  -2.440 -11.719
  348   2HH2  ARG  43          2HH2      ARG  43   1.926  -3.777 -12.708
  349    H    THR  44           H        THR  44   1.788  -3.757  -3.929
  350    HA   THR  44           HA       THR  44   3.838  -3.193  -2.090
  351    HB   THR  44           HB       THR  44   3.452  -5.405  -1.168
  352    HG1  THR  44           HG1      THR  44   1.511  -6.214  -2.904
  353   1HG2  THR  44          1HG2      THR  44   0.891  -4.110  -2.111
  354   2HG2  THR  44          2HG2      THR  44   1.023  -5.270  -0.789
  355   3HG2  THR  44          3HG2      THR  44   1.797  -3.691  -0.657
  356    H    LYS  45           H        LYS  45   5.892  -3.968  -1.828
  357    HA   LYS  45           HA       LYS  45   7.300  -4.705  -4.194
  358   1HB   LYS  45          1HB       LYS  45   8.218  -4.610  -1.316
  359   2HB   LYS  45          2HB       LYS  45   9.275  -4.796  -2.708
  360   1HG   LYS  45          1HG       LYS  45   8.666  -2.605  -3.516
  361   2HG   LYS  45          2HG       LYS  45   7.494  -2.420  -2.210
  362   1HD   LYS  45          1HD       LYS  45   9.484  -1.207  -1.629
  363   2HD   LYS  45          2HD       LYS  45   9.365  -2.623  -0.583
  364   1HE   LYS  45          1HE       LYS  45  11.648  -2.336  -1.353
  365   2HE   LYS  45          2HE       LYS  45  10.955  -3.809  -2.030
  366   1HZ   LYS  45          1HZ       LYS  45  10.519  -2.583  -4.088
  367   2HZ   LYS  45          2HZ       LYS  45  11.260  -1.210  -3.434
  368   3HZ   LYS  45          3HZ       LYS  45  12.168  -2.610  -3.711
  369    HA   PRO  46           HA       PRO  46   6.813  -9.123  -3.701
  370   1HB   PRO  46          1HB       PRO  46   8.438  -9.915  -5.702
  371   2HB   PRO  46          2HB       PRO  46   6.851  -9.201  -6.008
  372   1HG   PRO  46          1HG       PRO  46   9.559  -7.934  -6.136
  373   2HG   PRO  46          2HG       PRO  46   8.183  -7.751  -7.239
  374   1HD   PRO  46          1HD       PRO  46   8.814  -5.929  -5.307
  375   2HD   PRO  46          2HD       PRO  46   7.165  -6.187  -5.908
  376    H    THR  47           H        THR  47   8.172 -11.032  -3.288
  377    HA   THR  47           HA       THR  47  10.941 -10.543  -2.562
  378    HB   THR  47           HB       THR  47   9.876  -9.883  -0.506
  379    HG1  THR  47           HG1      THR  47  11.470 -10.970   0.355
  380   1HG2  THR  47          1HG2      THR  47   7.707 -10.969  -0.833
  381   2HG2  THR  47          2HG2      THR  47   8.454 -12.548  -0.589
  382   3HG2  THR  47          3HG2      THR  47   8.392 -11.387   0.737
  383    H    LYS  48           H        LYS  48  12.181 -12.304  -2.787
  384    HA   LYS  48           HA       LYS  48  12.844 -14.417  -3.265
  385   1HB   LYS  48          1HB       LYS  48  10.204 -15.226  -2.035
  386   2HB   LYS  48          2HB       LYS  48  11.558 -16.299  -2.359
  387   1HG   LYS  48          1HG       LYS  48  12.936 -14.982  -0.789
  388   2HG   LYS  48          2HG       LYS  48  11.519 -13.999  -0.417
  389   1HD   LYS  48          1HD       LYS  48  11.683 -16.986  -0.036
  390   2HD   LYS  48          2HD       LYS  48  11.949 -15.798   1.240
  391   1HE   LYS  48          1HE       LYS  48   9.666 -14.942   0.886
  392   2HE   LYS  48          2HE       LYS  48   9.409 -16.179  -0.344
  393   1HZ   LYS  48          1HZ       LYS  48   9.771 -17.874   1.355
  394   2HZ   LYS  48          2HZ       LYS  48   9.976 -16.675   2.530
  395   3HZ   LYS  48          3HZ       LYS  48   8.479 -16.863   1.765
  396    H    SER  49           H        SER  49   9.381 -15.053  -3.702
  397    HA   SER  49           HA       SER  49   9.657 -14.944  -6.591
  398   1HB   SER  49          1HB       SER  49  10.409 -17.226  -6.007
  399   2HB   SER  49          2HB       SER  49   8.872 -17.513  -5.194
  400    HG   SER  49           HG       SER  49   9.366 -17.997  -7.667
  401    H    SER  50           H        SER  50   8.062 -13.791  -4.251
  402    HA   SER  50           HA       SER  50   5.351 -14.615  -4.809
  403   1HB   SER  50          1HB       SER  50   5.968 -13.968  -2.530
  404   2HB   SER  50          2HB       SER  50   6.414 -12.357  -3.094
  405    HG   SER  50           HG       SER  50   4.352 -12.211  -2.314
  406    HA   PRO  51           HA       PRO  51   4.908 -11.867  -8.304
  407   1HB   PRO  51          1HB       PRO  51   2.163 -12.020  -8.406
  408   2HB   PRO  51          2HB       PRO  51   3.255 -13.213  -9.116
  409   1HG   PRO  51          1HG       PRO  51   1.836 -13.287  -6.480
  410   2HG   PRO  51          2HG       PRO  51   2.034 -14.579  -7.680
  411   1HD   PRO  51          1HD       PRO  51   3.552 -14.493  -5.489
  412   2HD   PRO  51          2HD       PRO  51   4.240 -14.980  -7.054
  413    H    SER  52           H        SER  52   4.551  -9.721  -8.520
  414    HA   SER  52           HA       SER  52   3.911  -8.205  -6.174
  415   1HB   SER  52          1HB       SER  52   4.317  -6.236  -7.612
  416   2HB   SER  52          2HB       SER  52   5.623  -7.414  -7.731
  417    HG   SER  52           HG       SER  52   3.641  -7.846  -9.556
  418    H    ARG  53           H        ARG  53   2.010  -7.426  -5.565
  419    HA   ARG  53           HA       ARG  53  -0.173  -7.339  -7.545
  420   1HB   ARG  53          1HB       ARG  53  -0.362  -8.009  -4.604
  421   2HB   ARG  53          2HB       ARG  53  -1.729  -7.851  -5.699
  422   1HG   ARG  53          1HG       ARG  53  -0.588  -9.686  -7.078
  423   2HG   ARG  53          2HG       ARG  53   0.388  -9.968  -5.633
  424   1HD   ARG  53          1HD       ARG  53  -1.709 -10.251  -4.338
  425   2HD   ARG  53          2HD       ARG  53  -2.615 -10.099  -5.843
  426    HE   ARG  53           HE       ARG  53  -0.614 -12.155  -5.923
  427   1HH1  ARG  53          1HH1      ARG  53  -3.888 -11.397  -4.996
  428   2HH1  ARG  53          2HH1      ARG  53  -4.431 -13.039  -5.092
  429   1HH2  ARG  53          1HH2      ARG  53  -1.321 -14.318  -6.051
  430   2HH2  ARG  53          2HH2      ARG  53  -2.973 -14.699  -5.693
  431    H    GLN  54           H        GLN  54  -1.250  -5.464  -7.743
  432    HA   GLN  54           HA       GLN  54  -0.651  -3.347  -5.786
  433   1HB   GLN  54          1HB       GLN  54  -1.414  -1.970  -8.009
  434   2HB   GLN  54          2HB       GLN  54   0.249  -2.305  -7.558
  435   1HG   GLN  54          1HG       GLN  54   0.027  -2.860  -9.839
  436   2HG   GLN  54          2HG       GLN  54   0.115  -4.379  -8.951
  437   1HE2  GLN  54          1HE2      GLN  54  -1.903  -2.248 -10.801
  438   2HE2  GLN  54          2HE2      GLN  54  -3.204  -3.357 -11.047
  439    H    GLY  55           H        GLY  55  -2.283  -2.270  -4.863
  440   1HA   GLY  55          1HA       GLY  55  -4.754  -3.128  -4.437
  441   2HA   GLY  55          2HA       GLY  55  -4.963  -2.383  -6.015
  442    H    TRP  56           H        TRP  56  -6.446  -0.894  -5.085
  443    HA   TRP  56           HA       TRP  56  -5.193   1.513  -4.168
  444   1HB   TRP  56          1HB       TRP  56  -8.137   0.860  -4.414
  445   2HB   TRP  56          2HB       TRP  56  -7.443   2.467  -4.225
  446    HD1  TRP  56           HD1      TRP  56  -7.733  -0.372  -6.803
  447    HE1  TRP  56           HE1      TRP  56  -7.323   0.614  -9.144
  448    HE3  TRP  56           HE3      TRP  56  -6.375   4.374  -5.463
  449    HZ2  TRP  56           HZ2      TRP  56  -6.533   3.074 -10.274
  450    HZ3  TRP  56           HZ3      TRP  56  -5.808   5.981  -7.238
  451    HH2  TRP  56           HH2      TRP  56  -5.885   5.343  -9.594
  452    H    VAL  57           H        VAL  57  -4.787   2.071  -2.141
  453    HA   VAL  57           HA       VAL  57  -6.384   0.835   0.005
  454    HB   VAL  57           HB       VAL  57  -4.427   0.872   1.454
  455   1HG1  VAL  57          1HG1      VAL  57  -3.885  -0.488  -1.185
  456   2HG1  VAL  57          2HG1      VAL  57  -3.111  -0.881   0.351
  457   3HG1  VAL  57          3HG1      VAL  57  -4.844  -1.137   0.147
  458   1HG2  VAL  57          1HG2      VAL  57  -2.959   1.921  -0.964
  459   2HG2  VAL  57          2HG2      VAL  57  -3.263   2.790   0.539
  460   3HG2  VAL  57          3HG2      VAL  57  -2.197   1.386   0.533
  461    H    SER  58           H        SER  58  -6.366   2.104   2.050
  462    HA   SER  58           HA       SER  58  -6.879   4.895   1.440
  463   1HB   SER  58          1HB       SER  58  -7.761   4.938   3.799
  464   2HB   SER  58          2HB       SER  58  -8.566   3.784   2.737
  465    HG   SER  58           HG       SER  58  -7.822   2.191   3.905
  466    HA   PRO  59           HA       PRO  59  -2.712   5.812   2.960
  467   1HB   PRO  59          1HB       PRO  59  -2.755   8.450   2.319
  468   2HB   PRO  59          2HB       PRO  59  -2.436   7.176   1.136
  469   1HG   PRO  59          1HG       PRO  59  -4.978   8.658   1.689
  470   2HG   PRO  59          2HG       PRO  59  -4.255   8.218   0.131
  471   1HD   PRO  59          1HD       PRO  59  -6.292   6.821   1.236
  472   2HD   PRO  59          2HD       PRO  59  -5.043   6.054   0.234
  473    H    ALA  60           H        ALA  60  -5.733   6.867   4.069
  474    HA   ALA  60           HA       ALA  60  -4.934   8.828   5.952
  475   1HB   ALA  60          1HB       ALA  60  -7.239   8.643   5.207
  476   2HB   ALA  60          2HB       ALA  60  -7.367   7.048   5.947
  477   3HB   ALA  60          3HB       ALA  60  -7.140   8.473   6.959
  478    H    TYR  61           H        TYR  61  -4.502   5.475   5.862
  479    HA   TYR  61           HA       TYR  61  -3.992   5.395   8.764
  480   1HB   TYR  61          1HB       TYR  61  -4.692   3.103   6.914
  481   2HB   TYR  61          2HB       TYR  61  -4.358   2.961   8.638
  482    HD1  TYR  61           HD1      TYR  61  -5.948   3.950  10.282
  483    HD2  TYR  61           HD2      TYR  61  -6.825   3.791   6.123
  484    HE1  TYR  61           HE1      TYR  61  -8.326   4.337  10.774
  485    HE2  TYR  61           HE2      TYR  61  -9.205   4.177   6.603
  486    HH   TYR  61           HH       TYR  61 -10.327   5.229   9.608
  487    H    LEU  62           H        LEU  62  -2.369   5.995   6.153
  488    HA   LEU  62           HA       LEU  62  -0.130   4.169   6.720
  489   1HB   LEU  62          1HB       LEU  62  -1.172   5.412   4.252
  490   2HB   LEU  62          2HB       LEU  62   0.574   5.368   4.397
  491    HG   LEU  62           HG       LEU  62   0.588   2.977   4.521
  492   1HD1  LEU  62          1HD1      LEU  62  -2.427   3.153   4.585
  493   2HD1  LEU  62          2HD1      LEU  62  -1.495   1.656   4.410
  494   3HD1  LEU  62          3HD1      LEU  62  -1.369   2.609   5.899
  495   1HD2  LEU  62          1HD2      LEU  62   0.421   3.965   2.286
  496   2HD2  LEU  62          2HD2      LEU  62  -0.366   2.389   2.362
  497   3HD2  LEU  62          3HD2      LEU  62  -1.337   3.860   2.374
  498    H    ASP  63           H        ASP  63   1.967   5.000   6.909
  499    HA   ASP  63           HA       ASP  63   2.105   7.887   7.491
  500   1HB   ASP  63          1HB       ASP  63   3.725   5.660   8.750
  501   2HB   ASP  63          2HB       ASP  63   3.840   7.372   9.143
  502    H    ARG  64           H        ARG  64   3.887   9.042   6.750
  503    HA   ARG  64           HA       ARG  64   5.059   8.130   4.356
  504   1HB   ARG  64          1HB       ARG  64   6.403  10.168   4.422
  505   2HB   ARG  64          2HB       ARG  64   4.724  10.509   4.807
  506   1HG   ARG  64          1HG       ARG  64   6.616  10.023   7.047
  507   2HG   ARG  64          2HG       ARG  64   6.696  11.562   6.188
  508   1HD   ARG  64          1HD       ARG  64   4.290  11.891   6.616
  509   2HD   ARG  64          2HD       ARG  64   4.266  10.386   7.534
  510    HE   ARG  64           HE       ARG  64   6.212  11.831   8.746
  511   1HH1  ARG  64          1HH1      ARG  64   2.888  12.493   7.926
  512   2HH1  ARG  64          2HH1      ARG  64   2.641  13.569   9.260
  513   1HH2  ARG  64          1HH2      ARG  64   5.892  13.244  10.502
  514   2HH2  ARG  64          2HH2      ARG  64   4.347  13.996  10.724
  515    H    ARG  65           H        ARG  65   6.902   7.098   3.914
  516    HA   ARG  65           HA       ARG  65   8.962   6.842   5.966
  517   1HB   ARG  65          1HB       ARG  65   7.274   4.635   4.920
  518   2HB   ARG  65          2HB       ARG  65   8.992   4.302   5.098
  519   1HG   ARG  65          1HG       ARG  65   7.251   5.367   7.310
  520   2HG   ARG  65          2HG       ARG  65   7.595   3.655   7.055
  521   1HD   ARG  65          1HD       ARG  65  10.028   4.206   7.220
  522   2HD   ARG  65          2HD       ARG  65   9.568   5.843   7.683
  523    HE   ARG  65           HE       ARG  65   8.284   3.967   9.356
  524   1HH1  ARG  65          1HH1      ARG  65  11.409   5.376   8.730
  525   2HH1  ARG  65          2HH1      ARG  65  11.979   5.147  10.349
  526   1HH2  ARG  65          1HH2      ARG  65   9.029   3.658  11.492
  527   2HH2  ARG  65          2HH2      ARG  65  10.628   4.169  11.918
  528    H    LEU  66           H        LEU  66  10.619   7.745   4.915
  529    HA   LEU  66           HA       LEU  66  11.084   7.001   2.111
  530   1HB   LEU  66          1HB       LEU  66  12.087   9.324   3.749
  531   2HB   LEU  66          2HB       LEU  66  12.674   8.955   2.140
  532    HG   LEU  66           HG       LEU  66  10.265   9.190   1.353
  533   1HD1  LEU  66          1HD1      LEU  66   9.982  10.474   4.066
  534   2HD1  LEU  66          2HD1      LEU  66   8.800  10.555   2.759
  535   3HD1  LEU  66          3HD1      LEU  66   9.172   9.007   3.518
  536   1HD2  LEU  66          1HD2      LEU  66  11.676  11.598   2.495
  537   2HD2  LEU  66          2HD2      LEU  66  11.975  10.866   0.917
  538   3HD2  LEU  66          3HD2      LEU  66  10.422  11.631   1.256
  539    H    LYS  67           H        LYS  67  12.955   6.060   1.456
  540    HA   LYS  67           HA       LYS  67  14.881   4.866   1.549
  541   1HB   LYS  67          1HB       LYS  67  15.834   6.982   2.388
  542   2HB   LYS  67          2HB       LYS  67  15.441   6.499   4.031
  543   1HG   LYS  67          1HG       LYS  67  17.774   6.109   3.612
  544   2HG   LYS  67          2HG       LYS  67  16.945   4.561   3.792
  545   1HD   LYS  67          1HD       LYS  67  16.844   4.365   1.333
  546   2HD   LYS  67          2HD       LYS  67  17.744   5.877   1.196
  547   1HE   LYS  67          1HE       LYS  67  19.231   3.973   0.936
  548   2HE   LYS  67          2HE       LYS  67  19.617   4.863   2.408
  549   1HZ   LYS  67          1HZ       LYS  67  18.017   2.365   2.276
  550   2HZ   LYS  67          2HZ       LYS  67  19.628   2.475   2.777
  551   3HZ   LYS  67          3HZ       LYS  67  18.407   3.213   3.686
  552    H    LEU  68           H        LEU  68  15.725   2.979   2.451
  553    HA   LEU  68           HA       LEU  68  15.636   1.014   3.590
  554   1HB   LEU  68          1HB       LEU  68  16.422   2.434   5.437
  555   2HB   LEU  68          2HB       LEU  68  14.761   2.790   5.870
  556    HG   LEU  68           HG       LEU  68  14.421   0.361   6.344
  557   1HD1  LEU  68          1HD1      LEU  68  16.211  -0.523   4.940
  558   2HD1  LEU  68          2HD1      LEU  68  17.412   0.229   5.990
  559   3HD1  LEU  68          3HD1      LEU  68  16.383  -1.061   6.611
  560   1HD2  LEU  68          1HD2      LEU  68  14.885   1.953   8.132
  561   2HD2  LEU  68          2HD2      LEU  68  15.623   0.387   8.470
  562   3HD2  LEU  68          3HD2      LEU  68  16.618   1.725   7.896

  No H/Q in entry =         562
  Start of MODEL   11
    1    H1   ILE   1           H1       ILE   1  12.048   8.958  -3.666
    2    H2   ILE   1           H2       ILE   1  13.426   8.024  -3.973
    3    H3   ILE   1           H3       ILE   1  13.088   9.375  -4.932
    4    HA   ILE   1           HA       ILE   1  11.115   8.338  -5.801
    5    HB   ILE   1           HB       ILE   1  12.168   6.496  -7.068
    6   1HG1  ILE   1          1HG1      ILE   1  14.576   7.012  -5.308
    7   2HG1  ILE   1          2HG1      ILE   1  13.527   5.606  -5.174
    8   1HG2  ILE   1          1HG2      ILE   1  12.472   8.814  -7.765
    9   2HG2  ILE   1          2HG2      ILE   1  13.906   8.939  -6.747
   10   3HG2  ILE   1          3HG2      ILE   1  13.902   7.850  -8.133
   11   1HD1  ILE   1          1HD1      ILE   1  14.147   4.928  -7.433
   12   2HD1  ILE   1          2HD1      ILE   1  15.200   6.338  -7.565
   13   3HD1  ILE   1          3HD1      ILE   1  15.559   5.078  -6.385
   14    H    PHE   2           H        PHE   2   9.599   6.727  -5.778
   15    HA   PHE   2           HA       PHE   2   8.274   5.100  -4.910
   16   1HB   PHE   2          1HB       PHE   2  10.887   3.843  -4.045
   17   2HB   PHE   2          2HB       PHE   2   9.338   3.022  -4.210
   18    HD1  PHE   2           HD1      PHE   2  12.312   4.132  -5.887
   19    HD2  PHE   2           HD2      PHE   2   8.312   2.814  -6.490
   20    HE1  PHE   2           HE1      PHE   2  12.836   3.632  -8.238
   21    HE2  PHE   2           HE2      PHE   2   8.828   2.309  -8.842
   22    HZ   PHE   2           HZ       PHE   2  11.093   2.718  -9.718
   23    H    ASP   3           H        ASP   3   7.144   6.080  -3.317
   24    HA   ASP   3           HA       ASP   3   8.354   6.484  -0.701
   25   1HB   ASP   3          1HB       ASP   3   5.597   7.184  -1.730
   26   2HB   ASP   3          2HB       ASP   3   6.239   7.637  -0.153
   27    H    ILE   4           H        ILE   4   8.527   4.590   0.363
   28    HA   ILE   4           HA       ILE   4   6.397   2.643   0.374
   29    HB   ILE   4           HB       ILE   4   8.930   2.671   2.016
   30   1HG1  ILE   4          1HG1      ILE   4   8.455   1.285  -0.629
   31   2HG1  ILE   4          2HG1      ILE   4   9.315   2.813  -0.466
   32   1HG2  ILE   4          1HG2      ILE   4   7.134   1.154   2.779
   33   2HG2  ILE   4          2HG2      ILE   4   7.166   0.372   1.199
   34   3HG2  ILE   4          3HG2      ILE   4   8.582   0.302   2.247
   35   1HD1  ILE   4          1HD1      ILE   4  10.133   0.200   0.783
   36   2HD1  ILE   4          2HD1      ILE   4  10.841   0.925  -0.660
   37   3HD1  ILE   4          3HD1      ILE   4  11.004   1.729   0.901
   38    H    TYR   5           H        TYR   5   4.685   2.885   1.647
   39    HA   TYR   5           HA       TYR   5   4.940   4.347   4.177
   40   1HB   TYR   5          1HB       TYR   5   2.522   3.554   2.547
   41   2HB   TYR   5          2HB       TYR   5   2.428   4.332   4.122
   42    HD1  TYR   5           HD1      TYR   5   3.723   4.799   0.669
   43    HD2  TYR   5           HD2      TYR   5   2.540   6.665   4.305
   44    HE1  TYR   5           HE1      TYR   5   3.875   7.000  -0.418
   45    HE2  TYR   5           HE2      TYR   5   2.689   8.871   3.227
   46    HH   TYR   5           HH       TYR   5   3.827   9.915   1.319
   47    H    VAL   6           H        VAL   6   4.801   3.346   6.094
   48    HA   VAL   6           HA       VAL   6   4.517   0.460   6.133
   49    HB   VAL   6           HB       VAL   6   6.304   1.457   7.455
   50   1HG1  VAL   6          1HG1      VAL   6   4.099   2.820   8.995
   51   2HG1  VAL   6          2HG1      VAL   6   5.806   2.811   9.440
   52   3HG1  VAL   6          3HG1      VAL   6   5.287   3.603   7.952
   53   1HG2  VAL   6          1HG2      VAL   6   5.320  -0.641   8.231
   54   2HG2  VAL   6          2HG2      VAL   6   5.872   0.343   9.586
   55   3HG2  VAL   6          3HG2      VAL   6   4.153   0.259   9.199
   56    H    VAL   7           H        VAL   7   2.880  -0.687   7.046
   57    HA   VAL   7           HA       VAL   7   0.431   0.789   7.631
   58    HB   VAL   7           HB       VAL   7   0.824  -2.195   7.358
   59   1HG1  VAL   7          1HG1      VAL   7  -1.671  -0.501   7.368
   60   2HG1  VAL   7          2HG1      VAL   7  -1.614  -2.233   7.039
   61   3HG1  VAL   7          3HG1      VAL   7  -1.160  -1.623   8.629
   62   1HG2  VAL   7          1HG2      VAL   7   1.400  -1.033   5.287
   63   2HG2  VAL   7          2HG2      VAL   7  -0.099  -1.946   5.111
   64   3HG2  VAL   7          3HG2      VAL   7  -0.152  -0.195   5.322
   65    H    THR   8           H        THR   8   0.060   1.349   9.664
   66    HA   THR   8           HA       THR   8   0.908  -0.484  11.813
   67    HB   THR   8           HB       THR   8   1.045   1.446  13.303
   68    HG1  THR   8           HG1      THR   8   0.799   3.247  11.171
   69   1HG2  THR   8          1HG2      THR   8   3.041   0.797  12.018
   70   2HG2  THR   8          2HG2      THR   8   2.571   1.917  10.738
   71   3HG2  THR   8          3HG2      THR   8   3.001   2.532  12.335
   72    H    ALA   9           H        ALA   9  -1.692   0.050  10.146
   73    HA   ALA   9           HA       ALA   9  -3.494   0.084  12.480
   74   1HB   ALA   9          1HB       ALA   9  -4.068   1.133   9.711
   75   2HB   ALA   9          2HB       ALA   9  -5.208   1.094  11.056
   76   3HB   ALA   9          3HB       ALA   9  -3.767   2.108  11.148
   77    H    ASP  10           H        ASP  10  -2.147  -1.880  10.303
   78    HA   ASP  10           HA       ASP  10  -2.555  -4.018   9.657
   79   1HB   ASP  10          1HB       ASP  10  -3.664  -4.321  11.837
   80   2HB   ASP  10          2HB       ASP  10  -5.176  -3.745  11.143
   81    H    TYR  11           H        TYR  11  -5.754  -2.425   9.557
   82    HA   TYR  11           HA       TYR  11  -7.213  -2.044   7.861
   83   1HB   TYR  11          1HB       TYR  11  -5.180  -0.931   6.862
   84   2HB   TYR  11          2HB       TYR  11  -4.872  -2.427   5.987
   85    HD1  TYR  11           HD1      TYR  11  -5.848  -2.765   3.897
   86    HD2  TYR  11           HD2      TYR  11  -7.482   0.183   6.490
   87    HE1  TYR  11           HE1      TYR  11  -7.341  -2.013   2.091
   88    HE2  TYR  11           HE2      TYR  11  -8.980   0.944   4.695
   89    HH   TYR  11           HH       TYR  11  -9.511  -0.825   1.871
   90    H    LEU  12           H        LEU  12  -8.144  -4.098   8.485
   91    HA   LEU  12           HA       LEU  12  -7.640  -6.277   6.577
   92   1HB   LEU  12          1HB       LEU  12  -7.364  -6.892   8.914
   93   2HB   LEU  12          2HB       LEU  12  -8.974  -6.307   9.284
   94    HG   LEU  12           HG       LEU  12  -9.890  -8.074   7.757
   95   1HD1  LEU  12          1HD1      LEU  12  -7.885  -8.436   6.414
   96   2HD1  LEU  12          2HD1      LEU  12  -7.050  -9.083   7.826
   97   3HD1  LEU  12          3HD1      LEU  12  -8.441  -9.937   7.155
   98   1HD2  LEU  12          1HD2      LEU  12  -9.856  -8.357  10.180
   99   2HD2  LEU  12          2HD2      LEU  12  -9.579  -9.892   9.357
  100   3HD2  LEU  12          3HD2      LEU  12  -8.227  -9.026  10.086
  101    HA   PRO  13           HA       PRO  13 -11.553  -4.821   4.792
  102   1HB   PRO  13          1HB       PRO  13 -11.044  -7.080   2.954
  103   2HB   PRO  13          2HB       PRO  13 -11.335  -5.377   2.588
  104   1HG   PRO  13          1HG       PRO  13  -8.905  -6.454   2.320
  105   2HG   PRO  13          2HG       PRO  13  -9.118  -4.793   2.905
  106   1HD   PRO  13          1HD       PRO  13  -8.517  -7.286   4.452
  107   2HD   PRO  13          2HD       PRO  13  -7.860  -5.649   4.655
  108    H    LEU  14           H        LEU  14 -13.648  -5.615   4.788
  109    HA   LEU  14           HA       LEU  14 -13.986  -8.278   6.000
  110   1HB   LEU  14          1HB       LEU  14 -15.802  -5.872   6.181
  111   2HB   LEU  14          2HB       LEU  14 -16.112  -7.434   6.913
  112    HG   LEU  14           HG       LEU  14 -13.817  -5.600   7.627
  113   1HD1  LEU  14          1HD1      LEU  14 -15.982  -4.713   8.329
  114   2HD1  LEU  14          2HD1      LEU  14 -16.352  -6.241   9.130
  115   3HD1  LEU  14          3HD1      LEU  14 -15.022  -5.239   9.712
  116   1HD2  LEU  14          1HD2      LEU  14 -14.728  -8.210   8.836
  117   2HD2  LEU  14          2HD2      LEU  14 -13.229  -7.931   7.951
  118   3HD2  LEU  14          3HD2      LEU  14 -13.491  -7.150   9.511
  119    H    GLY  15           H        GLY  15 -14.236  -9.528   4.198
  120   1HA   GLY  15          1HA       GLY  15 -16.686  -9.031   2.648
  121   2HA   GLY  15          2HA       GLY  15 -15.903 -10.592   2.847
  122    H    ALA  16           H        ALA  16 -16.700  -9.547   0.360
  123    HA   ALA  16           HA       ALA  16 -14.099  -9.460  -0.971
  124   1HB   ALA  16          1HB       ALA  16 -15.333 -10.014  -3.004
  125   2HB   ALA  16          2HB       ALA  16 -16.854  -9.896  -2.120
  126   3HB   ALA  16          3HB       ALA  16 -15.691 -11.157  -1.710
  127    H    GLU  17           H        GLU  17 -13.380  -7.387  -0.948
  128    HA   GLU  17           HA       GLU  17 -15.200  -5.239  -1.724
  129   1HB   GLU  17          1HB       GLU  17 -12.431  -5.279  -0.543
  130   2HB   GLU  17          2HB       GLU  17 -13.142  -3.803  -1.184
  131   1HG   GLU  17          1HG       GLU  17 -13.404  -3.970   1.236
  132   2HG   GLU  17          2HG       GLU  17 -14.958  -3.949   0.407
  133    H    GLN  18           H        GLN  18 -14.775  -3.822  -3.440
  134    HA   GLN  18           HA       GLN  18 -13.311  -5.060  -5.636
  135   1HB   GLN  18          1HB       GLN  18 -15.329  -2.835  -5.468
  136   2HB   GLN  18          2HB       GLN  18 -14.397  -3.118  -6.932
  137   1HG   GLN  18          1HG       GLN  18 -16.138  -5.177  -5.598
  138   2HG   GLN  18          2HG       GLN  18 -16.643  -4.158  -6.946
  139   1HE2  GLN  18          1HE2      GLN  18 -15.719  -4.481  -8.982
  140   2HE2  GLN  18          2HE2      GLN  18 -14.907  -5.950  -9.391
  141    H    ASP  19           H        ASP  19 -11.573  -4.180  -6.653
  142    HA   ASP  19           HA       ASP  19  -9.661  -2.977  -6.898
  143   1HB   ASP  19          1HB       ASP  19 -11.481  -0.720  -6.036
  144   2HB   ASP  19          2HB       ASP  19  -9.878  -0.504  -6.734
  145    H    ALA  20           H        ALA  20 -10.310  -4.177  -4.265
  146    HA   ALA  20           HA       ALA  20  -8.606  -2.462  -2.576
  147   1HB   ALA  20          1HB       ALA  20 -10.864  -2.655  -1.682
  148   2HB   ALA  20          2HB       ALA  20  -9.700  -3.457  -0.627
  149   3HB   ALA  20          3HB       ALA  20 -10.730  -4.413  -1.692
  150    H    ILE  21           H        ILE  21  -7.244  -3.626  -1.015
  151    HA   ILE  21           HA       ILE  21  -6.574  -6.372  -1.776
  152    HB   ILE  21           HB       ILE  21  -5.069  -4.983  -3.103
  153   1HG1  ILE  21          1HG1      ILE  21  -3.593  -6.225  -0.770
  154   2HG1  ILE  21          2HG1      ILE  21  -4.276  -7.137  -2.112
  155   1HG2  ILE  21          1HG2      ILE  21  -5.095  -2.976  -1.726
  156   2HG2  ILE  21          2HG2      ILE  21  -4.192  -3.815  -0.464
  157   3HG2  ILE  21          3HG2      ILE  21  -3.439  -3.502  -2.027
  158   1HD1  ILE  21          1HD1      ILE  21  -2.140  -5.031  -2.355
  159   2HD1  ILE  21          2HD1      ILE  21  -1.866  -6.773  -2.344
  160   3HD1  ILE  21          3HD1      ILE  21  -2.782  -6.034  -3.658
  161    H    THR  22           H        THR  22  -5.739  -7.609  -0.134
  162    HA   THR  22           HA       THR  22  -6.192  -6.671   2.532
  163    HB   THR  22           HB       THR  22  -6.667  -9.005   1.922
  164    HG1  THR  22           HG1      THR  22  -6.195  -9.547   3.916
  165   1HG2  THR  22          1HG2      THR  22  -3.671  -9.221   1.602
  166   2HG2  THR  22          2HG2      THR  22  -4.774 -10.595   1.674
  167   3HG2  THR  22          3HG2      THR  22  -4.887  -9.443   0.344
  168    H    LEU  23           H        LEU  23  -4.729  -6.222   4.135
  169    HA   LEU  23           HA       LEU  23  -1.876  -6.352   3.495
  170   1HB   LEU  23          1HB       LEU  23  -3.354  -3.877   4.381
  171   2HB   LEU  23          2HB       LEU  23  -1.611  -4.041   4.469
  172    HG   LEU  23           HG       LEU  23  -3.226  -4.177   1.922
  173   1HD1  LEU  23          1HD1      LEU  23  -1.518  -1.960   3.043
  174   2HD1  LEU  23          2HD1      LEU  23  -2.261  -1.979   1.444
  175   3HD1  LEU  23          3HD1      LEU  23  -3.275  -1.945   2.887
  176   1HD2  LEU  23          1HD2      LEU  23  -0.248  -4.088   2.392
  177   2HD2  LEU  23          2HD2      LEU  23  -1.169  -5.476   1.811
  178   3HD2  LEU  23          3HD2      LEU  23  -1.044  -4.022   0.821
  179    H    ARG  24           H        ARG  24  -0.494  -6.348   5.315
  180    HA   ARG  24           HA       ARG  24  -1.868  -6.970   7.845
  181   1HB   ARG  24          1HB       ARG  24   0.740  -8.050   6.766
  182   2HB   ARG  24          2HB       ARG  24   0.114  -8.383   8.375
  183   1HG   ARG  24          1HG       ARG  24  -1.817  -9.497   7.426
  184   2HG   ARG  24          2HG       ARG  24  -1.265  -9.103   5.797
  185   1HD   ARG  24          1HD       ARG  24  -0.729 -11.416   6.408
  186   2HD   ARG  24          2HD       ARG  24   0.723 -10.460   6.117
  187    HE   ARG  24           HE       ARG  24   0.109 -10.399   8.859
  188   1HH1  ARG  24          1HH1      ARG  24   1.253 -12.600   6.410
  189   2HH1  ARG  24          2HH1      ARG  24   2.170 -13.561   7.523
  190   1HH2  ARG  24          1HH2      ARG  24   1.313 -11.660  10.329
  191   2HH2  ARG  24          2HH2      ARG  24   2.202 -13.028   9.749
  192    H    GLU  25           H        GLU  25  -1.180  -6.019   9.708
  193    HA   GLU  25           HA       GLU  25   0.090  -3.534   9.586
  194   1HB   GLU  25          1HB       GLU  25  -1.414  -4.142  11.405
  195   2HB   GLU  25          2HB       GLU  25  -0.292  -5.378  11.950
  196   1HG   GLU  25          1HG       GLU  25   1.353  -3.653  12.482
  197   2HG   GLU  25          2HG       GLU  25   0.226  -2.413  11.935
  198    H    GLY  26           H        GLY  26   2.122  -3.305   8.869
  199   1HA   GLY  26          1HA       GLY  26   4.198  -5.008  10.105
  200   2HA   GLY  26          2HA       GLY  26   4.426  -3.294   9.794
  201    H    GLN  27           H        GLN  27   2.842  -3.857   7.179
  202    HA   GLN  27           HA       GLN  27   4.952  -5.209   5.681
  203   1HB   GLN  27          1HB       GLN  27   2.081  -5.023   5.493
  204   2HB   GLN  27          2HB       GLN  27   2.826  -4.534   3.984
  205   1HG   GLN  27          1HG       GLN  27   4.102  -6.654   3.979
  206   2HG   GLN  27          2HG       GLN  27   3.225  -7.136   5.431
  207   1HE2  GLN  27          1HE2      GLN  27   3.017  -6.558   2.011
  208   2HE2  GLN  27          2HE2      GLN  27   1.493  -7.334   1.766
  209    H    TYR  28           H        TYR  28   6.040  -4.236   4.004
  210    HA   TYR  28           HA       TYR  28   5.860  -1.308   3.908
  211   1HB   TYR  28          1HB       TYR  28   8.066  -3.035   2.787
  212   2HB   TYR  28          2HB       TYR  28   8.112  -1.306   3.098
  213    HD1  TYR  28           HD1      TYR  28   8.016  -0.519   5.516
  214    HD2  TYR  28           HD2      TYR  28   8.735  -4.570   4.434
  215    HE1  TYR  28           HE1      TYR  28   8.967  -0.940   7.744
  216    HE2  TYR  28           HE2      TYR  28   9.687  -5.002   6.659
  217    HH   TYR  28           HH       TYR  28  10.736  -3.729   8.491
  218    H    VAL  29           H        VAL  29   5.380  -0.227   2.053
  219    HA   VAL  29           HA       VAL  29   5.427  -1.552  -0.513
  220    HB   VAL  29           HB       VAL  29   3.326  -2.410   0.066
  221   1HG1  VAL  29          1HG1      VAL  29   2.644   0.299   1.204
  222   2HG1  VAL  29          2HG1      VAL  29   1.536  -1.070   1.099
  223   3HG1  VAL  29          3HG1      VAL  29   2.972  -1.173   2.117
  224   1HG2  VAL  29          1HG2      VAL  29   3.386  -1.181  -2.111
  225   2HG2  VAL  29          2HG2      VAL  29   1.777  -1.347  -1.412
  226   3HG2  VAL  29          3HG2      VAL  29   2.634   0.190  -1.296
  227    H    GLU  30           H        GLU  30   6.119  -0.084  -1.923
  228    HA   GLU  30           HA       GLU  30   5.914   2.737  -1.363
  229   1HB   GLU  30          1HB       GLU  30   7.275   3.034  -3.376
  230   2HB   GLU  30          2HB       GLU  30   7.987   1.835  -2.308
  231   1HG   GLU  30          1HG       GLU  30   6.239   1.053  -4.611
  232   2HG   GLU  30          2HG       GLU  30   7.965   1.347  -4.808
  233    H    VAL  31           H        VAL  31   4.976   4.291  -2.799
  234    HA   VAL  31           HA       VAL  31   2.533   3.298  -4.035
  235    HB   VAL  31           HB       VAL  31   2.445   5.233  -2.489
  236   1HG1  VAL  31          1HG1      VAL  31   4.558   6.287  -3.076
  237   2HG1  VAL  31          2HG1      VAL  31   3.939   6.665  -4.684
  238   3HG1  VAL  31          3HG1      VAL  31   3.222   7.424  -3.261
  239   1HG2  VAL  31          1HG2      VAL  31   0.688   4.883  -4.135
  240   2HG2  VAL  31          2HG2      VAL  31   0.968   6.605  -3.879
  241   3HG2  VAL  31          3HG2      VAL  31   1.598   5.813  -5.324
  242    H    LEU  32           H        LEU  32   1.952   3.620  -6.174
  243    HA   LEU  32           HA       LEU  32   4.190   3.970  -8.007
  244   1HB   LEU  32          1HB       LEU  32   1.347   3.154  -8.596
  245   2HB   LEU  32          2HB       LEU  32   2.696   3.090  -9.712
  246    HG   LEU  32           HG       LEU  32   2.367   1.411  -7.224
  247   1HD1  LEU  32          1HD1      LEU  32   2.179   0.753 -10.161
  248   2HD1  LEU  32          2HD1      LEU  32   2.188  -0.436  -8.859
  249   3HD1  LEU  32          3HD1      LEU  32   0.867   0.725  -8.982
  250   1HD2  LEU  32          1HD2      LEU  32   4.567   1.484  -9.287
  251   2HD2  LEU  32          2HD2      LEU  32   4.707   1.855  -7.568
  252   3HD2  LEU  32          3HD2      LEU  32   4.359   0.205  -8.090
  253    H    ASP  33           H        ASP  33   0.795   4.847  -8.505
  254    HA   ASP  33           HA       ASP  33   1.571   7.204  -9.958
  255   1HB   ASP  33          1HB       ASP  33  -0.287   5.821 -10.738
  256   2HB   ASP  33          2HB       ASP  33  -1.168   6.146  -9.249
  257    H    ALA  34           H        ALA  34  -0.978   6.943  -7.496
  258    HA   ALA  34           HA       ALA  34  -1.553   8.264  -5.732
  259   1HB   ALA  34          1HB       ALA  34   1.197   9.481  -5.891
  260   2HB   ALA  34          2HB       ALA  34   0.852   7.950  -5.092
  261   3HB   ALA  34          3HB       ALA  34   0.114   9.436  -4.500
  262    H    ALA  35           H        ALA  35  -3.070   9.691  -6.259
  263    HA   ALA  35           HA       ALA  35  -2.332  12.346  -7.093
  264   1HB   ALA  35          1HB       ALA  35  -4.026  10.674  -8.948
  265   2HB   ALA  35          2HB       ALA  35  -3.650  12.386  -9.138
  266   3HB   ALA  35          3HB       ALA  35  -2.364  11.184  -9.250
  267    H    HIS  36           H        HIS  36  -5.241  10.280  -7.267
  268    HA   HIS  36           HA       HIS  36  -7.021  12.264  -6.403
  269   1HB   HIS  36          1HB       HIS  36  -7.266   9.255  -6.244
  270   2HB   HIS  36          2HB       HIS  36  -8.594  10.385  -5.996
  271    HD1  HIS  36           HD1      HIS  36  -9.706  11.356  -8.055
  272    HD2  HIS  36           HD2      HIS  36  -6.334   9.094  -8.935
  273    HE1  HIS  36           HE1      HIS  36  -9.723  11.071 -10.554
  274    HE2  HIS  36           HE2      HIS  36  -7.632   9.764 -11.071
  275    HA   PRO  37           HA       PRO  37  -5.744  12.580  -2.095
  276   1HB   PRO  37          1HB       PRO  37  -8.476  13.792  -1.978
  277   2HB   PRO  37          2HB       PRO  37  -6.960  14.401  -1.323
  278   1HG   PRO  37          1HG       PRO  37  -7.904  15.473  -3.468
  279   2HG   PRO  37          2HG       PRO  37  -6.179  15.093  -3.392
  280   1HD   PRO  37          1HD       PRO  37  -8.375  13.615  -4.805
  281   2HD   PRO  37          2HD       PRO  37  -6.722  13.971  -5.356
  282    H    LEU  38           H        LEU  38  -8.781  11.254  -3.245
  283    HA   LEU  38           HA       LEU  38  -9.700  10.199  -0.793
  284   1HB   LEU  38          1HB       LEU  38 -10.243   9.360  -3.638
  285   2HB   LEU  38          2HB       LEU  38 -11.070   8.679  -2.252
  286    HG   LEU  38           HG       LEU  38 -11.740  11.123  -1.720
  287   1HD1  LEU  38          1HD1      LEU  38 -11.034  11.372  -4.640
  288   2HD1  LEU  38          2HD1      LEU  38 -11.924  12.561  -3.689
  289   3HD1  LEU  38          3HD1      LEU  38 -10.241  12.202  -3.303
  290   1HD2  LEU  38          1HD2      LEU  38 -13.295   9.376  -2.427
  291   2HD2  LEU  38          2HD2      LEU  38 -13.705  10.931  -3.150
  292   3HD2  LEU  38          3HD2      LEU  38 -12.894   9.697  -4.114
  293    H    ARG  39           H        ARG  39  -8.097   8.547  -3.524
  294    HA   ARG  39           HA       ARG  39  -6.773   6.775  -1.616
  295   1HB   ARG  39          1HB       ARG  39  -7.392   4.774  -2.929
  296   2HB   ARG  39          2HB       ARG  39  -8.787   5.556  -2.198
  297   1HG   ARG  39          1HG       ARG  39  -9.366   6.572  -4.319
  298   2HG   ARG  39          2HG       ARG  39  -7.927   5.877  -5.066
  299   1HD   ARG  39          1HD       ARG  39  -8.774   3.639  -4.679
  300   2HD   ARG  39          2HD       ARG  39 -10.180   4.292  -3.838
  301    HE   ARG  39           HE       ARG  39  -9.893   5.270  -6.523
  302   1HH1  ARG  39          1HH1      ARG  39 -11.139   2.687  -4.543
  303   2HH1  ARG  39          2HH1      ARG  39 -12.340   2.210  -5.697
  304   1HH2  ARG  39          1HH2      ARG  39 -11.471   4.650  -8.046
  305   2HH2  ARG  39          2HH2      ARG  39 -12.529   3.326  -7.687
  306    H    TRP  40           H        TRP  40  -4.841   5.888  -2.354
  307    HA   TRP  40           HA       TRP  40  -3.868   7.002  -4.899
  308   1HB   TRP  40          1HB       TRP  40  -2.375   6.344  -2.356
  309   2HB   TRP  40          2HB       TRP  40  -1.577   6.741  -3.874
  310    HD1  TRP  40           HD1      TRP  40  -3.935   9.094  -4.454
  311    HE1  TRP  40           HE1      TRP  40  -3.565  11.357  -3.285
  312    HE3  TRP  40           HE3      TRP  40  -0.682   7.599  -0.807
  313    HZ2  TRP  40           HZ2      TRP  40  -2.086  12.373  -1.106
  314    HZ3  TRP  40           HZ3      TRP  40   0.167   9.279   0.778
  315    HH2  TRP  40           HH2      TRP  40  -0.521  11.616   0.629
  316    H    LEU  41           H        LEU  41  -2.508   5.727  -6.207
  317    HA   LEU  41           HA       LEU  41  -3.181   2.918  -6.161
  318   1HB   LEU  41          1HB       LEU  41  -3.200   4.084  -8.280
  319   2HB   LEU  41          2HB       LEU  41  -1.533   4.588  -8.066
  320    HG   LEU  41           HG       LEU  41  -0.840   2.200  -8.194
  321   1HD1  LEU  41          1HD1      LEU  41  -3.737   1.762  -8.895
  322   2HD1  LEU  41          2HD1      LEU  41  -2.449   0.571  -9.080
  323   3HD1  LEU  41          3HD1      LEU  41  -2.893   1.147  -7.473
  324   1HD2  LEU  41          1HD2      LEU  41  -0.749   3.644 -10.159
  325   2HD2  LEU  41          2HD2      LEU  41  -1.154   1.987 -10.604
  326   3HD2  LEU  41          3HD2      LEU  41  -2.414   3.221 -10.556
  327    H    VAL  42           H        VAL  42  -2.101   1.859  -4.555
  328    HA   VAL  42           HA       VAL  42   0.817   2.175  -4.425
  329    HB   VAL  42           HB       VAL  42   0.719   1.095  -2.242
  330   1HG1  VAL  42          1HG1      VAL  42   0.441   3.520  -2.361
  331   2HG1  VAL  42          2HG1      VAL  42  -1.306   3.316  -2.496
  332   3HG1  VAL  42          3HG1      VAL  42  -0.474   2.836  -1.016
  333   1HG2  VAL  42          1HG2      VAL  42  -2.258   0.948  -2.706
  334   2HG2  VAL  42          2HG2      VAL  42  -1.144  -0.417  -2.630
  335   3HG2  VAL  42          3HG2      VAL  42  -1.436   0.564  -1.194
  336    H    ARG  43           H        ARG  43   2.161   0.304  -4.274
  337    HA   ARG  43           HA       ARG  43   0.978  -2.232  -5.127
  338   1HB   ARG  43          1HB       ARG  43   1.591  -1.231  -7.214
  339   2HB   ARG  43          2HB       ARG  43   3.158  -0.744  -6.588
  340   1HG   ARG  43          1HG       ARG  43   3.734  -3.163  -6.364
  341   2HG   ARG  43          2HG       ARG  43   2.224  -3.535  -7.200
  342   1HD   ARG  43          1HD       ARG  43   2.952  -2.302  -9.145
  343   2HD   ARG  43          2HD       ARG  43   4.415  -1.786  -8.309
  344    HE   ARG  43           HE       ARG  43   4.125  -4.638  -8.481
  345   1HH1  ARG  43          1HH1      ARG  43   5.272  -1.775 -10.099
  346   2HH1  ARG  43          2HH1      ARG  43   6.417  -2.629 -11.077
  347   1HH2  ARG  43          1HH2      ARG  43   5.632  -5.774  -9.764
  348   2HH2  ARG  43          2HH2      ARG  43   6.622  -4.902 -10.887
  349    H    THR  44           H        THR  44   1.603  -3.606  -3.592
  350    HA   THR  44           HA       THR  44   3.808  -3.232  -1.891
  351    HB   THR  44           HB       THR  44   3.430  -5.522  -1.127
  352    HG1  THR  44           HG1      THR  44   1.379  -6.386  -2.411
  353   1HG2  THR  44          1HG2      THR  44   1.938  -3.766  -0.309
  354   2HG2  THR  44          2HG2      THR  44   0.851  -4.046  -1.671
  355   3HG2  THR  44          3HG2      THR  44   1.082  -5.302  -0.453
  356    H    LYS  45           H        LYS  45   5.906  -3.576  -2.183
  357    HA   LYS  45           HA       LYS  45   6.935  -4.539  -4.637
  358   1HB   LYS  45          1HB       LYS  45   9.145  -4.537  -3.303
  359   2HB   LYS  45          2HB       LYS  45   8.324  -3.004  -3.564
  360   1HG   LYS  45          1HG       LYS  45   7.584  -2.887  -1.353
  361   2HG   LYS  45          2HG       LYS  45   7.894  -4.598  -1.064
  362   1HD   LYS  45          1HD       LYS  45  10.325  -4.139  -1.345
  363   2HD   LYS  45          2HD       LYS  45   9.943  -2.420  -1.462
  364   1HE   LYS  45          1HE       LYS  45   8.973  -2.476   0.775
  365   2HE   LYS  45          2HE       LYS  45   9.313  -4.203   0.890
  366   1HZ   LYS  45          1HZ       LYS  45  11.677  -3.700   0.704
  367   2HZ   LYS  45          2HZ       LYS  45  11.337  -2.045   0.630
  368   3HZ   LYS  45          3HZ       LYS  45  10.990  -2.919   2.037
  369    HA   PRO  46           HA       PRO  46   6.739  -8.908  -3.773
  370   1HB   PRO  46          1HB       PRO  46   8.400  -9.764  -5.756
  371   2HB   PRO  46          2HB       PRO  46   6.727  -9.270  -6.038
  372   1HG   PRO  46          1HG       PRO  46   9.254  -7.716  -6.439
  373   2HG   PRO  46          2HG       PRO  46   7.826  -7.820  -7.485
  374   1HD   PRO  46          1HD       PRO  46   8.261  -5.718  -5.848
  375   2HD   PRO  46          2HD       PRO  46   6.628  -6.313  -6.210
  376    H    THR  47           H        THR  47   8.323 -10.761  -3.501
  377    HA   THR  47           HA       THR  47  10.642  -9.788  -1.985
  378    HB   THR  47           HB       THR  47  10.638 -11.989  -0.883
  379    HG1  THR  47           HG1      THR  47   8.939 -12.575  -2.931
  380   1HG2  THR  47          1HG2      THR  47   7.941 -10.627  -0.872
  381   2HG2  THR  47          2HG2      THR  47   8.535 -11.734   0.365
  382   3HG2  THR  47          3HG2      THR  47   9.334 -10.182   0.114
  383    H    LYS  48           H        LYS  48  10.564 -10.104  -4.915
  384    HA   LYS  48           HA       LYS  48  11.897 -10.835  -6.601
  385   1HB   LYS  48          1HB       LYS  48  13.692 -11.525  -4.273
  386   2HB   LYS  48          2HB       LYS  48  14.187 -11.659  -5.955
  387   1HG   LYS  48          1HG       LYS  48  13.911  -9.290  -6.276
  388   2HG   LYS  48          2HG       LYS  48  13.255  -9.113  -4.647
  389   1HD   LYS  48          1HD       LYS  48  15.492  -8.428  -4.467
  390   2HD   LYS  48          2HD       LYS  48  15.474 -10.074  -3.832
  391   1HE   LYS  48          1HE       LYS  48  16.196  -9.394  -6.677
  392   2HE   LYS  48          2HE       LYS  48  17.382  -9.525  -5.380
  393   1HZ   LYS  48          1HZ       LYS  48  16.493 -11.831  -5.018
  394   2HZ   LYS  48          2HZ       LYS  48  15.649 -11.662  -6.474
  395   3HZ   LYS  48          3HZ       LYS  48  17.338 -11.596  -6.466
  396    H    SER  49           H        SER  49  10.027 -12.710  -5.066
  397    HA   SER  49           HA       SER  49  10.581 -15.024  -6.654
  398   1HB   SER  49          1HB       SER  49  10.789 -16.628  -4.795
  399   2HB   SER  49          2HB       SER  49  12.118 -15.470  -4.796
  400    HG   SER  49           HG       SER  49  11.516 -15.314  -2.764
  401    H    SER  50           H        SER  50   8.555 -12.984  -5.073
  402    HA   SER  50           HA       SER  50   6.305 -14.868  -5.307
  403   1HB   SER  50          1HB       SER  50   6.648 -12.730  -3.189
  404   2HB   SER  50          2HB       SER  50   5.221 -13.746  -3.395
  405    HG   SER  50           HG       SER  50   6.317 -15.467  -2.679
  406    HA   PRO  51           HA       PRO  51   4.708 -11.985  -8.264
  407   1HB   PRO  51          1HB       PRO  51   2.031 -12.587  -7.855
  408   2HB   PRO  51          2HB       PRO  51   3.122 -13.476  -8.925
  409   1HG   PRO  51          1HG       PRO  51   2.315 -14.097  -6.110
  410   2HG   PRO  51          2HG       PRO  51   2.491 -15.195  -7.494
  411   1HD   PRO  51          1HD       PRO  51   4.375 -15.057  -5.627
  412   2HD   PRO  51          2HD       PRO  51   4.819 -15.190  -7.343
  413    H    SER  52           H        SER  52   4.472  -9.868  -7.987
  414    HA   SER  52           HA       SER  52   3.801  -8.706  -5.491
  415   1HB   SER  52          1HB       SER  52   3.916  -6.556  -6.705
  416   2HB   SER  52          2HB       SER  52   5.302  -7.585  -7.065
  417    HG   SER  52           HG       SER  52   4.741  -7.225  -9.059
  418    H    ARG  53           H        ARG  53   2.025  -7.299  -5.013
  419    HA   ARG  53           HA       ARG  53  -0.399  -7.808  -6.604
  420   1HB   ARG  53          1HB       ARG  53  -0.164  -7.866  -3.595
  421   2HB   ARG  53          2HB       ARG  53  -1.683  -7.913  -4.481
  422   1HG   ARG  53          1HG       ARG  53  -0.734  -9.984  -5.638
  423   2HG   ARG  53          2HG       ARG  53   0.473  -9.988  -4.349
  424   1HD   ARG  53          1HD       ARG  53  -2.513 -10.054  -3.963
  425   2HD   ARG  53          2HD       ARG  53  -1.434 -11.443  -3.835
  426    HE   ARG  53           HE       ARG  53  -0.506  -9.480  -2.086
  427   1HH1  ARG  53          1HH1      ARG  53  -3.295 -11.532  -2.481
  428   2HH1  ARG  53          2HH1      ARG  53  -3.642 -11.604  -0.785
  429   1HH2  ARG  53          1HH2      ARG  53  -0.957  -9.571   0.148
  430   2HH2  ARG  53          2HH2      ARG  53  -2.315 -10.490   0.708
  431    H    GLN  54           H        GLN  54  -1.299  -5.981  -7.277
  432    HA   GLN  54           HA       GLN  54  -0.713  -3.502  -5.807
  433   1HB   GLN  54          1HB       GLN  54   0.111  -3.424  -8.064
  434   2HB   GLN  54          2HB       GLN  54  -1.430  -3.979  -8.701
  435   1HG   GLN  54          1HG       GLN  54  -1.391  -1.456  -7.141
  436   2HG   GLN  54          2HG       GLN  54  -0.718  -1.444  -8.770
  437   1HE2  GLN  54          1HE2      GLN  54  -2.077  -1.900 -10.527
  438   2HE2  GLN  54          2HE2      GLN  54  -3.795  -1.756 -10.402
  439    H    GLY  55           H        GLY  55  -2.306  -2.459  -4.810
  440   1HA   GLY  55          1HA       GLY  55  -4.734  -3.333  -4.150
  441   2HA   GLY  55          2HA       GLY  55  -5.050  -2.698  -5.757
  442    H    TRP  56           H        TRP  56  -6.454  -1.105  -4.962
  443    HA   TRP  56           HA       TRP  56  -5.109   1.288  -4.062
  444   1HB   TRP  56          1HB       TRP  56  -8.045   0.817  -4.629
  445   2HB   TRP  56          2HB       TRP  56  -7.276   2.382  -4.386
  446    HD1  TRP  56           HD1      TRP  56  -7.109  -0.578  -6.888
  447    HE1  TRP  56           HE1      TRP  56  -6.522   0.380  -9.204
  448    HE3  TRP  56           HE3      TRP  56  -6.442   4.321  -5.593
  449    HZ2  TRP  56           HZ2      TRP  56  -5.865   2.884 -10.332
  450    HZ3  TRP  56           HZ3      TRP  56  -5.838   5.934  -7.349
  451    HH2  TRP  56           HH2      TRP  56  -5.555   5.229  -9.669
  452    H    VAL  57           H        VAL  57  -5.028   2.033  -2.031
  453    HA   VAL  57           HA       VAL  57  -6.915   0.933  -0.057
  454    HB   VAL  57           HB       VAL  57  -5.116   0.845   1.618
  455   1HG1  VAL  57          1HG1      VAL  57  -5.708  -1.176   0.391
  456   2HG1  VAL  57          2HG1      VAL  57  -4.539  -0.768  -0.865
  457   3HG1  VAL  57          3HG1      VAL  57  -3.986  -1.150   0.765
  458   1HG2  VAL  57          1HG2      VAL  57  -3.323   1.516  -0.714
  459   2HG2  VAL  57          2HG2      VAL  57  -3.613   2.508   0.717
  460   3HG2  VAL  57          3HG2      VAL  57  -2.763   0.969   0.867
  461    H    SER  58           H        SER  58  -6.762   2.230   2.059
  462    HA   SER  58           HA       SER  58  -7.090   5.026   1.358
  463   1HB   SER  58          1HB       SER  58  -7.582   3.593   3.979
  464   2HB   SER  58          2HB       SER  58  -8.043   5.255   3.613
  465    HG   SER  58           HG       SER  58  -9.761   4.506   2.685
  466    HA   PRO  59           HA       PRO  59  -2.903   5.790   2.857
  467   1HB   PRO  59          1HB       PRO  59  -2.818   8.421   2.224
  468   2HB   PRO  59          2HB       PRO  59  -2.612   7.143   1.021
  469   1HG   PRO  59          1HG       PRO  59  -5.045   8.763   1.666
  470   2HG   PRO  59          2HG       PRO  59  -4.397   8.299   0.082
  471   1HD   PRO  59          1HD       PRO  59  -6.475   7.008   1.256
  472   2HD   PRO  59          2HD       PRO  59  -5.321   6.193   0.182
  473    H    ALA  60           H        ALA  60  -5.843   6.813   4.068
  474    HA   ALA  60           HA       ALA  60  -5.023   8.800   5.923
  475   1HB   ALA  60          1HB       ALA  60  -7.347   8.563   5.227
  476   2HB   ALA  60          2HB       ALA  60  -7.425   6.977   5.996
  477   3HB   ALA  60          3HB       ALA  60  -7.197   8.424   6.979
  478    H    TYR  61           H        TYR  61  -4.516   5.462   5.810
  479    HA   TYR  61           HA       TYR  61  -3.925   5.395   8.697
  480   1HB   TYR  61          1HB       TYR  61  -4.760   3.119   6.887
  481   2HB   TYR  61          2HB       TYR  61  -4.282   2.941   8.573
  482    HD1  TYR  61           HD1      TYR  61  -6.992   3.519   6.342
  483    HD2  TYR  61           HD2      TYR  61  -5.665   4.248  10.319
  484    HE1  TYR  61           HE1      TYR  61  -9.315   3.928   7.038
  485    HE2  TYR  61           HE2      TYR  61  -7.984   4.658  11.024
  486    HH   TYR  61           HH       TYR  61 -10.119   5.321  10.036
  487    H    LEU  62           H        LEU  62  -2.354   6.021   6.097
  488    HA   LEU  62           HA       LEU  62  -0.181   4.079   6.459
  489   1HB   LEU  62          1HB       LEU  62  -1.167   5.676   4.192
  490   2HB   LEU  62          2HB       LEU  62   0.578   5.597   4.331
  491    HG   LEU  62           HG       LEU  62   0.528   3.175   4.199
  492   1HD1  LEU  62          1HD1      LEU  62  -2.472   3.469   4.010
  493   2HD1  LEU  62          2HD1      LEU  62  -1.560   1.966   3.779
  494   3HD1  LEU  62          3HD1      LEU  62  -1.571   2.761   5.362
  495   1HD2  LEU  62          1HD2      LEU  62   0.607   4.432   2.112
  496   2HD2  LEU  62          2HD2      LEU  62  -0.288   2.927   1.910
  497   3HD2  LEU  62          3HD2      LEU  62  -1.155   4.456   2.050
  498    H    ASP  63           H        ASP  63   2.022   4.863   6.503
  499    HA   ASP  63           HA       ASP  63   2.285   7.608   7.532
  500   1HB   ASP  63          1HB       ASP  63   3.621   5.128   8.638
  501   2HB   ASP  63          2HB       ASP  63   3.966   6.776   9.154
  502    H    ARG  64           H        ARG  64   3.696   8.769   6.415
  503    HA   ARG  64           HA       ARG  64   5.223   7.709   4.298
  504   1HB   ARG  64          1HB       ARG  64   4.442  10.026   4.322
  505   2HB   ARG  64          2HB       ARG  64   5.474  10.375   5.702
  506   1HG   ARG  64          1HG       ARG  64   7.452   9.958   4.353
  507   2HG   ARG  64          2HG       ARG  64   6.435   9.553   2.969
  508   1HD   ARG  64          1HD       ARG  64   7.286  11.844   2.827
  509   2HD   ARG  64          2HD       ARG  64   5.527  11.808   2.949
  510    HE   ARG  64           HE       ARG  64   7.049  12.199   5.409
  511   1HH1  ARG  64          1HH1      ARG  64   5.069  13.545   2.876
  512   2HH1  ARG  64          2HH1      ARG  64   4.698  14.989   3.758
  513   1HH2  ARG  64          1HH2      ARG  64   6.567  14.100   6.575
  514   2HH2  ARG  64          2HH2      ARG  64   5.548  15.304   5.860
  515    H    ARG  65           H        ARG  65   7.024   6.568   4.399
  516    HA   ARG  65           HA       ARG  65   9.077   7.286   6.353
  517   1HB   ARG  65          1HB       ARG  65   7.686   5.401   7.274
  518   2HB   ARG  65          2HB       ARG  65   8.218   4.422   5.914
  519   1HG   ARG  65          1HG       ARG  65  10.492   4.523   6.645
  520   2HG   ARG  65          2HG       ARG  65  10.085   5.693   7.903
  521   1HD   ARG  65          1HD       ARG  65   9.193   2.818   7.739
  522   2HD   ARG  65          2HD       ARG  65  10.332   3.510   8.893
  523    HE   ARG  65           HE       ARG  65   7.606   4.561   8.852
  524   1HH1  ARG  65          1HH1      ARG  65  10.034   2.612  10.421
  525   2HH1  ARG  65          2HH1      ARG  65   9.196   2.561  11.936
  526   1HH2  ARG  65          1HH2      ARG  65   6.498   4.498  10.842
  527   2HH2  ARG  65          2HH2      ARG  65   7.186   3.630  12.174
  528    H    LEU  66           H        LEU  66  10.994   7.455   5.401
  529    HA   LEU  66           HA       LEU  66  11.348   6.200   2.766
  530   1HB   LEU  66          1HB       LEU  66  12.901   8.499   3.950
  531   2HB   LEU  66          2HB       LEU  66  12.988   7.909   2.301
  532    HG   LEU  66           HG       LEU  66  10.580   9.230   3.559
  533   1HD1  LEU  66          1HD1      LEU  66  12.425  10.784   3.195
  534   2HD1  LEU  66          2HD1      LEU  66  12.545  10.256   1.516
  535   3HD1  LEU  66          3HD1      LEU  66  11.098  11.095   2.076
  536   1HD2  LEU  66          1HD2      LEU  66  11.078   8.312   0.728
  537   2HD2  LEU  66          2HD2      LEU  66   9.939   7.601   1.871
  538   3HD2  LEU  66          3HD2      LEU  66   9.683   9.241   1.277
  539    H    LYS  67           H        LYS  67  12.736   4.588   2.560
  540    HA   LYS  67           HA       LYS  67  14.831   4.253   4.606
  541   1HB   LYS  67          1HB       LYS  67  13.305   2.121   3.098
  542   2HB   LYS  67          2HB       LYS  67  14.662   1.811   4.170
  543   1HG   LYS  67          1HG       LYS  67  12.121   3.154   5.050
  544   2HG   LYS  67          2HG       LYS  67  12.405   1.417   5.167
  545   1HD   LYS  67          1HD       LYS  67  14.359   3.351   6.354
  546   2HD   LYS  67          2HD       LYS  67  12.880   2.937   7.220
  547   1HE   LYS  67          1HE       LYS  67  14.694   1.511   7.950
  548   2HE   LYS  67          2HE       LYS  67  13.488   0.558   7.088
  549   1HZ   LYS  67          1HZ       LYS  67  16.035   1.553   5.926
  550   2HZ   LYS  67          2HZ       LYS  67  15.752  -0.030   6.448
  551   3HZ   LYS  67          3HZ       LYS  67  14.890   0.591   5.134
  552    H    LEU  68           H        LEU  68  13.987   4.258   1.239
  553    HA   LEU  68           HA       LEU  68  16.809   3.783   0.539
  554   1HB   LEU  68          1HB       LEU  68  14.301   3.277  -1.060
  555   2HB   LEU  68          2HB       LEU  68  15.914   3.201  -1.740
  556    HG   LEU  68           HG       LEU  68  16.384   1.434   0.081
  557   1HD1  LEU  68          1HD1      LEU  68  13.370   1.390   0.063
  558   2HD1  LEU  68          2HD1      LEU  68  14.413   0.174   0.802
  559   3HD1  LEU  68          3HD1      LEU  68  14.401   1.824   1.427
  560   1HD2  LEU  68          1HD2      LEU  68  16.244   0.937  -2.299
  561   2HD2  LEU  68          2HD2      LEU  68  15.493  -0.341  -1.343
  562   3HD2  LEU  68          3HD2      LEU  68  14.487   0.836  -2.185

  No H/Q in entry =         562
  Start of MODEL   12
    1    H1   ILE   1           H1       ILE   1  12.300   9.894  -5.290
    2    H2   ILE   1           H2       ILE   1  12.993   9.102  -3.966
    3    H3   ILE   1           H3       ILE   1  13.822   9.172  -5.440
    4    HA   ILE   1           HA       ILE   1  12.154   7.818  -6.500
    5    HB   ILE   1           HB       ILE   1  12.554   5.700  -5.285
    6   1HG1  ILE   1          1HG1      ILE   1  13.943   7.439  -3.233
    7   2HG1  ILE   1          2HG1      ILE   1  12.368   6.688  -2.993
    8   1HG2  ILE   1          1HG2      ILE   1  14.230   6.572  -6.819
    9   2HG2  ILE   1          2HG2      ILE   1  14.963   7.500  -5.511
   10   3HG2  ILE   1          3HG2      ILE   1  14.995   5.737  -5.467
   11   1HD1  ILE   1          1HD1      ILE   1  14.965   5.238  -3.458
   12   2HD1  ILE   1          2HD1      ILE   1  14.130   5.416  -1.915
   13   3HD1  ILE   1          3HD1      ILE   1  13.388   4.484  -3.215
   14    H    PHE   2           H        PHE   2  10.711   5.798  -5.502
   15    HA   PHE   2           HA       PHE   2   8.251   7.004  -4.841
   16   1HB   PHE   2          1HB       PHE   2   9.011   4.092  -4.541
   17   2HB   PHE   2          2HB       PHE   2   7.382   4.745  -4.683
   18    HD1  PHE   2           HD1      PHE   2  10.346   3.688  -6.450
   19    HD2  PHE   2           HD2      PHE   2   6.642   5.748  -6.830
   20    HE1  PHE   2           HE1      PHE   2  10.478   3.464  -8.897
   21    HE2  PHE   2           HE2      PHE   2   6.765   5.526  -9.277
   22    HZ   PHE   2           HZ       PHE   2   8.684   4.383 -10.313
   23    H    ASP   3           H        ASP   3   6.918   6.077  -2.906
   24    HA   ASP   3           HA       ASP   3   8.587   6.261  -0.486
   25   1HB   ASP   3          1HB       ASP   3   5.847   7.450  -0.950
   26   2HB   ASP   3          2HB       ASP   3   6.684   7.437   0.600
   27    H    ILE   4           H        ILE   4   8.607   4.347   0.477
   28    HA   ILE   4           HA       ILE   4   6.381   2.516   0.296
   29    HB   ILE   4           HB       ILE   4   8.908   2.213   1.919
   30   1HG1  ILE   4          1HG1      ILE   4   8.420   1.174  -0.874
   31   2HG1  ILE   4          2HG1      ILE   4   9.289   2.670  -0.545
   32   1HG2  ILE   4          1HG2      ILE   4   7.104   0.684   2.512
   33   2HG2  ILE   4          2HG2      ILE   4   6.968   0.181   0.827
   34   3HG2  ILE   4          3HG2      ILE   4   8.435  -0.176   1.739
   35   1HD1  ILE   4          1HD1      ILE   4  10.086  -0.069   0.411
   36   2HD1  ILE   4          2HD1      ILE   4  10.804   0.810  -0.940
   37   3HD1  ILE   4          3HD1      ILE   4  10.966   1.432   0.702
   38    H    TYR   5           H        TYR   5   4.690   2.753   1.604
   39    HA   TYR   5           HA       TYR   5   5.020   4.000   4.224
   40   1HB   TYR   5          1HB       TYR   5   2.499   3.176   2.768
   41   2HB   TYR   5          2HB       TYR   5   2.572   4.103   4.261
   42    HD1  TYR   5           HD1      TYR   5   3.100   6.447   4.241
   43    HD2  TYR   5           HD2      TYR   5   3.171   4.197   0.633
   44    HE1  TYR   5           HE1      TYR   5   3.184   8.537   2.948
   45    HE2  TYR   5           HE2      TYR   5   3.254   6.279  -0.669
   46    HH   TYR   5           HH       TYR   5   2.677   8.635  -0.419
   47    H    VAL   6           H        VAL   6   4.537   2.994   6.148
   48    HA   VAL   6           HA       VAL   6   4.404   0.069   6.021
   49    HB   VAL   6           HB       VAL   6   6.255   0.979   7.319
   50   1HG1  VAL   6          1HG1      VAL   6   5.265   3.101   7.976
   51   2HG1  VAL   6          2HG1      VAL   6   4.130   2.262   9.032
   52   3HG1  VAL   6          3HG1      VAL   6   5.857   2.227   9.389
   53   1HG2  VAL   6          1HG2      VAL   6   5.299  -1.150   8.014
   54   2HG2  VAL   6          2HG2      VAL   6   5.879  -0.242   9.410
   55   3HG2  VAL   6          3HG2      VAL   6   4.152  -0.309   9.057
   56    H    VAL   7           H        VAL   7   2.811  -1.109   6.998
   57    HA   VAL   7           HA       VAL   7   0.367   0.332   7.635
   58    HB   VAL   7           HB       VAL   7   0.828  -2.650   7.477
   59   1HG1  VAL   7          1HG1      VAL   7  -1.716  -1.029   7.481
   60   2HG1  VAL   7          2HG1      VAL   7  -1.612  -2.774   7.250
   61   3HG1  VAL   7          3HG1      VAL   7  -1.133  -2.059   8.789
   62   1HG2  VAL   7          1HG2      VAL   7   1.312  -1.585   5.342
   63   2HG2  VAL   7          2HG2      VAL   7  -0.193  -2.500   5.251
   64   3HG2  VAL   7          3HG2      VAL   7  -0.238  -0.743   5.395
   65    H    THR   8           H        THR   8   0.165   1.043   9.661
   66    HA   THR   8           HA       THR   8   1.017  -0.734  11.857
   67    HB   THR   8           HB       THR   8   1.300   1.255  13.252
   68    HG1  THR   8           HG1      THR   8  -0.028   2.793  12.467
   69   1HG2  THR   8          1HG2      THR   8   3.224   0.451  11.969
   70   2HG2  THR   8          2HG2      THR   8   2.758   1.482  10.616
   71   3HG2  THR   8          3HG2      THR   8   3.267   2.206  12.141
   72    H    ALA   9           H        ALA   9  -1.651  -0.005  10.275
   73    HA   ALA   9           HA       ALA   9  -3.307   0.110  12.711
   74   1HB   ALA   9          1HB       ALA   9  -3.959   1.286  10.012
   75   2HB   ALA   9          2HB       ALA   9  -3.479   2.190  11.448
   76   3HB   ALA   9          3HB       ALA   9  -5.007   1.308  11.432
   77    H    ASP  10           H        ASP  10  -2.223  -2.091  10.834
   78    HA   ASP  10           HA       ASP  10  -2.900  -4.157  10.180
   79   1HB   ASP  10          1HB       ASP  10  -4.155  -4.173  12.310
   80   2HB   ASP  10          2HB       ASP  10  -5.531  -3.440  11.491
   81    H    TYR  11           H        TYR  11  -6.004  -2.442   9.902
   82    HA   TYR  11           HA       TYR  11  -7.349  -1.979   8.137
   83   1HB   TYR  11          1HB       TYR  11  -5.330  -0.761   7.324
   84   2HB   TYR  11          2HB       TYR  11  -4.841  -2.216   6.462
   85    HD1  TYR  11           HD1      TYR  11  -7.469   0.389   6.663
   86    HD2  TYR  11           HD2      TYR  11  -5.744  -2.731   4.342
   87    HE1  TYR  11           HE1      TYR  11  -8.807   1.098   4.725
   88    HE2  TYR  11           HE2      TYR  11  -7.075  -2.031   2.397
   89    HH   TYR  11           HH       TYR  11  -9.146  -0.798   1.929
   90    H    LEU  12           H        LEU  12  -8.488  -3.916   8.372
   91    HA   LEU  12           HA       LEU  12  -7.810  -6.000   6.402
   92   1HB   LEU  12          1HB       LEU  12  -7.653  -6.764   8.735
   93   2HB   LEU  12          2HB       LEU  12  -9.320  -6.291   9.001
   94    HG   LEU  12           HG       LEU  12  -9.988  -7.962   7.245
   95   1HD1  LEU  12          1HD1      LEU  12  -7.809  -8.103   6.120
   96   2HD1  LEU  12          2HD1      LEU  12  -7.131  -8.877   7.553
   97   3HD1  LEU  12          3HD1      LEU  12  -8.398  -9.686   6.630
   98   1HD2  LEU  12          1HD2      LEU  12 -10.185  -8.440   9.630
   99   2HD2  LEU  12          2HD2      LEU  12  -9.742  -9.888   8.727
  100   3HD2  LEU  12          3HD2      LEU  12  -8.521  -9.022   9.658
  101    HA   PRO  13           HA       PRO  13 -11.594  -4.640   4.429
  102   1HB   PRO  13          1HB       PRO  13 -11.419  -7.194   2.965
  103   2HB   PRO  13          2HB       PRO  13 -11.431  -5.542   2.345
  104   1HG   PRO  13          1HG       PRO  13  -9.204  -7.026   2.317
  105   2HG   PRO  13          2HG       PRO  13  -9.152  -5.280   2.621
  106   1HD   PRO  13          1HD       PRO  13  -8.967  -7.549   4.568
  107   2HD   PRO  13          2HD       PRO  13  -8.047  -6.030   4.518
  108    H    LEU  14           H        LEU  14 -13.742  -5.026   4.693
  109    HA   LEU  14           HA       LEU  14 -14.487  -7.517   6.079
  110   1HB   LEU  14          1HB       LEU  14 -15.652  -4.746   6.334
  111   2HB   LEU  14          2HB       LEU  14 -16.389  -6.179   7.024
  112    HG   LEU  14           HG       LEU  14 -13.668  -5.089   7.748
  113   1HD1  LEU  14          1HD1      LEU  14 -16.273  -5.070   9.263
  114   2HD1  LEU  14          2HD1      LEU  14 -14.714  -4.534   9.888
  115   3HD1  LEU  14          3HD1      LEU  14 -15.471  -3.670   8.551
  116   1HD2  LEU  14          1HD2      LEU  14 -15.240  -7.410   8.861
  117   2HD2  LEU  14          2HD2      LEU  14 -13.724  -7.499   7.966
  118   3HD2  LEU  14          3HD2      LEU  14 -13.762  -6.754   9.563
  119    H    GLY  15           H        GLY  15 -15.137  -8.739   4.365
  120   1HA   GLY  15          1HA       GLY  15 -17.457  -7.699   2.865
  121   2HA   GLY  15          2HA       GLY  15 -17.233  -9.390   3.291
  122    H    ALA  16           H        ALA  16 -17.484  -7.753   0.692
  123    HA   ALA  16           HA       ALA  16 -15.152  -8.953  -0.654
  124   1HB   ALA  16          1HB       ALA  16 -16.564  -9.377  -2.587
  125   2HB   ALA  16          2HB       ALA  16 -17.942  -8.651  -1.761
  126   3HB   ALA  16          3HB       ALA  16 -17.238 -10.147  -1.151
  127    H    GLU  17           H        GLU  17 -13.852  -7.190  -0.854
  128    HA   GLU  17           HA       GLU  17 -14.977  -4.732  -1.982
  129   1HB   GLU  17          1HB       GLU  17 -12.342  -5.344  -0.651
  130   2HB   GLU  17          2HB       GLU  17 -12.665  -3.816  -1.456
  131   1HG   GLU  17          1HG       GLU  17 -12.992  -3.658   0.951
  132   2HG   GLU  17          2HG       GLU  17 -14.491  -3.366   0.072
  133    H    GLN  18           H        GLN  18 -14.346  -3.883  -3.922
  134    HA   GLN  18           HA       GLN  18 -12.878  -5.707  -5.684
  135   1HB   GLN  18          1HB       GLN  18 -14.617  -3.327  -6.361
  136   2HB   GLN  18          2HB       GLN  18 -13.859  -4.402  -7.528
  137   1HG   GLN  18          1HG       GLN  18 -15.173  -6.273  -6.619
  138   2HG   GLN  18          2HG       GLN  18 -15.971  -5.150  -5.520
  139   1HE2  GLN  18          1HE2      GLN  18 -15.633  -6.187  -8.817
  140   2HE2  GLN  18          2HE2      GLN  18 -17.021  -5.363  -9.434
  141    H    ASP  19           H        ASP  19 -11.162  -5.020  -6.964
  142    HA   ASP  19           HA       ASP  19  -9.227  -3.922  -7.421
  143   1HB   ASP  19          1HB       ASP  19 -10.933  -1.505  -6.791
  144   2HB   ASP  19          2HB       ASP  19  -9.348  -1.441  -7.556
  145    H    ALA  20           H        ALA  20 -10.049  -4.601  -4.550
  146    HA   ALA  20           HA       ALA  20  -8.164  -2.816  -3.161
  147   1HB   ALA  20          1HB       ALA  20 -10.430  -2.842  -2.229
  148   2HB   ALA  20          2HB       ALA  20 -10.305  -4.584  -1.983
  149   3HB   ALA  20          3HB       ALA  20  -9.250  -3.490  -1.089
  150    H    ILE  21           H        ILE  21  -6.625  -3.726  -1.720
  151    HA   ILE  21           HA       ILE  21  -6.056  -6.575  -2.201
  152    HB   ILE  21           HB       ILE  21  -4.448  -5.241  -3.445
  153   1HG1  ILE  21          1HG1      ILE  21  -3.152  -6.376  -0.957
  154   2HG1  ILE  21          2HG1      ILE  21  -3.728  -7.347  -2.309
  155   1HG2  ILE  21          1HG2      ILE  21  -4.588  -3.179  -2.162
  156   2HG2  ILE  21          2HG2      ILE  21  -3.780  -3.957  -0.800
  157   3HG2  ILE  21          3HG2      ILE  21  -2.911  -3.707  -2.314
  158   1HD1  ILE  21          1HD1      ILE  21  -2.134  -6.201  -3.782
  159   2HD1  ILE  21          2HD1      ILE  21  -1.539  -5.284  -2.397
  160   3HD1  ILE  21          3HD1      ILE  21  -1.341  -7.035  -2.446
  161    H    THR  22           H        THR  22  -5.655  -7.801  -0.458
  162    HA   THR  22           HA       THR  22  -6.254  -6.858   2.124
  163    HB   THR  22           HB       THR  22  -6.549  -9.212   1.490
  164    HG1  THR  22           HG1      THR  22  -5.930  -8.393   3.755
  165   1HG2  THR  22          1HG2      THR  22  -3.529  -9.298   1.502
  166   2HG2  THR  22          2HG2      THR  22  -4.585 -10.708   1.407
  167   3HG2  THR  22          3HG2      THR  22  -4.579  -9.523   0.102
  168    H    LEU  23           H        LEU  23  -4.946  -6.553   3.946
  169    HA   LEU  23           HA       LEU  23  -2.055  -6.424   3.531
  170   1HB   LEU  23          1HB       LEU  23  -3.771  -4.126   4.458
  171   2HB   LEU  23          2HB       LEU  23  -2.037  -4.187   4.706
  172    HG   LEU  23           HG       LEU  23  -3.394  -4.217   2.009
  173   1HD1  LEU  23          1HD1      LEU  23  -2.014  -2.005   3.521
  174   2HD1  LEU  23          2HD1      LEU  23  -2.450  -1.930   1.814
  175   3HD1  LEU  23          3HD1      LEU  23  -3.710  -2.071   3.041
  176   1HD2  LEU  23          1HD2      LEU  23  -1.246  -5.375   2.013
  177   2HD2  LEU  23          2HD2      LEU  23  -1.138  -3.848   1.137
  178   3HD2  LEU  23          3HD2      LEU  23  -0.485  -3.976   2.770
  179    H    ARG  24           H        ARG  24  -0.847  -6.208   5.542
  180    HA   ARG  24           HA       ARG  24  -2.344  -7.008   7.935
  181   1HB   ARG  24          1HB       ARG  24   0.189  -8.331   6.945
  182   2HB   ARG  24          2HB       ARG  24  -0.623  -8.685   8.464
  183   1HG   ARG  24          1HG       ARG  24  -2.567  -9.501   7.268
  184   2HG   ARG  24          2HG       ARG  24  -1.813  -9.088   5.728
  185   1HD   ARG  24          1HD       ARG  24   0.016 -10.668   6.244
  186   2HD   ARG  24          2HD       ARG  24  -0.826 -11.119   7.726
  187    HE   ARG  24           HE       ARG  24  -2.610 -11.469   5.625
  188   1HH1  ARG  24          1HH1      ARG  24   0.433 -12.792   6.694
  189   2HH1  ARG  24          2HH1      ARG  24   0.144 -14.352   6.000
  190   1HH2  ARG  24          1HH2      ARG  24  -2.996 -13.520   4.709
  191   2HH2  ARG  24          2HH2      ARG  24  -1.804 -14.766   4.872
  192    H    GLU  25           H        GLU  25  -1.579  -6.196   9.841
  193    HA   GLU  25           HA       GLU  25  -0.120  -3.842   9.846
  194   1HB   GLU  25          1HB       GLU  25  -1.598  -4.491  11.678
  195   2HB   GLU  25          2HB       GLU  25  -0.514  -5.806  12.111
  196   1HG   GLU  25          1HG       GLU  25   1.235  -4.171  12.643
  197   2HG   GLU  25          2HG       GLU  25   0.116  -2.866  12.250
  198    H    GLY  26           H        GLY  26   1.886  -3.703   9.040
  199   1HA   GLY  26          1HA       GLY  26   3.896  -5.619  10.054
  200   2HA   GLY  26          2HA       GLY  26   4.220  -3.898   9.914
  201    H    GLN  27           H        GLN  27   2.528  -4.074   7.318
  202    HA   GLN  27           HA       GLN  27   4.493  -5.392   5.604
  203   1HB   GLN  27          1HB       GLN  27   1.631  -4.973   5.545
  204   2HB   GLN  27          2HB       GLN  27   2.378  -4.440   4.055
  205   1HG   GLN  27          1HG       GLN  27   2.554  -7.168   5.301
  206   2HG   GLN  27          2HG       GLN  27   1.679  -6.726   3.838
  207   1HE2  GLN  27          1HE2      GLN  27   3.770  -5.020   2.797
  208   2HE2  GLN  27          2HE2      GLN  27   5.040  -6.060   2.267
  209    H    TYR  28           H        TYR  28   5.275  -4.311   3.712
  210    HA   TYR  28           HA       TYR  28   5.240  -1.369   3.906
  211   1HB   TYR  28          1HB       TYR  28   7.570  -2.932   2.810
  212   2HB   TYR  28          2HB       TYR  28   7.532  -1.262   3.358
  213    HD1  TYR  28           HD1      TYR  28   8.092  -4.690   4.292
  214    HD2  TYR  28           HD2      TYR  28   7.332  -0.796   5.827
  215    HE1  TYR  28           HE1      TYR  28   8.909  -5.407   6.496
  216    HE2  TYR  28           HE2      TYR  28   8.147  -1.502   8.037
  217    HH   TYR  28           HH       TYR  28   9.851  -4.390   8.532
  218    H    VAL  29           H        VAL  29   4.983  -0.225   1.993
  219    HA   VAL  29           HA       VAL  29   5.139  -1.573  -0.556
  220    HB   VAL  29           HB       VAL  29   2.963  -2.334  -0.016
  221   1HG1  VAL  29          1HG1      VAL  29   2.328   0.494   0.815
  222   2HG1  VAL  29          2HG1      VAL  29   1.159  -0.823   0.722
  223   3HG1  VAL  29          3HG1      VAL  29   2.491  -0.906   1.875
  224   1HG2  VAL  29          1HG2      VAL  29   3.240  -1.375  -2.282
  225   2HG2  VAL  29          2HG2      VAL  29   1.578  -1.307  -1.699
  226   3HG2  VAL  29          3HG2      VAL  29   2.578   0.145  -1.688
  227    H    GLU  30           H        GLU  30   5.968  -0.157  -1.934
  228    HA   GLU  30           HA       GLU  30   6.056   2.642  -1.423
  229   1HB   GLU  30          1HB       GLU  30   7.258   2.774  -3.551
  230   2HB   GLU  30          2HB       GLU  30   7.886   1.466  -2.558
  231   1HG   GLU  30          1HG       GLU  30   6.533  -0.130  -3.871
  232   2HG   GLU  30          2HG       GLU  30   6.022   1.203  -4.906
  233    H    VAL  31           H        VAL  31   5.199   4.325  -2.757
  234    HA   VAL  31           HA       VAL  31   2.579   3.636  -3.855
  235    HB   VAL  31           HB       VAL  31   2.682   5.442  -2.188
  236   1HG1  VAL  31          1HG1      VAL  31   4.369   6.855  -4.248
  237   2HG1  VAL  31          2HG1      VAL  31   3.682   7.612  -2.810
  238   3HG1  VAL  31          3HG1      VAL  31   4.879   6.327  -2.645
  239   1HG2  VAL  31          1HG2      VAL  31   0.897   5.449  -3.848
  240   2HG2  VAL  31          2HG2      VAL  31   1.372   7.098  -3.435
  241   3HG2  VAL  31          3HG2      VAL  31   1.911   6.378  -4.951
  242    H    LEU  32           H        LEU  32   1.941   4.096  -5.929
  243    HA   LEU  32           HA       LEU  32   4.103   4.654  -7.827
  244   1HB   LEU  32          1HB       LEU  32   1.357   3.466  -8.226
  245   2HB   LEU  32          2HB       LEU  32   2.481   3.803  -9.529
  246    HG   LEU  32           HG       LEU  32   2.976   1.866  -7.269
  247   1HD1  LEU  32          1HD1      LEU  32   1.219   1.127  -8.823
  248   2HD1  LEU  32          2HD1      LEU  32   2.340   1.342 -10.168
  249   3HD1  LEU  32          3HD1      LEU  32   2.670   0.131  -8.929
  250   1HD2  LEU  32          1HD2      LEU  32   5.017   2.920  -8.157
  251   2HD2  LEU  32          2HD2      LEU  32   4.934   1.200  -8.531
  252   3HD2  LEU  32          3HD2      LEU  32   4.566   2.391  -9.778
  253    H    ASP  33           H        ASP  33   0.611   5.233  -8.053
  254    HA   ASP  33           HA       ASP  33   1.202   8.030  -8.756
  255   1HB   ASP  33          1HB       ASP  33  -1.068   6.327  -9.800
  256   2HB   ASP  33          2HB       ASP  33  -0.710   7.986 -10.268
  257    H    ALA  34           H        ALA  34  -0.640   9.535  -8.375
  258    HA   ALA  34           HA       ALA  34  -1.698   9.082  -5.716
  259   1HB   ALA  34          1HB       ALA  34  -0.683  11.244  -6.308
  260   2HB   ALA  34          2HB       ALA  34  -1.962  11.505  -7.493
  261   3HB   ALA  34          3HB       ALA  34  -2.356  11.414  -5.777
  262    H    ALA  35           H        ALA  35  -3.387  10.781  -8.302
  263    HA   ALA  35           HA       ALA  35  -5.512  10.657  -9.091
  264   1HB   ALA  35          1HB       ALA  35  -5.194   7.707  -8.559
  265   2HB   ALA  35          2HB       ALA  35  -4.683   8.549 -10.022
  266   3HB   ALA  35          3HB       ALA  35  -6.395   8.455  -9.611
  267    H    HIS  36           H        HIS  36  -6.825  11.717  -7.734
  268    HA   HIS  36           HA       HIS  36  -8.440  12.095  -6.190
  269   1HB   HIS  36          1HB       HIS  36  -8.594   9.080  -6.009
  270   2HB   HIS  36          2HB       HIS  36  -9.791  10.212  -5.389
  271    HD1  HIS  36           HD1      HIS  36  -9.662   7.971  -7.945
  272    HD2  HIS  36           HD2      HIS  36 -10.342  12.070  -7.938
  273    HE1  HIS  36           HE1      HIS  36 -10.895   8.451 -10.082
  274    HE2  HIS  36           HE2      HIS  36 -11.204  10.951 -10.104
  275    HA   PRO  37           HA       PRO  37  -5.698  12.225  -2.608
  276   1HB   PRO  37          1HB       PRO  37  -8.116  13.603  -1.528
  277   2HB   PRO  37          2HB       PRO  37  -6.432  14.107  -1.480
  278   1HG   PRO  37          1HG       PRO  37  -8.048  15.267  -3.128
  279   2HG   PRO  37          2HG       PRO  37  -6.428  14.824  -3.676
  280   1HD   PRO  37          1HD       PRO  37  -9.045  13.466  -4.228
  281   2HD   PRO  37          2HD       PRO  37  -7.677  13.766  -5.324
  282    H    LEU  38           H        LEU  38  -8.982  11.040  -2.729
  283    HA   LEU  38           HA       LEU  38  -9.296  10.094  -0.128
  284   1HB   LEU  38          1HB       LEU  38 -10.361   9.086  -2.756
  285   2HB   LEU  38          2HB       LEU  38 -10.803   8.352  -1.228
  286    HG   LEU  38           HG       LEU  38 -11.625  10.645  -0.508
  287   1HD1  LEU  38          1HD1      LEU  38 -11.348  11.176  -3.462
  288   2HD1  LEU  38          2HD1      LEU  38 -12.204  12.201  -2.309
  289   3HD1  LEU  38          3HD1      LEU  38 -10.459  11.979  -2.167
  290   1HD2  LEU  38          1HD2      LEU  38 -13.130   8.837  -1.138
  291   2HD2  LEU  38          2HD2      LEU  38 -13.747  10.393  -1.694
  292   3HD2  LEU  38          3HD2      LEU  38 -12.979   9.290  -2.836
  293    H    ARG  39           H        ARG  39  -8.178   8.263  -2.979
  294    HA   ARG  39           HA       ARG  39  -6.510   6.644  -1.195
  295   1HB   ARG  39          1HB       ARG  39  -7.203   4.579  -2.270
  296   2HB   ARG  39          2HB       ARG  39  -8.602   5.395  -1.587
  297   1HG   ARG  39          1HG       ARG  39  -9.138   6.271  -3.836
  298   2HG   ARG  39          2HG       ARG  39  -7.792   5.334  -4.486
  299   1HD   ARG  39          1HD       ARG  39  -8.875   3.284  -3.547
  300   2HD   ARG  39          2HD       ARG  39 -10.269   4.278  -3.131
  301    HE   ARG  39           HE       ARG  39  -9.395   4.247  -5.916
  302   1HH1  ARG  39          1HH1      ARG  39 -11.692   3.244  -3.494
  303   2HH1  ARG  39          2HH1      ARG  39 -12.891   2.764  -4.648
  304   1HH2  ARG  39          1HH2      ARG  39 -10.966   3.617  -7.440
  305   2HH2  ARG  39          2HH2      ARG  39 -12.479   2.976  -6.890
  306    H    TRP  40           H        TRP  40  -4.567   6.029  -2.045
  307    HA   TRP  40           HA       TRP  40  -3.985   7.010  -4.757
  308   1HB   TRP  40          1HB       TRP  40  -2.129   6.651  -2.394
  309   2HB   TRP  40          2HB       TRP  40  -1.617   7.149  -4.004
  310    HD1  TRP  40           HD1      TRP  40  -4.311   9.137  -4.283
  311    HE1  TRP  40           HE1      TRP  40  -4.150  11.432  -3.131
  312    HE3  TRP  40           HE3      TRP  40  -0.515   8.140  -1.001
  313    HZ2  TRP  40           HZ2      TRP  40  -2.619  12.659  -1.106
  314    HZ3  TRP  40           HZ3      TRP  40   0.238   9.934   0.508
  315    HH2  TRP  40           HH2      TRP  40  -0.794  12.146   0.455
  316    H    LEU  41           H        LEU  41  -2.583   5.782  -6.103
  317    HA   LEU  41           HA       LEU  41  -3.018   2.945  -5.875
  318   1HB   LEU  41          1HB       LEU  41  -3.175   4.070  -8.040
  319   2HB   LEU  41          2HB       LEU  41  -1.497   4.567  -7.922
  320    HG   LEU  41           HG       LEU  41  -0.800   2.202  -8.023
  321   1HD1  LEU  41          1HD1      LEU  41  -3.739   1.664  -8.421
  322   2HD1  LEU  41          2HD1      LEU  41  -2.443   0.488  -8.641
  323   3HD1  LEU  41          3HD1      LEU  41  -2.758   1.165  -7.043
  324   1HD2  LEU  41          1HD2      LEU  41  -0.925   3.516 -10.072
  325   2HD2  LEU  41          2HD2      LEU  41  -1.350   1.832 -10.376
  326   3HD2  LEU  41          3HD2      LEU  41  -2.615   3.056 -10.275
  327    H    VAL  42           H        VAL  42  -1.637   1.437  -5.157
  328    HA   VAL  42           HA       VAL  42   1.213   2.062  -4.941
  329    HB   VAL  42           HB       VAL  42   1.353   1.251  -2.643
  330   1HG1  VAL  42          1HG1      VAL  42   1.045   3.656  -3.039
  331   2HG1  VAL  42          2HG1      VAL  42  -0.699   3.446  -2.905
  332   3HG1  VAL  42          3HG1      VAL  42   0.335   3.143  -1.509
  333   1HG2  VAL  42          1HG2      VAL  42  -1.658   1.095  -2.763
  334   2HG2  VAL  42          2HG2      VAL  42  -0.545  -0.268  -2.641
  335   3HG2  VAL  42          3HG2      VAL  42  -0.678   0.882  -1.312
  336    H    ARG  43           H        ARG  43   2.569   0.287  -5.042
  337    HA   ARG  43           HA       ARG  43   1.262  -2.323  -5.449
  338   1HB   ARG  43          1HB       ARG  43   2.982  -2.863  -7.112
  339   2HB   ARG  43          2HB       ARG  43   2.063  -1.443  -7.584
  340   1HG   ARG  43          1HG       ARG  43   3.851   0.011  -7.008
  341   2HG   ARG  43          2HG       ARG  43   4.740  -1.296  -6.225
  342   1HD   ARG  43          1HD       ARG  43   4.043  -1.267  -9.156
  343   2HD   ARG  43          2HD       ARG  43   5.568  -0.663  -8.507
  344    HE   ARG  43           HE       ARG  43   5.122  -3.294  -7.598
  345   1HH1  ARG  43          1HH1      ARG  43   5.945  -1.530 -10.488
  346   2HH1  ARG  43          2HH1      ARG  43   6.844  -2.837 -11.184
  347   1HH2  ARG  43          1HH2      ARG  43   6.306  -5.019  -8.507
  348   2HH2  ARG  43          2HH2      ARG  43   7.048  -4.820 -10.059
  349    H    THR  44           H        THR  44   1.896  -3.857  -4.085
  350    HA   THR  44           HA       THR  44   3.855  -3.382  -2.101
  351    HB   THR  44           HB       THR  44   3.493  -5.680  -1.389
  352    HG1  THR  44           HG1      THR  44   1.605  -6.488  -3.079
  353   1HG2  THR  44          1HG2      THR  44   1.809  -4.019  -0.774
  354   2HG2  THR  44          2HG2      THR  44   0.923  -4.356  -2.261
  355   3HG2  THR  44          3HG2      THR  44   1.072  -5.602  -1.021
  356    H    LYS  45           H        LYS  45   5.968  -3.817  -2.018
  357    HA   LYS  45           HA       LYS  45   7.402  -4.511  -4.345
  358   1HB   LYS  45          1HB       LYS  45   8.346  -4.516  -1.474
  359   2HB   LYS  45          2HB       LYS  45   9.376  -4.506  -2.899
  360   1HG   LYS  45          1HG       LYS  45   8.598  -2.318  -3.514
  361   2HG   LYS  45          2HG       LYS  45   7.415  -2.331  -2.206
  362   1HD   LYS  45          1HD       LYS  45   9.188  -1.030  -1.393
  363   2HD   LYS  45          2HD       LYS  45   9.408  -2.607  -0.635
  364   1HE   LYS  45          1HE       LYS  45  10.814  -1.801  -3.170
  365   2HE   LYS  45          2HE       LYS  45  11.488  -1.503  -1.569
  366   1HZ   LYS  45          1HZ       LYS  45  11.331  -3.917  -1.156
  367   2HZ   LYS  45          2HZ       LYS  45  10.834  -4.144  -2.757
  368   3HZ   LYS  45          3HZ       LYS  45  12.377  -3.533  -2.428
  369    HA   PRO  46           HA       PRO  46   6.817  -8.954  -3.817
  370   1HB   PRO  46          1HB       PRO  46   7.870  -9.710  -6.177
  371   2HB   PRO  46          2HB       PRO  46   6.262  -8.984  -6.056
  372   1HG   PRO  46          1HG       PRO  46   8.865  -7.711  -6.822
  373   2HG   PRO  46          2HG       PRO  46   7.269  -7.527  -7.572
  374   1HD   PRO  46          1HD       PRO  46   8.311  -5.713  -5.833
  375   2HD   PRO  46          2HD       PRO  46   6.568  -6.004  -5.998
  376    H    THR  47           H        THR  47   8.360 -10.890  -4.357
  377    HA   THR  47           HA       THR  47  11.106 -10.192  -3.554
  378    HB   THR  47           HB       THR  47  11.207 -12.193  -2.157
  379    HG1  THR  47           HG1      THR  47   9.545 -13.357  -3.359
  380   1HG2  THR  47          1HG2      THR  47  10.498 -10.094  -1.110
  381   2HG2  THR  47          2HG2      THR  47   8.817 -10.474  -1.481
  382   3HG2  THR  47          3HG2      THR  47   9.720 -11.480  -0.348
  383    H    LYS  48           H        LYS  48  12.041 -12.875  -3.564
  384    HA   LYS  48           HA       LYS  48  12.326 -13.240  -6.423
  385   1HB   LYS  48          1HB       LYS  48  13.607 -14.668  -4.088
  386   2HB   LYS  48          2HB       LYS  48  14.009 -14.950  -5.776
  387   1HG   LYS  48          1HG       LYS  48  14.797 -12.672  -6.003
  388   2HG   LYS  48          2HG       LYS  48  14.317 -12.320  -4.342
  389   1HD   LYS  48          1HD       LYS  48  16.326 -14.434  -5.101
  390   2HD   LYS  48          2HD       LYS  48  16.758 -12.784  -4.649
  391   1HE   LYS  48          1HE       LYS  48  15.677 -13.107  -2.473
  392   2HE   LYS  48          2HE       LYS  48  15.261 -14.760  -2.926
  393   1HZ   LYS  48          1HZ       LYS  48  18.023 -13.690  -2.688
  394   2HZ   LYS  48          2HZ       LYS  48  17.250 -14.669  -1.545
  395   3HZ   LYS  48          3HZ       LYS  48  17.605 -15.283  -3.080
  396    H    SER  49           H        SER  49   9.949 -14.111  -4.486
  397    HA   SER  49           HA       SER  49   9.224 -16.383  -6.100
  398   1HB   SER  49          1HB       SER  49   9.682 -16.738  -3.129
  399   2HB   SER  49          2HB       SER  49   8.865 -17.909  -4.164
  400    HG   SER  49           HG       SER  49  10.737 -18.352  -5.169
  401    H    SER  50           H        SER  50   8.358 -13.615  -4.928
  402    HA   SER  50           HA       SER  50   5.598 -14.449  -4.311
  403   1HB   SER  50          1HB       SER  50   7.071 -12.025  -3.253
  404   2HB   SER  50          2HB       SER  50   5.378 -12.407  -2.939
  405    HG   SER  50           HG       SER  50   6.687 -14.562  -2.301
  406    HA   PRO  51           HA       PRO  51   4.694 -12.284  -8.118
  407   1HB   PRO  51          1HB       PRO  51   1.970 -12.323  -7.808
  408   2HB   PRO  51          2HB       PRO  51   2.912 -13.689  -8.414
  409   1HG   PRO  51          1HG       PRO  51   1.903 -13.176  -5.639
  410   2HG   PRO  51          2HG       PRO  51   1.860 -14.678  -6.583
  411   1HD   PRO  51          1HD       PRO  51   3.702 -14.288  -4.693
  412   2HD   PRO  51          2HD       PRO  51   4.113 -15.112  -6.213
  413    H    SER  52           H        SER  52   4.227 -10.194  -8.673
  414    HA   SER  52           HA       SER  52   3.981  -8.299  -6.505
  415   1HB   SER  52          1HB       SER  52   4.326  -6.596  -8.253
  416   2HB   SER  52          2HB       SER  52   5.553  -7.859  -8.335
  417    HG   SER  52           HG       SER  52   3.217  -7.740  -9.944
  418    H    ARG  53           H        ARG  53   2.141  -7.473  -5.794
  419    HA   ARG  53           HA       ARG  53  -0.173  -7.382  -7.616
  420   1HB   ARG  53          1HB       ARG  53  -0.167  -8.067  -4.670
  421   2HB   ARG  53          2HB       ARG  53  -1.617  -7.796  -5.628
  422   1HG   ARG  53          1HG       ARG  53   0.382  -9.895  -6.385
  423   2HG   ARG  53          2HG       ARG  53  -0.884 -10.206  -5.197
  424   1HD   ARG  53          1HD       ARG  53  -1.692 -10.951  -7.311
  425   2HD   ARG  53          2HD       ARG  53  -2.553  -9.467  -6.909
  426    HE   ARG  53           HE       ARG  53  -0.250  -8.945  -8.495
  427   1HH1  ARG  53          1HH1      ARG  53  -3.543 -10.075  -8.654
  428   2HH1  ARG  53          2HH1      ARG  53  -3.761  -9.595 -10.304
  429   1HH2  ARG  53          1HH2      ARG  53  -0.530  -8.311 -10.664
  430   2HH2  ARG  53          2HH2      ARG  53  -2.050  -8.593 -11.446
  431    H    GLN  54           H        GLN  54  -1.194  -5.467  -7.758
  432    HA   GLN  54           HA       GLN  54  -0.457  -3.386  -5.808
  433   1HB   GLN  54          1HB       GLN  54  -0.785  -1.750  -7.673
  434   2HB   GLN  54          2HB       GLN  54   0.577  -2.839  -7.895
  435   1HG   GLN  54          1HG       GLN  54  -0.720  -4.188  -9.435
  436   2HG   GLN  54          2HG       GLN  54  -2.128  -3.159  -9.175
  437   1HE2  GLN  54          1HE2      GLN  54  -2.251  -2.620 -11.352
  438   2HE2  GLN  54          2HE2      GLN  54  -1.125  -1.545 -12.100
  439    H    GLY  55           H        GLY  55  -2.060  -2.315  -4.816
  440   1HA   GLY  55          1HA       GLY  55  -4.547  -3.099  -4.395
  441   2HA   GLY  55          2HA       GLY  55  -4.748  -2.335  -5.964
  442    H    TRP  56           H        TRP  56  -6.244  -0.900  -4.882
  443    HA   TRP  56           HA       TRP  56  -4.911   1.488  -3.951
  444   1HB   TRP  56          1HB       TRP  56  -7.872   0.963  -4.293
  445   2HB   TRP  56          2HB       TRP  56  -7.106   2.534  -4.083
  446    HD1  TRP  56           HD1      TRP  56  -7.402  -0.306  -6.673
  447    HE1  TRP  56           HE1      TRP  56  -6.920   0.674  -9.003
  448    HE3  TRP  56           HE3      TRP  56  -6.020   4.423  -5.299
  449    HZ2  TRP  56           HZ2      TRP  56  -6.070   3.127 -10.113
  450    HZ3  TRP  56           HZ3      TRP  56  -5.388   6.024  -7.057
  451    HH2  TRP  56           HH2      TRP  56  -5.412   5.387  -9.413
  452    H    VAL  57           H        VAL  57  -4.692   2.129  -1.905
  453    HA   VAL  57           HA       VAL  57  -6.350   0.834   0.154
  454    HB   VAL  57           HB       VAL  57  -4.452   0.741   1.667
  455   1HG1  VAL  57          1HG1      VAL  57  -3.912  -0.537  -1.009
  456   2HG1  VAL  57          2HG1      VAL  57  -3.109  -0.982   0.496
  457   3HG1  VAL  57          3HG1      VAL  57  -4.848  -1.216   0.322
  458   1HG2  VAL  57          1HG2      VAL  57  -2.841   1.822  -0.646
  459   2HG2  VAL  57          2HG2      VAL  57  -3.200   2.662   0.864
  460   3HG2  VAL  57          3HG2      VAL  57  -2.174   1.226   0.875
  461    H    SER  58           H        SER  58  -6.165   2.052   2.298
  462    HA   SER  58           HA       SER  58  -6.773   4.829   1.768
  463   1HB   SER  58          1HB       SER  58  -6.854   3.247   4.348
  464   2HB   SER  58          2HB       SER  58  -7.463   4.889   4.140
  465    HG   SER  58           HG       SER  58  -8.377   2.611   2.711
  466    HA   PRO  59           HA       PRO  59  -2.488   5.848   2.816
  467   1HB   PRO  59          1HB       PRO  59  -2.627   8.465   2.133
  468   2HB   PRO  59          2HB       PRO  59  -2.454   7.175   0.936
  469   1HG   PRO  59          1HG       PRO  59  -4.920   8.644   1.796
  470   2HG   PRO  59          2HG       PRO  59  -4.389   8.215   0.158
  471   1HD   PRO  59          1HD       PRO  59  -6.257   6.788   1.499
  472   2HD   PRO  59          2HD       PRO  59  -5.127   6.037   0.354
  473    H    ALA  60           H        ALA  60  -5.396   6.825   4.219
  474    HA   ALA  60           HA       ALA  60  -4.427   8.825   6.003
  475   1HB   ALA  60          1HB       ALA  60  -6.796   8.635   5.400
  476   2HB   ALA  60          2HB       ALA  60  -6.881   7.090   6.246
  477   3HB   ALA  60          3HB       ALA  60  -6.556   8.571   7.146
  478    H    TYR  61           H        TYR  61  -4.196   5.419   5.935
  479    HA   TYR  61           HA       TYR  61  -3.450   5.358   8.784
  480   1HB   TYR  61          1HB       TYR  61  -4.292   3.070   6.993
  481   2HB   TYR  61          2HB       TYR  61  -3.862   2.934   8.695
  482    HD1  TYR  61           HD1      TYR  61  -5.343   3.922  10.423
  483    HD2  TYR  61           HD2      TYR  61  -6.452   3.825   6.316
  484    HE1  TYR  61           HE1      TYR  61  -7.682   4.350  11.051
  485    HE2  TYR  61           HE2      TYR  61  -8.794   4.254   6.933
  486    HH   TYR  61           HH       TYR  61  -9.719   5.235  10.069
  487    H    LEU  62           H        LEU  62  -1.988   5.889   6.048
  488    HA   LEU  62           HA       LEU  62   0.218   3.990   6.426
  489   1HB   LEU  62          1HB       LEU  62  -0.807   5.565   4.129
  490   2HB   LEU  62          2HB       LEU  62   0.922   5.289   4.196
  491    HG   LEU  62           HG       LEU  62   0.603   2.895   4.150
  492   1HD1  LEU  62          1HD1      LEU  62  -2.344   3.536   4.236
  493   2HD1  LEU  62          2HD1      LEU  62  -1.674   1.940   3.855
  494   3HD1  LEU  62          3HD1      LEU  62  -1.401   2.659   5.453
  495   1HD2  LEU  62          1HD2      LEU  62  -1.076   4.291   2.069
  496   2HD2  LEU  62          2HD2      LEU  62   0.669   4.044   2.011
  497   3HD2  LEU  62          3HD2      LEU  62  -0.421   2.659   1.933
  498    H    ASP  63           H        ASP  63   2.324   4.677   6.748
  499    HA   ASP  63           HA       ASP  63   2.630   7.521   7.465
  500   1HB   ASP  63          1HB       ASP  63   2.721   5.960   9.405
  501   2HB   ASP  63          2HB       ASP  63   4.108   5.166   8.662
  502    H    ARG  64           H        ARG  64   3.930   8.598   6.153
  503    HA   ARG  64           HA       ARG  64   5.487   7.387   4.145
  504   1HB   ARG  64          1HB       ARG  64   4.586   9.670   3.974
  505   2HB   ARG  64          2HB       ARG  64   5.676  10.194   5.251
  506   1HG   ARG  64          1HG       ARG  64   7.595   9.682   3.844
  507   2HG   ARG  64          2HG       ARG  64   6.517   9.113   2.568
  508   1HD   ARG  64          1HD       ARG  64   5.519  11.353   2.433
  509   2HD   ARG  64          2HD       ARG  64   6.631  11.914   3.682
  510    HE   ARG  64           HE       ARG  64   8.371  11.061   1.912
  511   1HH1  ARG  64          1HH1      ARG  64   5.411  12.814   1.363
  512   2HH1  ARG  64          2HH1      ARG  64   5.990  13.600  -0.068
  513   1HH2  ARG  64          1HH2      ARG  64   9.145  12.093   0.028
  514   2HH2  ARG  64          2HH2      ARG  64   8.113  13.190  -0.826
  515    H    ARG  65           H        ARG  65   7.293   6.280   4.401
  516    HA   ARG  65           HA       ARG  65   9.326   7.293   6.256
  517   1HB   ARG  65          1HB       ARG  65   8.370   4.434   6.070
  518   2HB   ARG  65          2HB       ARG  65   9.850   4.918   6.885
  519   1HG   ARG  65          1HG       ARG  65   8.522   6.331   8.402
  520   2HG   ARG  65          2HG       ARG  65   7.051   5.758   7.612
  521   1HD   ARG  65          1HD       ARG  65   7.553   3.477   8.282
  522   2HD   ARG  65          2HD       ARG  65   9.070   4.006   9.010
  523    HE   ARG  65           HE       ARG  65   6.866   5.408  10.119
  524   1HH1  ARG  65          1HH1      ARG  65   8.487   2.323  10.183
  525   2HH1  ARG  65          2HH1      ARG  65   7.989   1.950  11.798
  526   1HH2  ARG  65          1HH2      ARG  65   6.207   4.925  12.246
  527   2HH2  ARG  65          2HH2      ARG  65   6.693   3.429  12.971
  528    H    LEU  66           H        LEU  66  11.282   7.418   5.382
  529    HA   LEU  66           HA       LEU  66  11.897   5.751   3.049
  530   1HB   LEU  66          1HB       LEU  66  12.878   7.568   1.855
  531   2HB   LEU  66          2HB       LEU  66  11.253   8.025   2.304
  532    HG   LEU  66           HG       LEU  66  12.488   9.969   2.618
  533   1HD1  LEU  66          1HD1      LEU  66  11.110   9.479   4.570
  534   2HD1  LEU  66          2HD1      LEU  66  12.483   8.683   5.338
  535   3HD1  LEU  66          3HD1      LEU  66  12.546  10.411   4.994
  536   1HD2  LEU  66          1HD2      LEU  66  14.703   8.914   2.360
  537   2HD2  LEU  66          2HD2      LEU  66  14.657  10.130   3.634
  538   3HD2  LEU  66          3HD2      LEU  66  14.636   8.418   4.050
  539    H    LYS  67           H        LYS  67  14.017   5.101   2.821
  540    HA   LYS  67           HA       LYS  67  15.663   5.466   5.224
  541   1HB   LYS  67          1HB       LYS  67  15.836   3.357   3.066
  542   2HB   LYS  67          2HB       LYS  67  16.834   3.425   4.512
  543   1HG   LYS  67          1HG       LYS  67  14.830   3.139   5.896
  544   2HG   LYS  67          2HG       LYS  67  13.849   3.035   4.432
  545   1HD   LYS  67          1HD       LYS  67  15.122   1.058   3.731
  546   2HD   LYS  67          2HD       LYS  67  16.081   1.159   5.209
  547   1HE   LYS  67          1HE       LYS  67  14.315  -0.511   5.420
  548   2HE   LYS  67          2HE       LYS  67  14.070   0.821   6.547
  549   1HZ   LYS  67          1HZ       LYS  67  12.689   0.536   3.933
  550   2HZ   LYS  67          2HZ       LYS  67  12.015   0.139   5.434
  551   3HZ   LYS  67          3HZ       LYS  67  12.414   1.745   5.083
  552    H    LEU  68           H        LEU  68  15.359   6.870   2.340
  553    HA   LEU  68           HA       LEU  68  18.016   6.841   1.326
  554   1HB   LEU  68          1HB       LEU  68  16.087   7.382  -0.078
  555   2HB   LEU  68          2HB       LEU  68  15.777   8.817   0.881
  556    HG   LEU  68           HG       LEU  68  17.981   9.725   0.153
  557   1HD1  LEU  68          1HD1      LEU  68  17.971   7.311  -1.652
  558   2HD1  LEU  68          2HD1      LEU  68  19.075   8.680  -1.784
  559   3HD1  LEU  68          3HD1      LEU  68  19.117   7.649  -0.354
  560   1HD2  LEU  68          1HD2      LEU  68  16.049   8.998  -2.046
  561   2HD2  LEU  68          2HD2      LEU  68  15.933  10.394  -0.973
  562   3HD2  LEU  68          3HD2      LEU  68  17.262  10.274  -2.125

  No H/Q in entry =         562
  Start of MODEL   13
    1    H1   ILE   1           H1       ILE   1   9.493   9.317  -8.164
    2    H2   ILE   1           H2       ILE   1   9.831  10.423  -6.929
    3    H3   ILE   1           H3       ILE   1  11.023  10.032  -8.063
    4    HA   ILE   1           HA       ILE   1  11.135   7.783  -7.267
    5    HB   ILE   1           HB       ILE   1  11.268   9.697  -4.933
    6   1HG1  ILE   1          1HG1      ILE   1  13.403   9.074  -6.987
    7   2HG1  ILE   1          2HG1      ILE   1  12.449  10.554  -6.954
    8   1HG2  ILE   1          1HG2      ILE   1  11.491   7.346  -4.323
    9   2HG2  ILE   1          2HG2      ILE   1  12.777   7.150  -5.515
   10   3HG2  ILE   1          3HG2      ILE   1  13.021   8.198  -4.119
   11   1HD1  ILE   1          1HD1      ILE   1  13.381  11.072  -4.739
   12   2HD1  ILE   1          2HD1      ILE   1  14.379   9.621  -4.843
   13   3HD1  ILE   1          3HD1      ILE   1  14.619  10.941  -5.988
   14    H    PHE   2           H        PHE   2  10.246   6.090  -6.181
   15    HA   PHE   2           HA       PHE   2   7.516   6.329  -5.361
   16   1HB   PHE   2          1HB       PHE   2   9.279   3.920  -4.924
   17   2HB   PHE   2          2HB       PHE   2   7.532   3.969  -5.131
   18    HD1  PHE   2           HD1      PHE   2   6.556   4.402  -7.348
   19    HD2  PHE   2           HD2      PHE   2  10.742   3.879  -6.796
   20    HE1  PHE   2           HE1      PHE   2   6.819   3.999  -9.761
   21    HE2  PHE   2           HE2      PHE   2  11.014   3.477  -9.207
   22    HZ   PHE   2           HZ       PHE   2   9.051   3.537 -10.694
   23    H    ASP   3           H        ASP   3   6.646   6.283  -3.335
   24    HA   ASP   3           HA       ASP   3   8.550   6.476  -1.093
   25   1HB   ASP   3          1HB       ASP   3   7.237   8.548  -1.638
   26   2HB   ASP   3          2HB       ASP   3   5.771   7.661  -1.229
   27    H    ILE   4           H        ILE   4   8.557   4.703   0.117
   28    HA   ILE   4           HA       ILE   4   6.297   2.911   0.189
   29    HB   ILE   4           HB       ILE   4   8.844   2.694   1.783
   30   1HG1  ILE   4          1HG1      ILE   4   8.300   1.503  -0.942
   31   2HG1  ILE   4          2HG1      ILE   4   9.248   2.966  -0.689
   32   1HG2  ILE   4          1HG2      ILE   4   7.023   1.243   2.498
   33   2HG2  ILE   4          2HG2      ILE   4   6.856   0.627   0.855
   34   3HG2  ILE   4          3HG2      ILE   4   8.328   0.305   1.771
   35   1HD1  ILE   4          1HD1      ILE   4  10.848   1.688   0.642
   36   2HD1  ILE   4          2HD1      ILE   4   9.901   0.226   0.373
   37   3HD1  ILE   4          3HD1      ILE   4  10.679   1.034  -0.987
   38    H    TYR   5           H        TYR   5   4.694   3.074   1.579
   39    HA   TYR   5           HA       TYR   5   5.037   4.620   4.040
   40   1HB   TYR   5          1HB       TYR   5   2.566   3.602   2.620
   41   2HB   TYR   5          2HB       TYR   5   2.532   4.456   4.158
   42    HD1  TYR   5           HD1      TYR   5   3.531   4.813   0.596
   43    HD2  TYR   5           HD2      TYR   5   2.529   6.801   4.222
   44    HE1  TYR   5           HE1      TYR   5   3.461   6.959  -0.605
   45    HE2  TYR   5           HE2      TYR   5   2.456   8.949   3.031
   46    HH   TYR   5           HH       TYR   5   3.312   9.969   1.016
   47    H    VAL   6           H        VAL   6   4.212   3.781   6.063
   48    HA   VAL   6           HA       VAL   6   4.420   0.848   6.204
   49    HB   VAL   6           HB       VAL   6   6.196   1.958   7.434
   50   1HG1  VAL   6          1HG1      VAL   6   5.099   4.092   7.855
   51   2HG1  VAL   6          2HG1      VAL   6   3.996   3.313   8.991
   52   3HG1  VAL   6          3HG1      VAL   6   5.720   3.400   9.355
   53   1HG2  VAL   6          1HG2      VAL   6   5.306  -0.130   8.337
   54   2HG2  VAL   6          2HG2      VAL   6   5.855   0.937   9.629
   55   3HG2  VAL   6          3HG2      VAL   6   4.131   0.776   9.292
   56    H    VAL   7           H        VAL   7   2.777  -0.316   6.995
   57    HA   VAL   7           HA       VAL   7   0.329   1.082   7.719
   58    HB   VAL   7           HB       VAL   7   0.767  -1.890   7.394
   59   1HG1  VAL   7          1HG1      VAL   7  -1.223  -1.290   8.686
   60   2HG1  VAL   7          2HG1      VAL   7  -1.760  -0.243   7.372
   61   3HG1  VAL   7          3HG1      VAL   7  -1.655  -1.985   7.124
   62   1HG2  VAL   7          1HG2      VAL   7  -0.198   0.137   5.378
   63   2HG2  VAL   7          2HG2      VAL   7   1.327  -0.746   5.326
   64   3HG2  VAL   7          3HG2      VAL   7  -0.199  -1.612   5.151
   65    H    THR   8           H        THR   8  -0.131   1.503   9.775
   66    HA   THR   8           HA       THR   8   0.801  -0.380  11.843
   67    HB   THR   8           HB       THR   8   1.084   1.506  13.390
   68    HG1  THR   8           HG1      THR   8   0.819   3.260  11.180
   69   1HG2  THR   8          1HG2      THR   8   2.621   1.840  10.812
   70   2HG2  THR   8          2HG2      THR   8   3.103   2.473  12.386
   71   3HG2  THR   8          3HG2      THR   8   3.023   0.731  12.123
   72    H    ALA   9           H        ALA   9  -1.796  -0.035  10.377
   73    HA   ALA   9           HA       ALA   9  -3.499   0.244  12.761
   74   1HB   ALA   9          1HB       ALA   9  -4.168   1.214   9.985
   75   2HB   ALA   9          2HB       ALA   9  -5.243   1.259  11.382
   76   3HB   ALA   9          3HB       ALA   9  -3.770   2.228  11.371
   77    H    ASP  10           H        ASP  10  -2.265  -2.010  11.070
   78    HA   ASP  10           HA       ASP  10  -2.809  -4.137  10.506
   79   1HB   ASP  10          1HB       ASP  10  -5.454  -3.481  11.819
   80   2HB   ASP  10          2HB       ASP  10  -4.910  -5.096  11.375
   81    H    TYR  11           H        TYR  11  -6.068  -2.776  10.161
   82    HA   TYR  11           HA       TYR  11  -7.458  -2.559   8.377
   83   1HB   TYR  11          1HB       TYR  11  -5.466  -1.136   7.600
   84   2HB   TYR  11          2HB       TYR  11  -5.027  -2.513   6.594
   85    HD1  TYR  11           HD1      TYR  11  -7.136   0.379   6.923
   86    HD2  TYR  11           HD2      TYR  11  -6.676  -3.303   4.842
   87    HE1  TYR  11           HE1      TYR  11  -8.677   1.177   5.183
   88    HE2  TYR  11           HE2      TYR  11  -8.216  -2.516   3.096
   89    HH   TYR  11           HH       TYR  11 -10.064  -0.851   2.883
   90    H    LEU  12           H        LEU  12  -8.268  -4.669   8.649
   91    HA   LEU  12           HA       LEU  12  -7.255  -6.621   6.691
   92   1HB   LEU  12          1HB       LEU  12  -8.587  -7.096   9.354
   93   2HB   LEU  12          2HB       LEU  12  -8.259  -8.360   8.184
   94    HG   LEU  12           HG       LEU  12  -6.137  -6.648   9.483
   95   1HD1  LEU  12          1HD1      LEU  12  -6.995  -9.473  10.096
   96   2HD1  LEU  12          2HD1      LEU  12  -5.600  -8.646  10.790
   97   3HD1  LEU  12          3HD1      LEU  12  -7.230  -8.064  11.131
   98   1HD2  LEU  12          1HD2      LEU  12  -5.963  -9.115   7.754
   99   2HD2  LEU  12          2HD2      LEU  12  -5.464  -7.483   7.310
  100   3HD2  LEU  12          3HD2      LEU  12  -4.605  -8.352   8.580
  101    HA   PRO  13           HA       PRO  13 -11.239  -5.857   4.733
  102   1HB   PRO  13          1HB       PRO  13 -10.481  -8.283   3.205
  103   2HB   PRO  13          2HB       PRO  13 -10.941  -6.682   2.619
  104   1HG   PRO  13          1HG       PRO  13  -8.405  -7.501   2.513
  105   2HG   PRO  13          2HG       PRO  13  -8.809  -5.819   2.907
  106   1HD   PRO  13          1HD       PRO  13  -7.975  -8.046   4.725
  107   2HD   PRO  13          2HD       PRO  13  -7.515  -6.330   4.758
  108    H    LEU  14           H        LEU  14 -13.226  -6.601   5.203
  109    HA   LEU  14           HA       LEU  14 -13.432  -9.283   6.393
  110   1HB   LEU  14          1HB       LEU  14 -15.469  -8.410   7.532
  111   2HB   LEU  14          2HB       LEU  14 -13.974  -7.643   8.025
  112    HG   LEU  14           HG       LEU  14 -15.678  -6.353   5.926
  113   1HD1  LEU  14          1HD1      LEU  14 -16.080  -6.134   8.905
  114   2HD1  LEU  14          2HD1      LEU  14 -16.851  -5.121   7.686
  115   3HD1  LEU  14          3HD1      LEU  14 -17.206  -6.847   7.751
  116   1HD2  LEU  14          1HD2      LEU  14 -13.808  -5.301   8.046
  117   2HD2  LEU  14          2HD2      LEU  14 -13.455  -5.449   6.326
  118   3HD2  LEU  14          3HD2      LEU  14 -14.689  -4.318   6.878
  119    H    GLY  15           H        GLY  15 -13.948 -10.542   4.672
  120   1HA   GLY  15          1HA       GLY  15 -16.503  -9.909   3.336
  121   2HA   GLY  15          2HA       GLY  15 -15.909 -11.535   3.630
  122    H    ALA  16           H        ALA  16 -16.368  -9.288   1.293
  123    HA   ALA  16           HA       ALA  16 -14.101 -10.258  -0.322
  124   1HB   ALA  16          1HB       ALA  16 -16.181 -11.435  -0.925
  125   2HB   ALA  16          2HB       ALA  16 -15.552 -10.453  -2.249
  126   3HB   ALA  16          3HB       ALA  16 -16.928  -9.884  -1.304
  127    H    GLU  17           H        GLU  17 -12.837  -8.549  -0.649
  128    HA   GLU  17           HA       GLU  17 -14.039  -5.913  -1.039
  129   1HB   GLU  17          1HB       GLU  17 -11.509  -5.254  -1.002
  130   2HB   GLU  17          2HB       GLU  17 -12.335  -5.656   0.496
  131   1HG   GLU  17          1HG       GLU  17 -10.211  -6.716   0.519
  132   2HG   GLU  17          2HG       GLU  17 -11.434  -7.965   0.300
  133    H    GLN  18           H        GLN  18 -13.717  -4.665  -2.862
  134    HA   GLN  18           HA       GLN  18 -12.672  -6.121  -5.200
  135   1HB   GLN  18          1HB       GLN  18 -14.177  -4.703  -6.557
  136   2HB   GLN  18          2HB       GLN  18 -15.047  -5.696  -5.397
  137   1HG   GLN  18          1HG       GLN  18 -15.229  -3.750  -3.904
  138   2HG   GLN  18          2HG       GLN  18 -14.415  -2.767  -5.120
  139   1HE2  GLN  18          1HE2      GLN  18 -16.686  -5.293  -5.911
  140   2HE2  GLN  18          2HE2      GLN  18 -17.940  -4.256  -6.490
  141    H    ASP  19           H        ASP  19 -11.182  -5.191  -6.503
  142    HA   ASP  19           HA       ASP  19  -9.466  -3.837  -7.121
  143   1HB   ASP  19          1HB       ASP  19 -11.420  -1.681  -6.292
  144   2HB   ASP  19          2HB       ASP  19  -9.959  -1.409  -7.236
  145    H    ALA  20           H        ALA  20  -9.868  -4.606  -4.180
  146    HA   ALA  20           HA       ALA  20  -8.074  -2.575  -3.019
  147   1HB   ALA  20          1HB       ALA  20 -10.204  -2.730  -1.852
  148   2HB   ALA  20          2HB       ALA  20  -9.959  -4.459  -1.607
  149   3HB   ALA  20          3HB       ALA  20  -8.888  -3.296  -0.824
  150    H    ILE  21           H        ILE  21  -6.613  -3.486  -1.278
  151    HA   ILE  21           HA       ILE  21  -5.706  -6.205  -1.911
  152    HB   ILE  21           HB       ILE  21  -4.237  -4.805  -3.187
  153   1HG1  ILE  21          1HG1      ILE  21  -2.782  -5.557  -0.644
  154   2HG1  ILE  21          2HG1      ILE  21  -3.261  -6.715  -1.881
  155   1HG2  ILE  21          1HG2      ILE  21  -3.805  -3.248  -0.643
  156   2HG2  ILE  21          2HG2      ILE  21  -2.891  -3.024  -2.135
  157   3HG2  ILE  21          3HG2      ILE  21  -4.620  -2.686  -2.102
  158   1HD1  ILE  21          1HD1      ILE  21  -1.369  -4.407  -2.262
  159   2HD1  ILE  21          2HD1      ILE  21  -0.925  -6.106  -2.099
  160   3HD1  ILE  21          3HD1      ILE  21  -1.847  -5.567  -3.502
  161    H    THR  22           H        THR  22  -5.248  -7.401  -0.174
  162    HA   THR  22           HA       THR  22  -5.849  -6.523   2.418
  163    HB   THR  22           HB       THR  22  -5.986  -8.881   1.801
  164    HG1  THR  22           HG1      THR  22  -3.976  -8.752   3.784
  165   1HG2  THR  22          1HG2      THR  22  -2.969  -8.764   1.684
  166   2HG2  THR  22          2HG2      THR  22  -3.935 -10.238   1.612
  167   3HG2  THR  22          3HG2      THR  22  -4.057  -9.041   0.325
  168    H    LEU  23           H        LEU  23  -4.564  -6.126   4.223
  169    HA   LEU  23           HA       LEU  23  -1.688  -5.800   3.840
  170   1HB   LEU  23          1HB       LEU  23  -3.542  -3.588   4.721
  171   2HB   LEU  23          2HB       LEU  23  -1.800  -3.534   4.911
  172    HG   LEU  23           HG       LEU  23  -3.235  -3.735   2.260
  173   1HD1  LEU  23          1HD1      LEU  23  -1.912  -1.374   3.589
  174   2HD1  LEU  23          2HD1      LEU  23  -2.558  -1.406   1.949
  175   3HD1  LEU  23          3HD1      LEU  23  -3.642  -1.585   3.327
  176   1HD2  LEU  23          1HD2      LEU  23  -0.329  -3.294   2.941
  177   2HD2  LEU  23          2HD2      LEU  23  -1.024  -4.740   2.209
  178   3HD2  LEU  23          3HD2      LEU  23  -1.025  -3.215   1.322
  179    H    ARG  24           H        ARG  24  -0.530  -5.484   5.885
  180    HA   ARG  24           HA       ARG  24  -2.062  -6.344   8.242
  181   1HB   ARG  24          1HB       ARG  24   0.645  -7.423   7.441
  182   2HB   ARG  24          2HB       ARG  24  -0.249  -7.851   8.891
  183   1HG   ARG  24          1HG       ARG  24  -2.039  -8.784   7.459
  184   2HG   ARG  24          2HG       ARG  24  -1.034  -8.448   6.048
  185   1HD   ARG  24          1HD       ARG  24  -0.394 -10.296   8.342
  186   2HD   ARG  24          2HD       ARG  24  -0.759 -10.756   6.679
  187    HE   ARG  24           HE       ARG  24   1.358  -9.439   6.144
  188   1HH1  ARG  24          1HH1      ARG  24   0.846 -11.160   9.130
  189   2HH1  ARG  24          2HH1      ARG  24   2.532 -11.447   9.404
  190   1HH2  ARG  24          1HH2      ARG  24   3.582  -9.811   6.498
  191   2HH2  ARG  24          2HH2      ARG  24   4.088 -10.680   7.909
  192    H    GLU  25           H        GLU  25  -1.149  -5.753  10.276
  193    HA   GLU  25           HA       GLU  25  -0.033  -3.167  10.330
  194   1HB   GLU  25          1HB       GLU  25  -1.428  -4.042  12.145
  195   2HB   GLU  25          2HB       GLU  25  -0.197  -5.235  12.530
  196   1HG   GLU  25          1HG       GLU  25   1.356  -3.431  13.112
  197   2HG   GLU  25          2HG       GLU  25   0.098  -2.249  12.754
  198    H    GLY  26           H        GLY  26   1.899  -3.079   9.217
  199   1HA   GLY  26          1HA       GLY  26   4.121  -4.661  10.351
  200   2HA   GLY  26          2HA       GLY  26   4.280  -2.939  10.039
  201    H    GLN  27           H        GLN  27   2.561  -3.394   7.549
  202    HA   GLN  27           HA       GLN  27   4.509  -4.770   5.863
  203   1HB   GLN  27          1HB       GLN  27   1.641  -4.454   5.883
  204   2HB   GLN  27          2HB       GLN  27   2.304  -3.966   4.338
  205   1HG   GLN  27          1HG       GLN  27   2.633  -6.620   5.705
  206   2HG   GLN  27          2HG       GLN  27   1.700  -6.284   4.250
  207   1HE2  GLN  27          1HE2      GLN  27   3.749  -4.518   3.133
  208   2HE2  GLN  27          2HE2      GLN  27   5.022  -5.547   2.590
  209    H    TYR  28           H        TYR  28   5.416  -3.793   4.054
  210    HA   TYR  28           HA       TYR  28   5.263  -0.850   4.014
  211   1HB   TYR  28          1HB       TYR  28   7.572  -2.541   3.043
  212   2HB   TYR  28          2HB       TYR  28   7.549  -0.799   3.289
  213    HD1  TYR  28           HD1      TYR  28   7.991  -4.038   4.849
  214    HD2  TYR  28           HD2      TYR  28   7.513   0.123   5.596
  215    HE1  TYR  28           HE1      TYR  28   8.831  -4.358   7.139
  216    HE2  TYR  28           HE2      TYR  28   8.352  -0.186   7.887
  217    HH   TYR  28           HH       TYR  28   9.851  -3.078   8.922
  218    H    VAL  29           H        VAL  29   4.923   0.192   2.076
  219    HA   VAL  29           HA       VAL  29   5.046  -1.237  -0.425
  220    HB   VAL  29           HB       VAL  29   2.907  -2.048   0.238
  221   1HG1  VAL  29          1HG1      VAL  29   2.435  -0.451   2.017
  222   2HG1  VAL  29          2HG1      VAL  29   2.141   0.811   0.821
  223   3HG1  VAL  29          3HG1      VAL  29   1.067  -0.585   0.913
  224   1HG2  VAL  29          1HG2      VAL  29   3.131  -1.270  -2.094
  225   2HG2  VAL  29          2HG2      VAL  29   1.473  -1.188  -1.503
  226   3HG2  VAL  29          3HG2      VAL  29   2.443   0.281  -1.619
  227    H    GLU  30           H        GLU  30   5.752   0.146  -1.897
  228    HA   GLU  30           HA       GLU  30   5.768   2.969  -1.456
  229   1HB   GLU  30          1HB       GLU  30   6.901   3.052  -3.659
  230   2HB   GLU  30          2HB       GLU  30   7.659   1.935  -2.537
  231   1HG   GLU  30          1HG       GLU  30   6.450   0.080  -3.651
  232   2HG   GLU  30          2HG       GLU  30   5.854   1.239  -4.838
  233    H    VAL  31           H        VAL  31   4.875   4.576  -2.837
  234    HA   VAL  31           HA       VAL  31   2.234   3.855  -3.820
  235    HB   VAL  31           HB       VAL  31   2.494   5.795  -2.311
  236   1HG1  VAL  31          1HG1      VAL  31   4.040   6.966  -4.617
  237   2HG1  VAL  31          2HG1      VAL  31   3.434   7.893  -3.245
  238   3HG1  VAL  31          3HG1      VAL  31   4.637   6.630  -2.993
  239   1HG2  VAL  31          1HG2      VAL  31   0.586   5.663  -3.823
  240   2HG2  VAL  31          2HG2      VAL  31   1.092   7.336  -3.591
  241   3HG2  VAL  31          3HG2      VAL  31   1.513   6.486  -5.078
  242    H    LEU  32           H        LEU  32   1.486   4.227  -5.888
  243    HA   LEU  32           HA       LEU  32   3.575   4.545  -7.928
  244   1HB   LEU  32          1HB       LEU  32   0.845   3.273  -8.051
  245   2HB   LEU  32          2HB       LEU  32   1.867   3.511  -9.454
  246    HG   LEU  32           HG       LEU  32   2.588   1.818  -7.060
  247   1HD1  LEU  32          1HD1      LEU  32   1.637   1.045  -9.815
  248   2HD1  LEU  32          2HD1      LEU  32   2.238  -0.073  -8.592
  249   3HD1  LEU  32          3HD1      LEU  32   0.755   0.835  -8.303
  250   1HD2  LEU  32          1HD2      LEU  32   3.952   2.209  -9.724
  251   2HD2  LEU  32          2HD2      LEU  32   4.549   2.746  -8.153
  252   3HD2  LEU  32          3HD2      LEU  32   4.415   1.023  -8.504
  253    H    ASP  33           H        ASP  33   0.085   4.993  -8.240
  254    HA   ASP  33           HA       ASP  33   0.404   7.291  -9.883
  255   1HB   ASP  33          1HB       ASP  33  -1.464   5.724 -10.162
  256   2HB   ASP  33          2HB       ASP  33  -2.085   6.176  -8.577
  257    H    ALA  34           H        ALA  34  -1.718   7.195  -7.044
  258    HA   ALA  34           HA       ALA  34  -2.134   8.695  -5.387
  259   1HB   ALA  34          1HB       ALA  34   0.014   8.412  -4.526
  260   2HB   ALA  34          2HB       ALA  34  -0.152  10.158  -4.685
  261   3HB   ALA  34          3HB       ALA  34   0.774   9.248  -5.879
  262    H    ALA  35           H        ALA  35  -2.329   9.399  -8.357
  263    HA   ALA  35           HA       ALA  35  -2.013  12.259  -8.430
  264   1HB   ALA  35          1HB       ALA  35  -3.409  10.425 -10.377
  265   2HB   ALA  35          2HB       ALA  35  -1.710  10.893 -10.444
  266   3HB   ALA  35          3HB       ALA  35  -2.968  12.109 -10.663
  267    H    HIS  36           H        HIS  36  -4.398  10.102  -7.334
  268    HA   HIS  36           HA       HIS  36  -6.560  12.042  -7.614
  269   1HB   HIS  36          1HB       HIS  36  -6.520   9.182  -6.644
  270   2HB   HIS  36          2HB       HIS  36  -7.961  10.195  -6.626
  271    HD1  HIS  36           HD1      HIS  36  -6.298   7.775  -8.656
  272    HD2  HIS  36           HD2      HIS  36  -8.531  11.199  -9.406
  273    HE1  HIS  36           HE1      HIS  36  -7.054   7.574 -11.047
  274    HE2  HIS  36           HE2      HIS  36  -8.468   9.620 -11.455
  275    HA   PRO  37           HA       PRO  37  -5.543  13.751  -3.580
  276   1HB   PRO  37          1HB       PRO  37  -8.388  14.627  -3.844
  277   2HB   PRO  37          2HB       PRO  37  -6.970  15.568  -3.402
  278   1HG   PRO  37          1HG       PRO  37  -7.959  15.826  -5.773
  279   2HG   PRO  37          2HG       PRO  37  -6.206  15.716  -5.579
  280   1HD   PRO  37          1HD       PRO  37  -8.139  13.623  -6.512
  281   2HD   PRO  37          2HD       PRO  37  -6.509  13.996  -7.111
  282    H    LEU  38           H        LEU  38  -8.326  11.742  -4.297
  283    HA   LEU  38           HA       LEU  38  -9.033  11.371  -1.530
  284   1HB   LEU  38          1HB       LEU  38  -9.954   9.961  -4.033
  285   2HB   LEU  38          2HB       LEU  38 -10.602   9.654  -2.433
  286    HG   LEU  38           HG       LEU  38 -10.737  12.311  -3.861
  287   1HD1  LEU  38          1HD1      LEU  38 -12.855  10.206  -3.440
  288   2HD1  LEU  38          2HD1      LEU  38 -13.122  11.812  -4.121
  289   3HD1  LEU  38          3HD1      LEU  38 -12.112  10.646  -4.978
  290   1HD2  LEU  38          1HD2      LEU  38 -10.706  12.507  -1.422
  291   2HD2  LEU  38          2HD2      LEU  38 -12.285  12.928  -2.083
  292   3HD2  LEU  38          3HD2      LEU  38 -12.042  11.360  -1.313
  293    H    ARG  39           H        ARG  39  -8.679   8.633  -3.713
  294    HA   ARG  39           HA       ARG  39  -7.007   7.335  -1.689
  295   1HB   ARG  39          1HB       ARG  39  -9.078   6.184  -2.343
  296   2HB   ARG  39          2HB       ARG  39  -8.531   6.141  -4.008
  297   1HG   ARG  39          1HG       ARG  39  -7.414   4.283  -3.656
  298   2HG   ARG  39          2HG       ARG  39  -6.546   4.996  -2.297
  299   1HD   ARG  39          1HD       ARG  39  -7.871   2.970  -1.720
  300   2HD   ARG  39          2HD       ARG  39  -8.299   4.397  -0.783
  301    HE   ARG  39           HE       ARG  39  -9.982   4.248  -3.019
  302   1HH1  ARG  39          1HH1      ARG  39  -9.362   2.558  -0.035
  303   2HH1  ARG  39          2HH1      ARG  39 -10.983   1.969   0.119
  304   1HH2  ARG  39          1HH2      ARG  39 -12.118   3.475  -2.825
  305   2HH2  ARG  39          2HH2      ARG  39 -12.550   2.490  -1.468
  306    H    TRP  40           H        TRP  40  -5.091   6.267  -2.214
  307    HA   TRP  40           HA       TRP  40  -3.872   7.123  -4.756
  308   1HB   TRP  40          1HB       TRP  40  -2.557   6.541  -2.094
  309   2HB   TRP  40          2HB       TRP  40  -1.692   6.932  -3.575
  310    HD1  TRP  40           HD1      TRP  40  -4.238   9.233  -4.082
  311    HE1  TRP  40           HE1      TRP  40  -3.830  11.519  -2.974
  312    HE3  TRP  40           HE3      TRP  40  -0.628   7.878  -0.723
  313    HZ2  TRP  40           HZ2      TRP  40  -2.197  12.606  -0.948
  314    HZ3  TRP  40           HZ3      TRP  40   0.306   9.604   0.761
  315    HH2  TRP  40           HH2      TRP  40  -0.462  11.918   0.650
  316    H    LEU  41           H        LEU  41  -2.861   5.642  -6.037
  317    HA   LEU  41           HA       LEU  41  -3.429   2.854  -5.515
  318   1HB   LEU  41          1HB       LEU  41  -3.766   3.715  -7.758
  319   2HB   LEU  41          2HB       LEU  41  -2.098   4.247  -7.842
  320    HG   LEU  41           HG       LEU  41  -1.350   1.900  -7.780
  321   1HD1  LEU  41          1HD1      LEU  41  -4.298   1.270  -7.858
  322   2HD1  LEU  41          2HD1      LEU  41  -2.992   0.102  -8.064
  323   3HD1  LEU  41          3HD1      LEU  41  -3.194   0.938  -6.524
  324   1HD2  LEU  41          1HD2      LEU  41  -3.386   2.505  -9.923
  325   2HD2  LEU  41          2HD2      LEU  41  -1.692   2.998  -9.925
  326   3HD2  LEU  41          3HD2      LEU  41  -2.113   1.288 -10.024
  327    H    VAL  42           H        VAL  42  -1.968   1.284  -4.977
  328    HA   VAL  42           HA       VAL  42   0.876   1.973  -4.913
  329    HB   VAL  42           HB       VAL  42   1.157   1.170  -2.633
  330   1HG1  VAL  42          1HG1      VAL  42  -0.963   3.305  -2.833
  331   2HG1  VAL  42          2HG1      VAL  42   0.067   3.007  -1.432
  332   3HG1  VAL  42          3HG1      VAL  42   0.780   3.551  -2.950
  333   1HG2  VAL  42          1HG2      VAL  42  -1.846   0.897  -2.600
  334   2HG2  VAL  42          2HG2      VAL  42  -0.676  -0.421  -2.544
  335   3HG2  VAL  42          3HG2      VAL  42  -0.787   0.718  -1.202
  336    H    ARG  43           H        ARG  43   2.284   0.124  -4.602
  337    HA   ARG  43           HA       ARG  43   1.041  -2.489  -5.066
  338   1HB   ARG  43          1HB       ARG  43   2.596  -3.039  -6.838
  339   2HB   ARG  43          2HB       ARG  43   1.718  -1.581  -7.270
  340   1HG   ARG  43          1HG       ARG  43   3.609  -0.210  -6.764
  341   2HG   ARG  43          2HG       ARG  43   4.484  -1.585  -6.086
  342   1HD   ARG  43          1HD       ARG  43   4.421  -2.664  -8.315
  343   2HD   ARG  43          2HD       ARG  43   3.664  -1.210  -8.963
  344    HE   ARG  43           HE       ARG  43   5.965  -0.344  -7.745
  345   1HH1  ARG  43          1HH1      ARG  43   5.174  -2.603 -10.280
  346   2HH1  ARG  43          2HH1      ARG  43   6.671  -2.377 -11.123
  347   1HH2  ARG  43          1HH2      ARG  43   7.936  -0.043  -8.846
  348   2HH2  ARG  43          2HH2      ARG  43   8.241  -0.924 -10.306
  349    H    THR  44           H        THR  44   1.808  -3.948  -3.682
  350    HA   THR  44           HA       THR  44   3.929  -3.287  -1.894
  351    HB   THR  44           HB       THR  44   3.558  -5.445  -0.873
  352    HG1  THR  44           HG1      THR  44   2.210  -6.977  -1.857
  353   1HG2  THR  44          1HG2      THR  44   1.916  -3.662  -0.425
  354   2HG2  THR  44          2HG2      THR  44   0.927  -4.257  -1.757
  355   3HG2  THR  44          3HG2      THR  44   1.190  -5.267  -0.337
  356    H    LYS  45           H        LYS  45   5.932  -4.304  -1.626
  357    HA   LYS  45           HA       LYS  45   7.228  -5.015  -4.080
  358   1HB   LYS  45          1HB       LYS  45   8.255  -4.999  -1.237
  359   2HB   LYS  45          2HB       LYS  45   9.253  -5.226  -2.666
  360   1HG   LYS  45          1HG       LYS  45   8.647  -2.994  -3.449
  361   2HG   LYS  45          2HG       LYS  45   7.642  -2.765  -2.017
  362   1HD   LYS  45          1HD       LYS  45   9.747  -1.673  -1.648
  363   2HD   LYS  45          2HD       LYS  45   9.676  -3.103  -0.616
  364   1HE   LYS  45          1HE       LYS  45  11.036  -4.339  -2.224
  365   2HE   LYS  45          2HE       LYS  45  11.089  -2.925  -3.276
  366   1HZ   LYS  45          1HZ       LYS  45  12.197  -3.062  -0.523
  367   2HZ   LYS  45          2HZ       LYS  45  13.102  -3.135  -1.950
  368   3HZ   LYS  45          3HZ       LYS  45  12.265  -1.719  -1.550
  369    HA   PRO  46           HA       PRO  46   6.476  -9.401  -3.528
  370   1HB   PRO  46          1HB       PRO  46   7.593 -10.263  -5.807
  371   2HB   PRO  46          2HB       PRO  46   6.065  -9.374  -5.805
  372   1HG   PRO  46          1HG       PRO  46   8.828  -8.387  -6.398
  373   2HG   PRO  46          2HG       PRO  46   7.311  -8.042  -7.250
  374   1HD   PRO  46          1HD       PRO  46   8.444  -6.351  -5.419
  375   2HD   PRO  46          2HD       PRO  46   6.705  -6.410  -5.760
  376    H    THR  47           H        THR  47   7.952 -11.446  -4.018
  377    HA   THR  47           HA       THR  47  10.755 -11.183  -3.656
  378    HB   THR  47           HB       THR  47  10.208 -10.530  -1.395
  379    HG1  THR  47           HG1      THR  47  11.568 -12.781  -2.004
  380   1HG2  THR  47          1HG2      THR  47   7.950 -11.478  -1.276
  381   2HG2  THR  47          2HG2      THR  47   8.635 -13.102  -1.220
  382   3HG2  THR  47          3HG2      THR  47   8.928 -11.976   0.105
  383    H    LYS  48           H        LYS  48  11.841 -13.175  -3.752
  384    HA   LYS  48           HA       LYS  48  12.156 -15.320  -4.446
  385   1HB   LYS  48          1HB       LYS  48  11.043 -15.687  -2.201
  386   2HB   LYS  48          2HB       LYS  48   9.534 -15.924  -3.073
  387   1HG   LYS  48          1HG       LYS  48  10.531 -17.819  -4.264
  388   2HG   LYS  48          2HG       LYS  48  12.030 -17.586  -3.364
  389   1HD   LYS  48          1HD       LYS  48  10.870 -18.031  -1.275
  390   2HD   LYS  48          2HD       LYS  48   9.340 -18.191  -2.137
  391   1HE   LYS  48          1HE       LYS  48  11.760 -19.953  -2.503
  392   2HE   LYS  48          2HE       LYS  48  10.313 -20.374  -1.589
  393   1HZ   LYS  48          1HZ       LYS  48  10.389 -19.770  -4.496
  394   2HZ   LYS  48          2HZ       LYS  48  10.286 -21.318  -3.821
  395   3HZ   LYS  48          3HZ       LYS  48   9.018 -20.218  -3.610
  396    H    SER  49           H        SER  49  11.132 -13.729  -6.385
  397    HA   SER  49           HA       SER  49  10.008 -13.686  -8.364
  398   1HB   SER  49          1HB       SER  49  11.396 -15.672  -8.761
  399   2HB   SER  49          2HB       SER  49  10.160 -16.692  -8.026
  400    HG   SER  49           HG       SER  49   8.797 -16.247  -9.714
  401    H    SER  50           H        SER  50   8.199 -12.794  -7.039
  402    HA   SER  50           HA       SER  50   5.826 -14.506  -7.341
  403   1HB   SER  50          1HB       SER  50   6.438 -12.674  -5.012
  404   2HB   SER  50          2HB       SER  50   4.895 -13.485  -5.274
  405    HG   SER  50           HG       SER  50   6.047 -14.782  -3.920
  406    HA   PRO  51           HA       PRO  51   4.240 -11.224  -9.867
  407   1HB   PRO  51          1HB       PRO  51   1.561 -11.613  -9.187
  408   2HB   PRO  51          2HB       PRO  51   2.422 -12.435 -10.491
  409   1HG   PRO  51          1HG       PRO  51   1.852 -13.371  -7.711
  410   2HG   PRO  51          2HG       PRO  51   1.828 -14.286  -9.231
  411   1HD   PRO  51          1HD       PRO  51   3.858 -14.512  -7.526
  412   2HD   PRO  51          2HD       PRO  51   4.149 -14.477  -9.280
  413    H    SER  52           H        SER  52   4.416  -9.158  -9.299
  414    HA   SER  52           HA       SER  52   3.939  -8.209  -6.664
  415   1HB   SER  52          1HB       SER  52   4.400  -5.973  -7.634
  416   2HB   SER  52          2HB       SER  52   5.619  -7.163  -8.089
  417    HG   SER  52           HG       SER  52   4.549  -7.380 -10.094
  418    H    ARG  53           H        ARG  53   2.075  -7.683  -5.762
  419    HA   ARG  53           HA       ARG  53  -0.286  -7.330  -7.434
  420   1HB   ARG  53          1HB       ARG  53   0.108  -7.727  -4.472
  421   2HB   ARG  53          2HB       ARG  53  -1.456  -7.317  -5.165
  422   1HG   ARG  53          1HG       ARG  53   0.161  -9.738  -5.926
  423   2HG   ARG  53          2HG       ARG  53  -1.152  -9.735  -4.748
  424   1HD   ARG  53          1HD       ARG  53  -2.668  -8.891  -6.522
  425   2HD   ARG  53          2HD       ARG  53  -1.347  -9.056  -7.679
  426    HE   ARG  53           HE       ARG  53  -1.849 -11.490  -6.284
  427   1HH1  ARG  53          1HH1      ARG  53  -2.975  -9.474  -8.893
  428   2HH1  ARG  53          2HH1      ARG  53  -3.705 -10.782  -9.761
  429   1HH2  ARG  53          1HH2      ARG  53  -2.810 -13.219  -7.418
  430   2HH2  ARG  53          2HH2      ARG  53  -3.615 -12.911  -8.920
  431    H    GLN  54           H        GLN  54  -1.745  -5.574  -7.143
  432    HA   GLN  54           HA       GLN  54  -0.754  -3.217  -5.751
  433   1HB   GLN  54          1HB       GLN  54  -1.093  -1.794  -7.766
  434   2HB   GLN  54          2HB       GLN  54   0.237  -2.932  -7.928
  435   1HG   GLN  54          1HG       GLN  54  -0.660  -3.485  -9.879
  436   2HG   GLN  54          2HG       GLN  54  -1.900  -4.327  -8.950
  437   1HE2  GLN  54          1HE2      GLN  54  -1.119  -1.487 -10.784
  438   2HE2  GLN  54          2HE2      GLN  54  -2.735  -0.901 -10.956
  439    H    GLY  55           H        GLY  55  -2.366  -2.156  -4.781
  440   1HA   GLY  55          1HA       GLY  55  -4.857  -2.969  -4.350
  441   2HA   GLY  55          2HA       GLY  55  -5.048  -2.208  -5.920
  442    H    TRP  56           H        TRP  56  -6.551  -0.785  -4.838
  443    HA   TRP  56           HA       TRP  56  -5.290   1.653  -4.024
  444   1HB   TRP  56          1HB       TRP  56  -8.214   0.873  -4.103
  445   2HB   TRP  56          2HB       TRP  56  -7.612   2.505  -3.823
  446    HD1  TRP  56           HD1      TRP  56  -8.189  -0.039  -6.591
  447    HE1  TRP  56           HE1      TRP  56  -7.829   1.110  -8.867
  448    HE3  TRP  56           HE3      TRP  56  -6.264   4.404  -4.960
  449    HZ2  TRP  56           HZ2      TRP  56  -6.857   3.579  -9.840
  450    HZ3  TRP  56           HZ3      TRP  56  -5.646   6.104  -6.619
  451    HH2  TRP  56           HH2      TRP  56  -5.936   5.701  -9.013
  452    H    VAL  57           H        VAL  57  -5.057   2.502  -2.022
  453    HA   VAL  57           HA       VAL  57  -6.320   1.114   0.238
  454    HB   VAL  57           HB       VAL  57  -4.240   1.274   1.541
  455   1HG1  VAL  57          1HG1      VAL  57  -4.021  -0.263  -1.043
  456   2HG1  VAL  57          2HG1      VAL  57  -3.002  -0.527   0.372
  457   3HG1  VAL  57          3HG1      VAL  57  -4.738  -0.822   0.468
  458   1HG2  VAL  57          1HG2      VAL  57  -3.011   2.156  -1.069
  459   2HG2  VAL  57          2HG2      VAL  57  -3.180   3.128   0.394
  460   3HG2  VAL  57          3HG2      VAL  57  -2.111   1.725   0.385
  461    H    SER  58           H        SER  58  -6.255   2.380   2.256
  462    HA   SER  58           HA       SER  58  -6.891   5.145   1.708
  463   1HB   SER  58          1HB       SER  58  -7.528   5.193   4.125
  464   2HB   SER  58          2HB       SER  58  -8.348   3.928   3.211
  465    HG   SER  58           HG       SER  58  -6.097   2.899   4.130
  466    HA   PRO  59           HA       PRO  59  -2.640   6.287   2.732
  467   1HB   PRO  59          1HB       PRO  59  -2.908   8.938   2.212
  468   2HB   PRO  59          2HB       PRO  59  -2.691   7.727   0.944
  469   1HG   PRO  59          1HG       PRO  59  -5.209   9.032   1.904
  470   2HG   PRO  59          2HG       PRO  59  -4.684   8.703   0.243
  471   1HD   PRO  59          1HD       PRO  59  -6.468   7.136   1.533
  472   2HD   PRO  59          2HD       PRO  59  -5.318   6.487   0.346
  473    H    ALA  60           H        ALA  60  -5.545   7.110   4.257
  474    HA   ALA  60           HA       ALA  60  -4.644   9.046   6.113
  475   1HB   ALA  60          1HB       ALA  60  -7.016   8.661   5.618
  476   2HB   ALA  60          2HB       ALA  60  -6.914   7.083   6.398
  477   3HB   ALA  60          3HB       ALA  60  -6.677   8.551   7.346
  478    H    TYR  61           H        TYR  61  -4.786   5.515   6.197
  479    HA   TYR  61           HA       TYR  61  -3.623   5.483   8.874
  480   1HB   TYR  61          1HB       TYR  61  -4.535   3.212   7.095
  481   2HB   TYR  61          2HB       TYR  61  -3.961   3.038   8.749
  482    HD1  TYR  61           HD1      TYR  61  -6.775   3.816   6.633
  483    HD2  TYR  61           HD2      TYR  61  -5.305   4.046  10.617
  484    HE1  TYR  61           HE1      TYR  61  -9.068   4.160   7.451
  485    HE2  TYR  61           HE2      TYR  61  -7.593   4.390  11.448
  486    HH   TYR  61           HH       TYR  61 -10.350   3.893   9.507
  487    H    LEU  62           H        LEU  62  -2.294   6.167   6.139
  488    HA   LEU  62           HA       LEU  62  -0.037   4.293   6.347
  489   1HB   LEU  62          1HB       LEU  62  -1.288   5.752   4.116
  490   2HB   LEU  62          2HB       LEU  62   0.465   5.734   4.095
  491    HG   LEU  62           HG       LEU  62   0.461   3.288   4.121
  492   1HD1  LEU  62          1HD1      LEU  62  -2.541   3.580   4.100
  493   2HD1  LEU  62          2HD1      LEU  62  -1.664   2.068   3.808
  494   3HD1  LEU  62          3HD1      LEU  62  -1.551   2.868   5.385
  495   1HD2  LEU  62          1HD2      LEU  62  -1.303   4.485   1.988
  496   2HD2  LEU  62          2HD2      LEU  62   0.458   4.413   1.973
  497   3HD2  LEU  62          3HD2      LEU  62  -0.485   2.927   1.882
  498    H    ASP  63           H        ASP  63   2.041   5.012   6.623
  499    HA   ASP  63           HA       ASP  63   2.378   7.885   7.178
  500   1HB   ASP  63          1HB       ASP  63   2.334   6.623   9.283
  501   2HB   ASP  63          2HB       ASP  63   3.616   5.572   8.688
  502    H    ARG  64           H        ARG  64   3.791   8.789   5.849
  503    HA   ARG  64           HA       ARG  64   5.308   7.436   3.961
  504   1HB   ARG  64          1HB       ARG  64   6.335   9.518   3.444
  505   2HB   ARG  64          2HB       ARG  64   4.685   9.873   3.927
  506   1HG   ARG  64          1HG       ARG  64   7.055  10.114   5.766
  507   2HG   ARG  64          2HG       ARG  64   6.403  11.446   4.812
  508   1HD   ARG  64          1HD       ARG  64   4.250  11.203   5.943
  509   2HD   ARG  64          2HD       ARG  64   4.891   9.859   6.886
  510    HE   ARG  64           HE       ARG  64   6.475  12.202   7.196
  511   1HH1  ARG  64          1HH1      ARG  64   3.496  10.703   8.211
  512   2HH1  ARG  64          2HH1      ARG  64   3.438  11.544   9.723
  513   1HH2  ARG  64          1HH2      ARG  64   6.406  13.313   9.185
  514   2HH2  ARG  64          2HH2      ARG  64   5.092  13.028  10.277
  515    H    ARG  65           H        ARG  65   7.334   6.623   3.871
  516    HA   ARG  65           HA       ARG  65   9.143   7.034   6.129
  517   1HB   ARG  65          1HB       ARG  65   7.883   5.010   6.689
  518   2HB   ARG  65          2HB       ARG  65   8.300   4.305   5.134
  519   1HG   ARG  65          1HG       ARG  65   9.709   3.342   6.799
  520   2HG   ARG  65          2HG       ARG  65  10.694   4.409   5.797
  521   1HD   ARG  65          1HD       ARG  65  11.253   4.700   8.140
  522   2HD   ARG  65          2HD       ARG  65  10.507   6.164   7.500
  523    HE   ARG  65           HE       ARG  65   8.459   4.685   8.605
  524   1HH1  ARG  65          1HH1      ARG  65  11.426   6.139   9.714
  525   2HH1  ARG  65          2HH1      ARG  65  10.840   6.415  11.320
  526   1HH2  ARG  65          1HH2      ARG  65   7.681   5.044  10.718
  527   2HH2  ARG  65          2HH2      ARG  65   8.713   5.793  11.891
  528    H    LEU  66           H        LEU  66  11.156   7.375   5.460
  529    HA   LEU  66           HA       LEU  66  11.873   6.541   2.727
  530   1HB   LEU  66          1HB       LEU  66  12.927   8.878   4.325
  531   2HB   LEU  66          2HB       LEU  66  13.458   8.429   2.715
  532    HG   LEU  66           HG       LEU  66  10.965   8.762   2.058
  533   1HD1  LEU  66          1HD1      LEU  66  11.110  10.359   4.609
  534   2HD1  LEU  66          2HD1      LEU  66   9.825  10.465   3.406
  535   3HD1  LEU  66          3HD1      LEU  66  10.072   8.968   4.302
  536   1HD2  LEU  66          1HD2      LEU  66  12.769  11.076   2.747
  537   2HD2  LEU  66          2HD2      LEU  66  12.773  10.153   1.245
  538   3HD2  LEU  66          3HD2      LEU  66  11.380  11.151   1.663
  539    H    LYS  67           H        LYS  67  13.680   5.365   2.409
  540    HA   LYS  67           HA       LYS  67  15.466   4.033   2.853
  541   1HB   LYS  67          1HB       LYS  67  16.021   5.982   5.095
  542   2HB   LYS  67          2HB       LYS  67  17.172   4.868   4.368
  543   1HG   LYS  67          1HG       LYS  67  17.035   6.062   2.261
  544   2HG   LYS  67          2HG       LYS  67  15.822   7.150   2.938
  545   1HD   LYS  67          1HD       LYS  67  17.755   8.396   3.157
  546   2HD   LYS  67          2HD       LYS  67  17.642   7.621   4.738
  547   1HE   LYS  67          1HE       LYS  67  19.297   6.603   2.431
  548   2HE   LYS  67          2HE       LYS  67  19.923   7.562   3.769
  549   1HZ   LYS  67          1HZ       LYS  67  19.177   5.789   5.282
  550   2HZ   LYS  67          2HZ       LYS  67  18.710   4.858   3.949
  551   3HZ   LYS  67          3HZ       LYS  67  20.340   5.253   4.177
  552    H    LEU  68           H        LEU  68  16.668   2.945   4.905
  553    HA   LEU  68           HA       LEU  68  14.489   1.739   6.466
  554   1HB   LEU  68          1HB       LEU  68  17.183   0.691   5.621
  555   2HB   LEU  68          2HB       LEU  68  16.212  -0.103   6.846
  556    HG   LEU  68           HG       LEU  68  14.377  -0.298   5.116
  557   1HD1  LEU  68          1HD1      LEU  68  16.616   0.531   3.276
  558   2HD1  LEU  68          2HD1      LEU  68  15.079  -0.164   2.761
  559   3HD1  LEU  68          3HD1      LEU  68  15.112   1.405   3.567
  560   1HD2  LEU  68          1HD2      LEU  68  15.800  -2.177   5.749
  561   2HD2  LEU  68          2HD2      LEU  68  15.398  -2.231   4.033
  562   3HD2  LEU  68          3HD2      LEU  68  16.993  -1.685   4.547

  No H/Q in entry =         562
  Start of MODEL   14
    1    H1   ILE   1           H1       ILE   1  12.359   9.865  -6.087
    2    H2   ILE   1           H2       ILE   1  13.578   8.853  -6.682
    3    H3   ILE   1           H3       ILE   1  11.990   8.684  -7.241
    4    HA   ILE   1           HA       ILE   1  12.510   6.933  -5.695
    5    HB   ILE   1           HB       ILE   1  12.952   9.162  -3.703
    6   1HG1  ILE   1          1HG1      ILE   1  14.848   8.923  -5.245
    7   2HG1  ILE   1          2HG1      ILE   1  15.279   8.376  -3.628
    8   1HG2  ILE   1          1HG2      ILE   1  13.111   6.168  -3.388
    9   2HG2  ILE   1          2HG2      ILE   1  13.567   7.348  -2.160
   10   3HG2  ILE   1          3HG2      ILE   1  11.890   7.232  -2.691
   11   1HD1  ILE   1          1HD1      ILE   1  14.557   6.610  -5.956
   12   2HD1  ILE   1          2HD1      ILE   1  16.180   6.899  -5.328
   13   3HD1  ILE   1          3HD1      ILE   1  14.987   6.058  -4.337
   14    H    PHE   2           H        PHE   2  10.625   6.027  -5.244
   15    HA   PHE   2           HA       PHE   2   8.229   7.544  -5.054
   16   1HB   PHE   2          1HB       PHE   2   8.719   4.610  -4.495
   17   2HB   PHE   2          2HB       PHE   2   7.137   5.361  -4.688
   18    HD1  PHE   2           HD1      PHE   2   6.458   6.257  -6.888
   19    HD2  PHE   2           HD2      PHE   2  10.051   4.037  -6.371
   20    HE1  PHE   2           HE1      PHE   2   6.569   5.879  -9.317
   21    HE2  PHE   2           HE2      PHE   2  10.170   3.656  -8.799
   22    HZ   PHE   2           HZ       PHE   2   8.427   4.578 -10.275
   23    H    ASP   3           H        ASP   3   6.644   6.528  -3.148
   24    HA   ASP   3           HA       ASP   3   8.059   7.123  -0.631
   25   1HB   ASP   3          1HB       ASP   3   6.537   8.961  -1.417
   26   2HB   ASP   3          2HB       ASP   3   5.188   7.844  -1.230
   27    H    ILE   4           H        ILE   4   8.251   5.228   0.380
   28    HA   ILE   4           HA       ILE   4   6.208   3.200   0.234
   29    HB   ILE   4           HB       ILE   4   8.667   3.203   1.978
   30   1HG1  ILE   4          1HG1      ILE   4   8.442   2.043  -0.802
   31   2HG1  ILE   4          2HG1      ILE   4   9.138   3.629  -0.479
   32   1HG2  ILE   4          1HG2      ILE   4   6.997   1.520   2.528
   33   2HG2  ILE   4          2HG2      ILE   4   6.987   0.967   0.854
   34   3HG2  ILE   4          3HG2      ILE   4   8.437   0.772   1.838
   35   1HD1  ILE   4          1HD1      ILE   4  10.150   1.012   0.610
   36   2HD1  ILE   4          2HD1      ILE   4  10.852   1.922  -0.728
   37   3HD1  ILE   4          3HD1      ILE   4  10.857   2.601   0.900
   38    H    TYR   5           H        TYR   5   4.467   3.277   1.469
   39    HA   TYR   5           HA       TYR   5   4.522   4.668   4.036
   40   1HB   TYR   5          1HB       TYR   5   2.216   3.499   2.466
   41   2HB   TYR   5          2HB       TYR   5   2.064   4.398   3.970
   42    HD1  TYR   5           HD1      TYR   5   2.901   4.648   0.393
   43    HD2  TYR   5           HD2      TYR   5   2.210   6.790   4.002
   44    HE1  TYR   5           HE1      TYR   5   2.755   6.743  -0.885
   45    HE2  TYR   5           HE2      TYR   5   2.064   8.892   2.734
   46    HH   TYR   5           HH       TYR   5   2.789   9.811   0.604
   47    H    VAL   6           H        VAL   6   4.173   3.673   5.984
   48    HA   VAL   6           HA       VAL   6   4.307   0.744   5.951
   49    HB   VAL   6           HB       VAL   6   6.104   1.847   7.176
   50   1HG1  VAL   6          1HG1      VAL   6   3.917   3.006   8.897
   51   2HG1  VAL   6          2HG1      VAL   6   5.647   3.117   9.222
   52   3HG1  VAL   6          3HG1      VAL   6   4.965   3.899   7.796
   53   1HG2  VAL   6          1HG2      VAL   6   5.333  -0.334   7.955
   54   2HG2  VAL   6          2HG2      VAL   6   5.894   0.659   9.300
   55   3HG2  VAL   6          3HG2      VAL   6   4.166   0.452   9.019
   56    H    VAL   7           H        VAL   7   2.768  -0.515   6.842
   57    HA   VAL   7           HA       VAL   7   0.263   0.750   7.577
   58    HB   VAL   7           HB       VAL   7   0.924  -2.192   7.372
   59   1HG1  VAL   7          1HG1      VAL   7  -1.720  -0.746   7.490
   60   2HG1  VAL   7          2HG1      VAL   7  -1.515  -2.473   7.192
   61   3HG1  VAL   7          3HG1      VAL   7  -1.032  -1.782   8.742
   62   1HG2  VAL   7          1HG2      VAL   7   1.261  -1.005   5.245
   63   2HG2  VAL   7          2HG2      VAL   7  -0.103  -2.121   5.174
   64   3HG2  VAL   7          3HG2      VAL   7  -0.389  -0.388   5.341
   65    H    THR   8           H        THR   8   0.005   1.392   9.619
   66    HA   THR   8           HA       THR   8   1.019  -0.354  11.767
   67    HB   THR   8           HB       THR   8   1.205   1.651  13.193
   68    HG1  THR   8           HG1      THR   8   0.189   2.869  10.874
   69   1HG2  THR   8          1HG2      THR   8   2.723   1.857  10.589
   70   2HG2  THR   8          2HG2      THR   8   3.182   2.623  12.110
   71   3HG2  THR   8          3HG2      THR   8   3.174   0.864  11.976
   72    H    ALA   9           H        ALA   9  -1.675  -0.022  10.300
   73    HA   ALA   9           HA       ALA   9  -3.304   0.154  12.749
   74   1HB   ALA   9          1HB       ALA   9  -4.116   1.123  10.011
   75   2HB   ALA   9          2HB       ALA   9  -5.111   1.157  11.467
   76   3HB   ALA   9          3HB       ALA   9  -3.656   2.147  11.371
   77    H    ASP  10           H        ASP  10  -2.239  -1.784  10.287
   78    HA   ASP  10           HA       ASP  10  -2.811  -3.844   9.518
   79   1HB   ASP  10          1HB       ASP  10  -3.021  -4.357  11.924
   80   2HB   ASP  10          2HB       ASP  10  -4.709  -3.856  11.875
   81    H    TYR  11           H        TYR  11  -3.733  -3.396   7.564
   82    HA   TYR  11           HA       TYR  11  -6.584  -2.731   7.483
   83   1HB   TYR  11          1HB       TYR  11  -4.897  -1.395   6.154
   84   2HB   TYR  11          2HB       TYR  11  -4.651  -2.826   5.161
   85    HD1  TYR  11           HD1      TYR  11  -6.813  -0.004   5.870
   86    HD2  TYR  11           HD2      TYR  11  -6.512  -3.680   3.747
   87    HE1  TYR  11           HE1      TYR  11  -8.711   0.664   4.455
   88    HE2  TYR  11           HE2      TYR  11  -8.408  -3.022   2.327
   89    HH   TYR  11           HH       TYR  11  -9.615   0.136   2.215
   90    H    LEU  12           H        LEU  12  -7.500  -4.724   7.960
   91    HA   LEU  12           HA       LEU  12  -7.058  -6.844   5.959
   92   1HB   LEU  12          1HB       LEU  12  -6.570  -7.162   8.530
   93   2HB   LEU  12          2HB       LEU  12  -8.306  -7.391   8.616
   94    HG   LEU  12           HG       LEU  12  -6.488  -9.018   6.841
   95   1HD1  LEU  12          1HD1      LEU  12  -5.926  -9.383   9.185
   96   2HD1  LEU  12          2HD1      LEU  12  -7.623  -9.698   9.550
   97   3HD1  LEU  12          3HD1      LEU  12  -6.728 -10.795   8.498
   98   1HD2  LEU  12          1HD2      LEU  12  -9.368  -9.351   7.668
   99   2HD2  LEU  12          2HD2      LEU  12  -8.768  -8.971   6.054
  100   3HD2  LEU  12          3HD2      LEU  12  -8.429 -10.546   6.773
  101    HA   PRO  13           HA       PRO  13 -11.259  -5.478   4.837
  102   1HB   PRO  13          1HB       PRO  13 -10.883  -7.622   2.826
  103   2HB   PRO  13          2HB       PRO  13 -11.360  -5.936   2.599
  104   1HG   PRO  13          1HG       PRO  13  -8.921  -6.782   1.920
  105   2HG   PRO  13          2HG       PRO  13  -9.175  -5.176   2.628
  106   1HD   PRO  13          1HD       PRO  13  -8.128  -7.668   3.908
  107   2HD   PRO  13          2HD       PRO  13  -7.614  -5.984   4.131
  108    H    LEU  14           H        LEU  14 -13.297  -6.384   5.071
  109    HA   LEU  14           HA       LEU  14 -13.354  -9.156   6.069
  110   1HB   LEU  14          1HB       LEU  14 -15.070  -6.832   6.949
  111   2HB   LEU  14          2HB       LEU  14 -15.240  -8.485   7.509
  112    HG   LEU  14           HG       LEU  14 -12.755  -8.200   8.269
  113   1HD1  LEU  14          1HD1      LEU  14 -13.690  -5.336   8.137
  114   2HD1  LEU  14          2HD1      LEU  14 -12.230  -5.906   8.948
  115   3HD1  LEU  14          3HD1      LEU  14 -12.380  -6.050   7.196
  116   1HD2  LEU  14          1HD2      LEU  14 -14.668  -8.563   9.753
  117   2HD2  LEU  14          2HD2      LEU  14 -13.523  -7.409  10.438
  118   3HD2  LEU  14          3HD2      LEU  14 -15.025  -6.836   9.712
  119    H    GLY  15           H        GLY  15 -14.015 -10.201   4.244
  120   1HA   GLY  15          1HA       GLY  15 -16.612  -9.339   3.125
  121   2HA   GLY  15          2HA       GLY  15 -16.187 -11.025   3.372
  122    H    ALA  16           H        ALA  16 -16.407  -8.614   1.123
  123    HA   ALA  16           HA       ALA  16 -14.547 -10.013  -0.687
  124   1HB   ALA  16          1HB       ALA  16 -16.904 -10.307  -1.287
  125   2HB   ALA  16          2HB       ALA  16 -16.029  -9.398  -2.519
  126   3HB   ALA  16          3HB       ALA  16 -17.093  -8.556  -1.391
  127    H    GLU  17           H        GLU  17 -12.896  -8.878  -1.462
  128    HA   GLU  17           HA       GLU  17 -12.689  -6.057  -0.890
  129   1HB   GLU  17          1HB       GLU  17 -10.776  -7.884  -2.354
  130   2HB   GLU  17          2HB       GLU  17 -10.421  -6.255  -1.801
  131   1HG   GLU  17          1HG       GLU  17  -9.443  -7.670  -0.222
  132   2HG   GLU  17          2HG       GLU  17 -10.925  -7.091   0.536
  133    H    GLN  18           H        GLN  18 -12.836  -4.389  -2.293
  134    HA   GLN  18           HA       GLN  18 -13.536  -5.043  -5.079
  135   1HB   GLN  18          1HB       GLN  18 -14.303  -2.620  -3.438
  136   2HB   GLN  18          2HB       GLN  18 -14.751  -2.895  -5.116
  137   1HG   GLN  18          1HG       GLN  18 -16.042  -4.845  -4.476
  138   2HG   GLN  18          2HG       GLN  18 -15.553  -4.637  -2.795
  139   1HE2  GLN  18          1HE2      GLN  18 -17.664  -4.417  -2.083
  140   2HE2  GLN  18          2HE2      GLN  18 -18.603  -3.000  -2.393
  141    H    ASP  19           H        ASP  19 -11.607  -4.923  -6.118
  142    HA   ASP  19           HA       ASP  19  -9.729  -4.041  -7.050
  143   1HB   ASP  19          1HB       ASP  19 -11.147  -1.426  -6.489
  144   2HB   ASP  19          2HB       ASP  19  -9.775  -1.631  -7.573
  145    H    ALA  20           H        ALA  20  -9.956  -4.348  -4.056
  146    HA   ALA  20           HA       ALA  20  -7.843  -2.457  -3.256
  147   1HB   ALA  20          1HB       ALA  20  -9.889  -2.272  -1.936
  148   2HB   ALA  20          2HB       ALA  20  -9.774  -3.979  -1.509
  149   3HB   ALA  20          3HB       ALA  20  -8.544  -2.845  -0.950
  150    H    ILE  21           H        ILE  21  -6.414  -3.411  -1.449
  151    HA   ILE  21           HA       ILE  21  -5.796  -6.232  -1.992
  152    HB   ILE  21           HB       ILE  21  -4.222  -4.930  -3.306
  153   1HG1  ILE  21          1HG1      ILE  21  -2.838  -5.991  -0.833
  154   2HG1  ILE  21          2HG1      ILE  21  -3.462  -7.007  -2.128
  155   1HG2  ILE  21          1HG2      ILE  21  -3.516  -3.573  -0.709
  156   2HG2  ILE  21          2HG2      ILE  21  -2.650  -3.375  -2.232
  157   3HG2  ILE  21          3HG2      ILE  21  -4.324  -2.837  -2.094
  158   1HD1  ILE  21          1HD1      ILE  21  -1.311  -4.921  -2.410
  159   2HD1  ILE  21          2HD1      ILE  21  -1.064  -6.666  -2.330
  160   3HD1  ILE  21          3HD1      ILE  21  -1.924  -5.959  -3.698
  161    H    THR  22           H        THR  22  -5.043  -7.411  -0.269
  162    HA   THR  22           HA       THR  22  -5.657  -6.413   2.334
  163    HB   THR  22           HB       THR  22  -4.262  -8.989   1.581
  164    HG1  THR  22           HG1      THR  22  -6.586  -8.386   0.849
  165   1HG2  THR  22          1HG2      THR  22  -5.698  -8.162   4.107
  166   2HG2  THR  22          2HG2      THR  22  -5.091  -9.781   3.765
  167   3HG2  THR  22          3HG2      THR  22  -3.965  -8.434   3.932
  168    H    LEU  23           H        LEU  23  -4.367  -5.471   3.777
  169    HA   LEU  23           HA       LEU  23  -1.454  -5.713   3.447
  170   1HB   LEU  23          1HB       LEU  23  -3.017  -3.205   4.058
  171   2HB   LEU  23          2HB       LEU  23  -1.274  -3.334   4.192
  172    HG   LEU  23           HG       LEU  23  -2.848  -3.674   1.637
  173   1HD1  LEU  23          1HD1      LEU  23  -1.133  -1.390   2.599
  174   2HD1  LEU  23          2HD1      LEU  23  -1.864  -1.529   0.999
  175   3HD1  LEU  23          3HD1      LEU  23  -2.888  -1.372   2.427
  176   1HD2  LEU  23          1HD2      LEU  23   0.120  -3.613   2.168
  177   2HD2  LEU  23          2HD2      LEU  23  -0.822  -4.993   1.605
  178   3HD2  LEU  23          3HD2      LEU  23  -0.625  -3.579   0.570
  179    H    ARG  24           H        ARG  24  -0.518  -6.501   5.210
  180    HA   ARG  24           HA       ARG  24  -1.997  -6.527   7.722
  181   1HB   ARG  24          1HB       ARG  24   0.565  -7.900   6.893
  182   2HB   ARG  24          2HB       ARG  24  -0.177  -8.063   8.479
  183   1HG   ARG  24          1HG       ARG  24  -0.923  -9.950   7.399
  184   2HG   ARG  24          2HG       ARG  24  -2.263  -8.832   7.141
  185   1HD   ARG  24          1HD       ARG  24  -1.795  -9.952   5.073
  186   2HD   ARG  24          2HD       ARG  24  -1.292  -8.269   4.925
  187    HE   ARG  24           HE       ARG  24   0.980  -9.502   5.684
  188   1HH1  ARG  24          1HH1      ARG  24  -1.335 -10.160   3.163
  189   2HH1  ARG  24          2HH1      ARG  24  -0.168 -10.871   2.101
  190   1HH2  ARG  24          1HH2      ARG  24   2.522 -10.438   4.292
  191   2HH2  ARG  24          2HH2      ARG  24   2.024 -11.029   2.741
  192    H    GLU  25           H        GLU  25  -1.263  -5.641   9.635
  193    HA   GLU  25           HA       GLU  25   0.155  -3.240   9.502
  194   1HB   GLU  25          1HB       GLU  25  -1.357  -3.611  11.316
  195   2HB   GLU  25          2HB       GLU  25  -0.481  -5.042  11.838
  196   1HG   GLU  25          1HG       GLU  25   1.417  -3.657  12.480
  197   2HG   GLU  25          2HG       GLU  25   0.560  -2.220  11.926
  198    H    GLY  26           H        GLY  26   2.197  -3.131   8.816
  199   1HA   GLY  26          1HA       GLY  26   4.154  -5.010   9.985
  200   2HA   GLY  26          2HA       GLY  26   4.484  -3.290   9.849
  201    H    GLN  27           H        GLN  27   2.833  -3.686   7.179
  202    HA   GLN  27           HA       GLN  27   4.975  -4.860   5.579
  203   1HB   GLN  27          1HB       GLN  27   2.094  -4.757   5.423
  204   2HB   GLN  27          2HB       GLN  27   2.816  -4.156   3.942
  205   1HG   GLN  27          1HG       GLN  27   4.159  -6.237   3.817
  206   2HG   GLN  27          2HG       GLN  27   3.284  -6.830   5.228
  207   1HE2  GLN  27          1HE2      GLN  27   3.097  -6.060   1.847
  208   2HE2  GLN  27          2HE2      GLN  27   1.589  -6.846   1.541
  209    H    TYR  28           H        TYR  28   5.794  -3.771   3.744
  210    HA   TYR  28           HA       TYR  28   5.486  -0.839   3.838
  211   1HB   TYR  28          1HB       TYR  28   7.915  -2.370   2.891
  212   2HB   TYR  28          2HB       TYR  28   7.784  -0.633   3.129
  213    HD1  TYR  28           HD1      TYR  28   7.886   0.331   5.356
  214    HD2  TYR  28           HD2      TYR  28   8.158  -3.876   4.787
  215    HE1  TYR  28           HE1      TYR  28   8.705   0.078   7.662
  216    HE2  TYR  28           HE2      TYR  28   8.976  -4.141   7.090
  217    HH   TYR  28           HH       TYR  28  10.047  -2.848   8.825
  218    H    VAL  29           H        VAL  29   5.142   0.253   1.924
  219    HA   VAL  29           HA       VAL  29   5.427  -1.069  -0.619
  220    HB   VAL  29           HB       VAL  29   3.340  -2.055  -0.127
  221   1HG1  VAL  29          1HG1      VAL  29   2.735  -0.695   1.798
  222   2HG1  VAL  29          2HG1      VAL  29   2.368   0.666   0.738
  223   3HG1  VAL  29          3HG1      VAL  29   1.391  -0.800   0.661
  224   1HG2  VAL  29          1HG2      VAL  29   3.545  -0.968  -2.364
  225   2HG2  VAL  29          2HG2      VAL  29   1.885  -1.177  -1.809
  226   3HG2  VAL  29          3HG2      VAL  29   2.653   0.408  -1.720
  227    H    GLU  30           H        GLU  30   6.125   0.431  -1.979
  228    HA   GLU  30           HA       GLU  30   5.880   3.226  -1.449
  229   1HB   GLU  30          1HB       GLU  30   7.076   3.453  -3.640
  230   2HB   GLU  30          2HB       GLU  30   7.904   2.442  -2.465
  231   1HG   GLU  30          1HG       GLU  30   7.022   0.444  -3.592
  232   2HG   GLU  30          2HG       GLU  30   6.258   1.482  -4.795
  233    H    VAL  31           H        VAL  31   4.890   4.802  -2.812
  234    HA   VAL  31           HA       VAL  31   2.386   3.864  -3.945
  235    HB   VAL  31           HB       VAL  31   2.346   5.793  -2.429
  236   1HG1  VAL  31          1HG1      VAL  31   4.524   6.745  -2.968
  237   2HG1  VAL  31          2HG1      VAL  31   3.943   7.192  -4.571
  238   3HG1  VAL  31          3HG1      VAL  31   3.250   7.952  -3.140
  239   1HG2  VAL  31          1HG2      VAL  31   0.603   5.568  -4.119
  240   2HG2  VAL  31          2HG2      VAL  31   0.964   7.266  -3.809
  241   3HG2  VAL  31          3HG2      VAL  31   1.581   6.485  -5.263
  242    H    LEU  32           H        LEU  32   1.737   4.121  -6.040
  243    HA   LEU  32           HA       LEU  32   3.880   4.572  -7.982
  244   1HB   LEU  32          1HB       LEU  32   1.148   3.330  -8.306
  245   2HB   LEU  32          2HB       LEU  32   2.338   3.482  -9.583
  246    HG   LEU  32           HG       LEU  32   2.796   1.905  -7.051
  247   1HD1  LEU  32          1HD1      LEU  32   0.956   0.932  -8.324
  248   2HD1  LEU  32          2HD1      LEU  32   1.953   0.932  -9.779
  249   3HD1  LEU  32          3HD1      LEU  32   2.394  -0.085  -8.408
  250   1HD2  LEU  32          1HD2      LEU  32   4.275   2.012  -9.678
  251   2HD2  LEU  32          2HD2      LEU  32   4.835   2.658  -8.136
  252   3HD2  LEU  32          3HD2      LEU  32   4.636   0.919  -8.343
  253    H    ASP  33           H        ASP  33   0.390   5.285  -7.742
  254    HA   ASP  33           HA       ASP  33   0.506   7.340  -9.711
  255   1HB   ASP  33          1HB       ASP  33  -1.547   6.081  -9.346
  256   2HB   ASP  33          2HB       ASP  33  -1.641   6.669  -7.689
  257    H    ALA  34           H        ALA  34  -0.657   7.731  -6.376
  258    HA   ALA  34           HA       ALA  34  -0.426   9.410  -4.863
  259   1HB   ALA  34          1HB       ALA  34   1.738  10.509  -4.672
  260   2HB   ALA  34          2HB       ALA  34   2.196   9.911  -6.267
  261   3HB   ALA  34          3HB       ALA  34   1.940   8.777  -4.940
  262    H    ALA  35           H        ALA  35  -2.157  10.645  -5.579
  263    HA   ALA  35           HA       ALA  35  -1.468  13.238  -6.603
  264   1HB   ALA  35          1HB       ALA  35  -2.913  13.196  -8.557
  265   2HB   ALA  35          2HB       ALA  35  -1.654  11.970  -8.695
  266   3HB   ALA  35          3HB       ALA  35  -3.296  11.500  -8.259
  267    H    HIS  36           H        HIS  36  -4.386  11.180  -6.466
  268    HA   HIS  36           HA       HIS  36  -5.825  13.347  -5.148
  269   1HB   HIS  36          1HB       HIS  36  -6.811  10.667  -6.142
  270   2HB   HIS  36          2HB       HIS  36  -7.825  11.965  -5.522
  271    HD1  HIS  36           HD1      HIS  36  -6.284  10.708  -8.582
  272    HD2  HIS  36           HD2      HIS  36  -7.811  14.328  -7.227
  273    HE1  HIS  36           HE1      HIS  36  -6.649  12.098 -10.645
  274    HE2  HIS  36           HE2      HIS  36  -7.644  14.258  -9.808
  275    HA   PRO  37           HA       PRO  37  -4.728  11.614  -1.115
  276   1HB   PRO  37          1HB       PRO  37  -7.099  13.325  -0.467
  277   2HB   PRO  37          2HB       PRO  37  -5.555  13.203   0.369
  278   1HG   PRO  37          1HG       PRO  37  -6.003  15.242  -1.150
  279   2HG   PRO  37          2HG       PRO  37  -4.427  14.446  -1.220
  280   1HD   PRO  37          1HD       PRO  37  -6.700  14.316  -3.161
  281   2HD   PRO  37          2HD       PRO  37  -4.950  14.326  -3.470
  282    H    LEU  38           H        LEU  38  -7.857  11.578  -2.660
  283    HA   LEU  38           HA       LEU  38  -9.377  10.102  -0.888
  284   1HB   LEU  38          1HB       LEU  38  -9.332  10.173  -3.894
  285   2HB   LEU  38          2HB       LEU  38 -10.473   9.169  -3.022
  286    HG   LEU  38           HG       LEU  38 -11.528  11.243  -3.689
  287   1HD1  LEU  38          1HD1      LEU  38 -12.235  10.251  -1.583
  288   2HD1  LEU  38          2HD1      LEU  38 -11.008  11.179  -0.722
  289   3HD1  LEU  38          3HD1      LEU  38 -12.343  12.009  -1.522
  290   1HD2  LEU  38          1HD2      LEU  38  -9.529  12.643  -3.827
  291   2HD2  LEU  38          2HD2      LEU  38 -10.782  13.402  -2.846
  292   3HD2  LEU  38          3HD2      LEU  38  -9.399  12.633  -2.069
  293    H    ARG  39           H        ARG  39  -7.701   8.677  -3.705
  294    HA   ARG  39           HA       ARG  39  -6.852   6.425  -2.068
  295   1HB   ARG  39          1HB       ARG  39  -7.790   4.793  -3.724
  296   2HB   ARG  39          2HB       ARG  39  -9.000   5.636  -2.766
  297   1HG   ARG  39          1HG       ARG  39  -9.231   7.238  -4.709
  298   2HG   ARG  39          2HG       ARG  39  -8.264   6.094  -5.641
  299   1HD   ARG  39          1HD       ARG  39 -10.842   5.422  -4.230
  300   2HD   ARG  39          2HD       ARG  39 -10.706   5.801  -5.946
  301    HE   ARG  39           HE       ARG  39  -8.977   3.664  -5.173
  302   1HH1  ARG  39          1HH1      ARG  39 -12.268   4.459  -6.000
  303   2HH1  ARG  39          2HH1      ARG  39 -12.649   2.864  -6.558
  304   1HH2  ARG  39          1HH2      ARG  39  -9.473   1.559  -5.910
  305   2HH2  ARG  39          2HH2      ARG  39 -11.062   1.219  -6.506
  306    H    TRP  40           H        TRP  40  -4.927   5.627  -2.696
  307    HA   TRP  40           HA       TRP  40  -3.867   6.544  -5.288
  308   1HB   TRP  40          1HB       TRP  40  -2.432   6.100  -2.667
  309   2HB   TRP  40          2HB       TRP  40  -1.603   6.365  -4.196
  310    HD1  TRP  40           HD1      TRP  40  -3.606   8.721  -5.223
  311    HE1  TRP  40           HE1      TRP  40  -3.364  11.053  -4.160
  312    HE3  TRP  40           HE3      TRP  40  -1.211   7.401  -0.903
  313    HZ2  TRP  40           HZ2      TRP  40  -2.297  12.184  -1.803
  314    HZ3  TRP  40           HZ3      TRP  40  -0.613   9.168   0.702
  315    HH2  TRP  40           HH2      TRP  40  -1.145  11.509   0.259
  316    H    LEU  41           H        LEU  41  -2.630   5.138  -6.521
  317    HA   LEU  41           HA       LEU  41  -3.172   2.322  -6.080
  318   1HB   LEU  41          1HB       LEU  41  -3.503   3.127  -8.309
  319   2HB   LEU  41          2HB       LEU  41  -1.911   3.858  -8.348
  320    HG   LEU  41           HG       LEU  41  -0.896   1.598  -8.302
  321   1HD1  LEU  41          1HD1      LEU  41  -2.693   0.408  -7.167
  322   2HD1  LEU  41          2HD1      LEU  41  -3.748   0.652  -8.560
  323   3HD1  LEU  41          3HD1      LEU  41  -2.306  -0.354  -8.709
  324   1HD2  LEU  41          1HD2      LEU  41  -1.302   2.764 -10.422
  325   2HD2  LEU  41          2HD2      LEU  41  -1.439   1.015 -10.595
  326   3HD2  LEU  41          3HD2      LEU  41  -2.893   2.010 -10.523
  327    H    VAL  42           H        VAL  42  -1.802   1.027  -5.036
  328    HA   VAL  42           HA       VAL  42   1.077   1.597  -5.179
  329    HB   VAL  42           HB       VAL  42   1.385   1.196  -2.825
  330   1HG1  VAL  42          1HG1      VAL  42   0.781   3.488  -3.571
  331   2HG1  VAL  42          2HG1      VAL  42  -0.895   3.141  -3.150
  332   3HG1  VAL  42          3HG1      VAL  42   0.344   3.153  -1.896
  333   1HG2  VAL  42          1HG2      VAL  42  -1.600   0.767  -2.703
  334   2HG2  VAL  42          2HG2      VAL  42  -0.354  -0.458  -2.461
  335   3HG2  VAL  42          3HG2      VAL  42  -0.528   0.865  -1.307
  336    H    ARG  43           H        ARG  43   2.452  -0.207  -4.923
  337    HA   ARG  43           HA       ARG  43   1.139  -2.829  -4.824
  338   1HB   ARG  43          1HB       ARG  43   1.981  -3.576  -6.800
  339   2HB   ARG  43          2HB       ARG  43   1.924  -1.869  -7.200
  340   1HG   ARG  43          1HG       ARG  43   4.380  -3.215  -6.108
  341   2HG   ARG  43          2HG       ARG  43   4.028  -3.084  -7.830
  342   1HD   ARG  43          1HD       ARG  43   4.165  -0.730  -7.780
  343   2HD   ARG  43          2HD       ARG  43   4.112  -0.688  -6.019
  344    HE   ARG  43           HE       ARG  43   6.357  -1.486  -5.976
  345   1HH1  ARG  43          1HH1      ARG  43   5.186  -0.687  -9.160
  346   2HH1  ARG  43          2HH1      ARG  43   6.770  -0.544  -9.844
  347   1HH2  ARG  43          1HH2      ARG  43   8.443  -1.303  -6.871
  348   2HH2  ARG  43          2HH2      ARG  43   8.621  -0.896  -8.544
  349    H    THR  44           H        THR  44   2.099  -4.238  -3.486
  350    HA   THR  44           HA       THR  44   4.323  -3.356  -1.915
  351    HB   THR  44           HB       THR  44   4.068  -5.361  -0.640
  352    HG1  THR  44           HG1      THR  44   3.722  -6.672  -2.664
  353   1HG2  THR  44          1HG2      THR  44   1.367  -4.377  -1.567
  354   2HG2  THR  44          2HG2      THR  44   1.659  -5.314  -0.103
  355   3HG2  THR  44          3HG2      THR  44   2.338  -3.694  -0.264
  356    H    LYS  45           H        LYS  45   6.267  -4.660  -1.550
  357    HA   LYS  45           HA       LYS  45   7.569  -5.240  -4.019
  358   1HB   LYS  45          1HB       LYS  45   8.483  -5.653  -1.169
  359   2HB   LYS  45          2HB       LYS  45   9.513  -5.792  -2.588
  360   1HG   LYS  45          1HG       LYS  45   9.262  -3.468  -3.083
  361   2HG   LYS  45          2HG       LYS  45   8.035  -3.283  -1.829
  362   1HD   LYS  45          1HD       LYS  45  10.904  -4.072  -1.323
  363   2HD   LYS  45          2HD       LYS  45  10.271  -2.432  -1.162
  364   1HE   LYS  45          1HE       LYS  45   9.456  -4.866   0.422
  365   2HE   LYS  45          2HE       LYS  45  10.346  -3.463   1.011
  366   1HZ   LYS  45          1HZ       LYS  45   7.560  -3.400  -0.016
  367   2HZ   LYS  45          2HZ       LYS  45   7.992  -3.398   1.620
  368   3HZ   LYS  45          3HZ       LYS  45   8.416  -2.092   0.631
  369    HA   PRO  46           HA       PRO  46   6.536  -9.578  -4.124
  370   1HB   PRO  46          1HB       PRO  46   8.031 -10.299  -6.238
  371   2HB   PRO  46          2HB       PRO  46   6.581  -9.305  -6.414
  372   1HG   PRO  46          1HG       PRO  46   9.454  -8.482  -6.405
  373   2HG   PRO  46          2HG       PRO  46   8.128  -7.913  -7.436
  374   1HD   PRO  46          1HD       PRO  46   9.057  -6.557  -5.238
  375   2HD   PRO  46          2HD       PRO  46   7.411  -6.401  -5.881
  376    H    THR  47           H        THR  47   7.470 -11.632  -3.740
  377    HA   THR  47           HA       THR  47  10.051 -11.496  -2.368
  378    HB   THR  47           HB       THR  47   9.469 -13.557  -1.283
  379    HG1  THR  47           HG1      THR  47   7.454 -14.602  -1.843
  380   1HG2  THR  47          1HG2      THR  47   8.435 -11.546  -0.352
  381   2HG2  THR  47          2HG2      THR  47   7.041 -11.763  -1.410
  382   3HG2  THR  47          3HG2      THR  47   7.382 -12.946  -0.148
  383    H    LYS  48           H        LYS  48  10.480 -14.381  -2.566
  384    HA   LYS  48           HA       LYS  48  11.921 -14.376  -5.062
  385   1HB   LYS  48          1HB       LYS  48  12.879 -16.468  -4.304
  386   2HB   LYS  48          2HB       LYS  48  12.908 -15.296  -2.995
  387   1HG   LYS  48          1HG       LYS  48  10.947 -16.348  -1.996
  388   2HG   LYS  48          2HG       LYS  48  10.901 -17.517  -3.318
  389   1HD   LYS  48          1HD       LYS  48  13.162 -18.283  -2.670
  390   2HD   LYS  48          2HD       LYS  48  13.119 -17.168  -1.304
  391   1HE   LYS  48          1HE       LYS  48  11.143 -18.330  -0.430
  392   2HE   LYS  48          2HE       LYS  48  11.210 -19.451  -1.789
  393   1HZ   LYS  48          1HZ       LYS  48  13.387 -20.183  -1.026
  394   2HZ   LYS  48          2HZ       LYS  48  13.313 -19.112   0.282
  395   3HZ   LYS  48          3HZ       LYS  48  12.222 -20.403   0.180
  396    H    SER  49           H        SER  49   8.782 -15.092  -4.315
  397    HA   SER  49           HA       SER  49   8.439 -16.553  -6.784
  398   1HB   SER  49          1HB       SER  49   7.212 -18.432  -5.745
  399   2HB   SER  49          2HB       SER  49   8.902 -18.390  -5.244
  400    HG   SER  49           HG       SER  49   7.924 -18.578  -3.352
  401    H    SER  50           H        SER  50   7.339 -14.485  -4.370
  402    HA   SER  50           HA       SER  50   4.533 -14.676  -5.141
  403   1HB   SER  50          1HB       SER  50   5.894 -12.884  -3.114
  404   2HB   SER  50          2HB       SER  50   4.153 -12.995  -3.373
  405    HG   SER  50           HG       SER  50   5.587 -15.339  -2.841
  406    HA   PRO  51           HA       PRO  51   5.289 -11.579  -8.307
  407   1HB   PRO  51          1HB       PRO  51   2.687 -11.392  -9.106
  408   2HB   PRO  51          2HB       PRO  51   3.774 -12.688  -9.618
  409   1HG   PRO  51          1HG       PRO  51   1.735 -12.699  -7.420
  410   2HG   PRO  51          2HG       PRO  51   2.038 -13.926  -8.667
  411   1HD   PRO  51          1HD       PRO  51   2.979 -14.210  -6.181
  412   2HD   PRO  51          2HD       PRO  51   3.935 -14.721  -7.590
  413    H    SER  52           H        SER  52   4.673  -9.380  -8.681
  414    HA   SER  52           HA       SER  52   4.083  -7.960  -6.263
  415   1HB   SER  52          1HB       SER  52   4.400  -6.891  -9.078
  416   2HB   SER  52          2HB       SER  52   4.453  -5.945  -7.591
  417    HG   SER  52           HG       SER  52   6.537  -6.331  -7.980
  418    H    ARG  53           H        ARG  53   2.154  -7.353  -5.544
  419    HA   ARG  53           HA       ARG  53  -0.105  -7.338  -7.433
  420   1HB   ARG  53          1HB       ARG  53  -0.100  -7.803  -4.450
  421   2HB   ARG  53          2HB       ARG  53  -1.542  -7.721  -5.455
  422   1HG   ARG  53          1HG       ARG  53  -0.507  -9.636  -6.788
  423   2HG   ARG  53          2HG       ARG  53   0.601  -9.814  -5.426
  424   1HD   ARG  53          1HD       ARG  53  -1.341 -10.049  -3.923
  425   2HD   ARG  53          2HD       ARG  53  -2.406  -9.957  -5.325
  426    HE   ARG  53           HE       ARG  53  -0.670 -12.003  -5.882
  427   1HH1  ARG  53          1HH1      ARG  53  -2.929 -11.280  -3.327
  428   2HH1  ARG  53          2HH1      ARG  53  -3.268 -12.943  -2.981
  429   1HH2  ARG  53          1HH2      ARG  53  -1.112 -14.194  -5.432
  430   2HH2  ARG  53          2HH2      ARG  53  -2.233 -14.599  -4.177
  431    H    GLN  54           H        GLN  54  -1.351  -5.555  -7.630
  432    HA   GLN  54           HA       GLN  54  -0.691  -3.254  -5.909
  433   1HB   GLN  54          1HB       GLN  54  -1.255  -1.823  -7.877
  434   2HB   GLN  54          2HB       GLN  54   0.169  -2.828  -8.109
  435   1HG   GLN  54          1HG       GLN  54  -1.133  -4.403  -9.422
  436   2HG   GLN  54          2HG       GLN  54  -2.585  -3.438  -9.160
  437   1HE2  GLN  54          1HE2      GLN  54  -2.882  -3.120 -11.361
  438   2HE2  GLN  54          2HE2      GLN  54  -1.880  -2.057 -12.284
  439    H    GLY  55           H        GLY  55  -2.328  -2.317  -4.854
  440   1HA   GLY  55          1HA       GLY  55  -4.711  -3.274  -4.263
  441   2HA   GLY  55          2HA       GLY  55  -5.060  -2.618  -5.855
  442    H    TRP  56           H        TRP  56  -6.450  -1.017  -5.245
  443    HA   TRP  56           HA       TRP  56  -5.270   1.381  -4.203
  444   1HB   TRP  56          1HB       TRP  56  -8.176   0.820  -4.833
  445   2HB   TRP  56          2HB       TRP  56  -7.435   2.403  -4.629
  446    HD1  TRP  56           HD1      TRP  56  -7.313  -0.610  -7.054
  447    HE1  TRP  56           HE1      TRP  56  -6.658   0.267  -9.383
  448    HE3  TRP  56           HE3      TRP  56  -6.441   4.287  -5.866
  449    HZ2  TRP  56           HZ2      TRP  56  -5.879   2.707 -10.562
  450    HZ3  TRP  56           HZ3      TRP  56  -5.745   5.827  -7.655
  451    HH2  TRP  56           HH2      TRP  56  -5.469   5.052  -9.954
  452    H    VAL  57           H        VAL  57  -5.078   1.868  -2.126
  453    HA   VAL  57           HA       VAL  57  -7.106   0.864  -0.240
  454    HB   VAL  57           HB       VAL  57  -5.328   0.662   1.477
  455   1HG1  VAL  57          1HG1      VAL  57  -6.096  -1.311   0.274
  456   2HG1  VAL  57          2HG1      VAL  57  -4.907  -1.016  -0.995
  457   3HG1  VAL  57          3HG1      VAL  57  -4.373  -1.431   0.634
  458   1HG2  VAL  57          1HG2      VAL  57  -3.467   1.116  -0.854
  459   2HG2  VAL  57          2HG2      VAL  57  -3.693   2.188   0.527
  460   3HG2  VAL  57          3HG2      VAL  57  -2.978   0.592   0.758
  461    H    SER  58           H        SER  58  -6.999   2.100   1.889
  462    HA   SER  58           HA       SER  58  -7.123   4.922   1.268
  463   1HB   SER  58          1HB       SER  58  -7.740   3.435   3.831
  464   2HB   SER  58          2HB       SER  58  -8.063   5.143   3.544
  465    HG   SER  58           HG       SER  58  -9.076   3.241   1.751
  466    HA   PRO  59           HA       PRO  59  -2.911   5.372   2.847
  467   1HB   PRO  59          1HB       PRO  59  -2.572   7.950   2.116
  468   2HB   PRO  59          2HB       PRO  59  -2.473   6.617   0.959
  469   1HG   PRO  59          1HG       PRO  59  -4.756   8.472   1.519
  470   2HG   PRO  59          2HG       PRO  59  -4.126   7.915  -0.042
  471   1HD   PRO  59          1HD       PRO  59  -6.328   6.838   1.120
  472   2HD   PRO  59          2HD       PRO  59  -5.232   5.901   0.085
  473    H    ALA  60           H        ALA  60  -5.787   6.623   3.960
  474    HA   ALA  60           HA       ALA  60  -4.933   8.663   5.715
  475   1HB   ALA  60          1HB       ALA  60  -7.272   8.370   5.053
  476   2HB   ALA  60          2HB       ALA  60  -7.335   6.855   5.956
  477   3HB   ALA  60          3HB       ALA  60  -7.090   8.379   6.809
  478    H    TYR  61           H        TYR  61  -4.967   5.187   5.951
  479    HA   TYR  61           HA       TYR  61  -4.225   5.294   8.782
  480   1HB   TYR  61          1HB       TYR  61  -4.819   2.900   7.026
  481   2HB   TYR  61          2HB       TYR  61  -4.548   2.864   8.764
  482    HD1  TYR  61           HD1      TYR  61  -6.949   3.412   6.128
  483    HD2  TYR  61           HD2      TYR  61  -6.218   3.962  10.283
  484    HE1  TYR  61           HE1      TYR  61  -9.356   3.748   6.501
  485    HE2  TYR  61           HE2      TYR  61  -8.622   4.298  10.668
  486    HH   TYR  61           HH       TYR  61 -10.976   3.554   8.351
  487    H    LEU  62           H        LEU  62  -2.585   5.889   6.206
  488    HA   LEU  62           HA       LEU  62  -0.336   4.074   6.737
  489   1HB   LEU  62          1HB       LEU  62  -1.297   5.537   4.345
  490   2HB   LEU  62          2HB       LEU  62   0.440   5.393   4.528
  491    HG   LEU  62           HG       LEU  62   0.360   3.022   4.411
  492   1HD1  LEU  62          1HD1      LEU  62  -2.641   3.285   4.614
  493   2HD1  LEU  62          2HD1      LEU  62  -1.781   1.781   4.242
  494   3HD1  LEU  62          3HD1      LEU  62  -1.549   2.570   5.812
  495   1HD2  LEU  62          1HD2      LEU  62  -1.573   4.176   2.405
  496   2HD2  LEU  62          2HD2      LEU  62   0.183   4.133   2.261
  497   3HD2  LEU  62          3HD2      LEU  62  -0.740   2.630   2.251
  498    H    ASP  63           H        ASP  63   1.857   5.076   6.523
  499    HA   ASP  63           HA       ASP  63   1.885   7.788   7.676
  500   1HB   ASP  63          1HB       ASP  63   3.700   5.460   8.339
  501   2HB   ASP  63          2HB       ASP  63   3.912   7.100   8.942
  502    H    ARG  64           H        ARG  64   3.368   9.224   6.905
  503    HA   ARG  64           HA       ARG  64   4.536   8.612   4.344
  504   1HB   ARG  64          1HB       ARG  64   3.469  10.776   4.732
  505   2HB   ARG  64          2HB       ARG  64   4.621  11.132   6.012
  506   1HG   ARG  64          1HG       ARG  64   6.440  11.133   4.388
  507   2HG   ARG  64          2HG       ARG  64   5.294  10.751   3.101
  508   1HD   ARG  64          1HD       ARG  64   5.825  13.138   3.146
  509   2HD   ARG  64          2HD       ARG  64   4.123  12.849   3.503
  510    HE   ARG  64           HE       ARG  64   5.924  13.146   5.772
  511   1HH1  ARG  64          1HH1      ARG  64   3.533  14.576   3.677
  512   2HH1  ARG  64          2HH1      ARG  64   3.138  15.848   4.784
  513   1HH2  ARG  64          1HH2      ARG  64   5.410  14.816   7.233
  514   2HH2  ARG  64          2HH2      ARG  64   4.207  15.987   6.805
  515    H    ARG  65           H        ARG  65   6.472   7.749   4.083
  516    HA   ARG  65           HA       ARG  65   8.639   8.514   5.906
  517   1HB   ARG  65          1HB       ARG  65   8.055   5.679   5.026
  518   2HB   ARG  65          2HB       ARG  65   9.451   6.191   5.964
  519   1HG   ARG  65          1HG       ARG  65   7.856   6.985   7.727
  520   2HG   ARG  65          2HG       ARG  65   6.567   6.204   6.809
  521   1HD   ARG  65          1HD       ARG  65   7.296   4.705   8.535
  522   2HD   ARG  65          2HD       ARG  65   7.817   4.066   6.977
  523    HE   ARG  65           HE       ARG  65   9.909   5.594   7.979
  524   1HH1  ARG  65          1HH1      ARG  65   8.164   2.699   8.834
  525   2HH1  ARG  65          2HH1      ARG  65   9.511   1.975   9.648
  526   1HH2  ARG  65          1HH2      ARG  65  11.684   4.647   9.050
  527   2HH2  ARG  65          2HH2      ARG  65  11.512   3.081   9.768
  528    H    LEU  66           H        LEU  66  10.727   8.453   4.992
  529    HA   LEU  66           HA       LEU  66  10.727   8.354   2.049
  530   1HB   LEU  66          1HB       LEU  66  12.512   9.925   3.908
  531   2HB   LEU  66          2HB       LEU  66  12.645   9.904   2.160
  532    HG   LEU  66           HG       LEU  66  10.262  10.936   3.701
  533   1HD1  LEU  66          1HD1      LEU  66  12.220  12.356   3.999
  534   2HD1  LEU  66          2HD1      LEU  66  12.449  12.422   2.250
  535   3HD1  LEU  66          3HD1      LEU  66  11.016  13.145   2.980
  536   1HD2  LEU  66          1HD2      LEU  66  10.914  10.994   0.757
  537   2HD2  LEU  66          2HD2      LEU  66   9.634  10.058   1.529
  538   3HD2  LEU  66          3HD2      LEU  66   9.556  11.820   1.520
  539    H    LYS  67           H        LYS  67  12.357   7.310   0.961
  540    HA   LYS  67           HA       LYS  67  13.906   5.702   0.555
  541   1HB   LYS  67          1HB       LYS  67  15.031   6.553   3.229
  542   2HB   LYS  67          2HB       LYS  67  15.876   5.614   2.007
  543   1HG   LYS  67          1HG       LYS  67  15.715   7.518   0.460
  544   2HG   LYS  67          2HG       LYS  67  14.931   8.459   1.731
  545   1HD   LYS  67          1HD       LYS  67  16.921   8.202   3.139
  546   2HD   LYS  67          2HD       LYS  67  17.704   7.275   1.858
  547   1HE   LYS  67          1HE       LYS  67  16.823  10.156   1.718
  548   2HE   LYS  67          2HE       LYS  67  18.482   9.570   1.826
  549   1HZ   LYS  67          1HZ       LYS  67  16.617   9.051  -0.427
  550   2HZ   LYS  67          2HZ       LYS  67  17.888  10.167  -0.440
  551   3HZ   LYS  67          3HZ       LYS  67  18.218   8.511  -0.325
  552    H    LEU  68           H        LEU  68  15.064   3.711   1.720
  553    HA   LEU  68           HA       LEU  68  13.026   2.398   3.394
  554   1HB   LEU  68          1HB       LEU  68  13.033   1.574   1.053
  555   2HB   LEU  68          2HB       LEU  68  14.710   1.100   1.251
  556    HG   LEU  68           HG       LEU  68  13.992  -0.455   3.072
  557   1HD1  LEU  68          1HD1      LEU  68  11.907   0.652   3.677
  558   2HD1  LEU  68          2HD1      LEU  68  11.229   0.256   2.098
  559   3HD1  LEU  68          3HD1      LEU  68  11.627  -1.033   3.236
  560   1HD2  LEU  68          1HD2      LEU  68  12.760  -0.860   0.350
  561   2HD2  LEU  68          2HD2      LEU  68  14.403  -1.282   0.834
  562   3HD2  LEU  68          3HD2      LEU  68  13.030  -2.128   1.547

  No H/Q in entry =         562
  Start of MODEL   15
    1    H1   ILE   1           H1       ILE   1  11.666   3.904  -7.342
    2    H2   ILE   1           H2       ILE   1  11.859   5.584  -7.350
    3    H3   ILE   1           H3       ILE   1  13.218   4.576  -7.382
    4    HA   ILE   1           HA       ILE   1  12.745   3.768  -5.184
    5    HB   ILE   1           HB       ILE   1  12.654   6.787  -5.259
    6   1HG1  ILE   1          1HG1      ILE   1  15.067   4.959  -5.227
    7   2HG1  ILE   1          2HG1      ILE   1  14.456   5.765  -6.668
    8   1HG2  ILE   1          1HG2      ILE   1  13.656   4.871  -3.153
    9   2HG2  ILE   1          2HG2      ILE   1  13.824   6.627  -3.098
   10   3HG2  ILE   1          3HG2      ILE   1  12.222   5.892  -3.045
   11   1HD1  ILE   1          1HD1      ILE   1  15.461   7.151  -4.193
   12   2HD1  ILE   1          2HD1      ILE   1  16.367   6.931  -5.691
   13   3HD1  ILE   1          3HD1      ILE   1  14.912   7.929  -5.679
   14    H    PHE   2           H        PHE   2  10.494   6.387  -6.068
   15    HA   PHE   2           HA       PHE   2   8.372   6.864  -5.414
   16   1HB   PHE   2          1HB       PHE   2   8.263   3.902  -4.806
   17   2HB   PHE   2          2HB       PHE   2   6.871   4.969  -4.970
   18    HD1  PHE   2           HD1      PHE   2   6.262   5.880  -7.168
   19    HD2  PHE   2           HD2      PHE   2   9.431   3.079  -6.711
   20    HE1  PHE   2           HE1      PHE   2   6.208   5.431  -9.587
   21    HE2  PHE   2           HE2      PHE   2   9.385   2.626  -9.127
   22    HZ   PHE   2           HZ       PHE   2   7.774   3.801 -10.570
   23    H    ASP   3           H        ASP   3   6.734   6.023  -3.382
   24    HA   ASP   3           HA       ASP   3   8.361   6.520  -0.973
   25   1HB   ASP   3          1HB       ASP   3   5.585   7.575  -1.554
   26   2HB   ASP   3          2HB       ASP   3   6.508   7.859  -0.081
   27    H    ILE   4           H        ILE   4   8.382   4.697   0.179
   28    HA   ILE   4           HA       ILE   4   6.168   2.851   0.165
   29    HB   ILE   4           HB       ILE   4   8.667   2.751   1.853
   30   1HG1  ILE   4          1HG1      ILE   4   8.203   1.394  -0.807
   31   2HG1  ILE   4          2HG1      ILE   4   9.088   2.908  -0.636
   32   1HG2  ILE   4          1HG2      ILE   4   6.844   1.300   2.596
   33   2HG2  ILE   4          2HG2      ILE   4   6.762   0.583   0.987
   34   3HG2  ILE   4          3HG2      ILE   4   8.205   0.365   1.976
   35   1HD1  ILE   4          1HD1      ILE   4   9.837   0.281   0.630
   36   2HD1  ILE   4          2HD1      ILE   4  10.587   0.999  -0.796
   37   3HD1  ILE   4          3HD1      ILE   4  10.731   1.795   0.771
   38    H    TYR   5           H        TYR   5   4.679   2.549   1.722
   39    HA   TYR   5           HA       TYR   5   4.878   4.187   4.165
   40   1HB   TYR   5          1HB       TYR   5   2.416   3.467   2.564
   41   2HB   TYR   5          2HB       TYR   5   2.384   4.265   4.133
   42    HD1  TYR   5           HD1      TYR   5   2.774   6.600   4.331
   43    HD2  TYR   5           HD2      TYR   5   3.411   4.651   0.604
   44    HE1  TYR   5           HE1      TYR   5   2.969   8.788   3.227
   45    HE2  TYR   5           HE2      TYR   5   3.611   6.833  -0.510
   46    HH   TYR   5           HH       TYR   5   3.986   9.736   1.183
   47    H    VAL   6           H        VAL   6   4.677   3.152   6.065
   48    HA   VAL   6           HA       VAL   6   4.280   0.262   5.990
   49    HB   VAL   6           HB       VAL   6   6.237   1.103   7.193
   50   1HG1  VAL   6          1HG1      VAL   6   5.361   3.255   7.909
   51   2HG1  VAL   6          2HG1      VAL   6   4.241   2.450   9.009
   52   3HG1  VAL   6          3HG1      VAL   6   5.980   2.347   9.288
   53   1HG2  VAL   6          1HG2      VAL   6   4.159  -0.131   8.999
   54   2HG2  VAL   6          2HG2      VAL   6   5.255  -0.995   7.920
   55   3HG2  VAL   6          3HG2      VAL   6   5.895  -0.109   9.305
   56    H    VAL   7           H        VAL   7   2.676  -0.817   7.064
   57    HA   VAL   7           HA       VAL   7   0.379   0.794   7.878
   58    HB   VAL   7           HB       VAL   7   0.534  -2.204   7.548
   59   1HG1  VAL   7          1HG1      VAL   7  -1.817  -0.321   7.698
   60   2HG1  VAL   7          2HG1      VAL   7  -1.911  -2.056   7.393
   61   3HG1  VAL   7          3HG1      VAL   7  -1.313  -1.462   8.943
   62   1HG2  VAL   7          1HG2      VAL   7  -0.368  -0.108   5.575
   63   2HG2  VAL   7          2HG2      VAL   7   1.071  -1.119   5.440
   64   3HG2  VAL   7          3HG2      VAL   7  -0.532  -1.851   5.363
   65    H    THR   8           H        THR   8  -0.078   1.148   9.950
   66    HA   THR   8           HA       THR   8   0.896  -0.770  11.959
   67    HB   THR   8           HB       THR   8   1.342   1.121  13.497
   68    HG1  THR   8           HG1      THR   8   0.688   3.044  12.927
   69   1HG2  THR   8          1HG2      THR   8   2.858   1.229  10.887
   70   2HG2  THR   8          2HG2      THR   8   3.424   1.874  12.429
   71   3HG2  THR   8          3HG2      THR   8   3.182   0.138  12.235
   72    H    ALA   9           H        ALA   9  -1.770   0.070  10.585
   73    HA   ALA   9           HA       ALA   9  -3.300   0.304  13.094
   74   1HB   ALA   9          1HB       ALA   9  -4.040   1.431  10.398
   75   2HB   ALA   9          2HB       ALA   9  -3.474   2.355  11.789
   76   3HB   ALA   9          3HB       ALA   9  -5.025   1.518  11.858
   77    H    ASP  10           H        ASP  10  -2.444  -1.815  10.808
   78    HA   ASP  10           HA       ASP  10  -3.294  -3.744   9.945
   79   1HB   ASP  10          1HB       ASP  10  -3.494  -4.212  12.378
   80   2HB   ASP  10          2HB       ASP  10  -5.140  -3.585  12.338
   81    H    TYR  11           H        TYR  11  -4.147  -2.211   8.226
   82    HA   TYR  11           HA       TYR  11  -7.020  -1.819   8.238
   83   1HB   TYR  11          1HB       TYR  11  -5.493  -0.087   7.320
   84   2HB   TYR  11          2HB       TYR  11  -5.015  -1.214   6.055
   85    HD1  TYR  11           HD1      TYR  11  -7.979   0.546   7.457
   86    HD2  TYR  11           HD2      TYR  11  -6.231  -1.325   4.059
   87    HE1  TYR  11           HE1      TYR  11  -9.857   1.322   6.073
   88    HE2  TYR  11           HE2      TYR  11  -8.105  -0.552   2.664
   89    HH   TYR  11           HH       TYR  11 -10.451   0.145   2.952
   90    H    LEU  12           H        LEU  12  -7.992  -3.789   8.090
   91    HA   LEU  12           HA       LEU  12  -7.304  -5.458   5.770
   92   1HB   LEU  12          1HB       LEU  12  -7.104  -6.543   7.975
   93   2HB   LEU  12          2HB       LEU  12  -8.798  -6.208   8.284
   94    HG   LEU  12           HG       LEU  12  -9.381  -7.643   6.324
   95   1HD1  LEU  12          1HD1      LEU  12  -6.447  -8.329   6.407
   96   2HD1  LEU  12          2HD1      LEU  12  -7.673  -9.159   5.449
   97   3HD1  LEU  12          3HD1      LEU  12  -7.279  -7.473   5.110
   98   1HD2  LEU  12          1HD2      LEU  12  -9.462  -8.502   8.609
   99   2HD2  LEU  12          2HD2      LEU  12  -8.968  -9.754   7.472
  100   3HD2  LEU  12          3HD2      LEU  12  -7.766  -8.971   8.498
  101    HA   PRO  13           HA       PRO  13 -11.118  -3.964   3.934
  102   1HB   PRO  13          1HB       PRO  13 -10.798  -6.421   2.293
  103   2HB   PRO  13          2HB       PRO  13 -11.022  -4.747   1.779
  104   1HG   PRO  13          1HG       PRO  13  -8.643  -5.919   1.572
  105   2HG   PRO  13          2HG       PRO  13  -8.775  -4.222   2.069
  106   1HD   PRO  13          1HD       PRO  13  -8.257  -6.653   3.736
  107   2HD   PRO  13          2HD       PRO  13  -7.548  -5.029   3.859
  108    H    LEU  14           H        LEU  14 -13.277  -4.483   4.066
  109    HA   LEU  14           HA       LEU  14 -13.904  -6.869   5.634
  110   1HB   LEU  14          1HB       LEU  14 -15.661  -4.514   4.933
  111   2HB   LEU  14          2HB       LEU  14 -16.073  -5.814   6.035
  112    HG   LEU  14           HG       LEU  14 -13.957  -5.029   7.344
  113   1HD1  LEU  14          1HD1      LEU  14 -14.642  -2.552   5.769
  114   2HD1  LEU  14          2HD1      LEU  14 -13.553  -2.623   7.155
  115   3HD1  LEU  14          3HD1      LEU  14 -13.141  -3.471   5.665
  116   1HD2  LEU  14          1HD2      LEU  14 -16.288  -4.918   8.132
  117   2HD2  LEU  14          2HD2      LEU  14 -15.329  -3.533   8.657
  118   3HD2  LEU  14          3HD2      LEU  14 -16.468  -3.362   7.321
  119    H    GLY  15           H        GLY  15 -13.946  -8.523   4.176
  120   1HA   GLY  15          1HA       GLY  15 -16.255  -8.569   2.397
  121   2HA   GLY  15          2HA       GLY  15 -15.267  -9.947   2.857
  122    H    ALA  16           H        ALA  16 -15.880  -9.893   0.305
  123    HA   ALA  16           HA       ALA  16 -13.330  -9.363  -0.971
  124   1HB   ALA  16          1HB       ALA  16 -15.814 -10.722  -2.011
  125   2HB   ALA  16          2HB       ALA  16 -14.378 -11.512  -1.361
  126   3HB   ALA  16          3HB       ALA  16 -14.279 -10.608  -2.873
  127    H    GLU  17           H        GLU  17 -13.029  -7.314  -1.590
  128    HA   GLU  17           HA       GLU  17 -15.223  -5.934  -2.984
  129   1HB   GLU  17          1HB       GLU  17 -12.829  -4.828  -1.509
  130   2HB   GLU  17          2HB       GLU  17 -13.932  -3.845  -2.462
  131   1HG   GLU  17          1HG       GLU  17 -14.720  -5.508  -0.082
  132   2HG   GLU  17          2HG       GLU  17 -14.409  -3.773  -0.052
  133    H    GLN  18           H        GLN  18 -14.798  -4.827  -4.913
  134    HA   GLN  18           HA       GLN  18 -12.770  -6.054  -6.544
  135   1HB   GLN  18          1HB       GLN  18 -14.731  -3.857  -7.222
  136   2HB   GLN  18          2HB       GLN  18 -13.764  -4.766  -8.374
  137   1HG   GLN  18          1HG       GLN  18 -15.882  -5.920  -6.573
  138   2HG   GLN  18          2HG       GLN  18 -16.077  -5.549  -8.286
  139   1HE2  GLN  18          1HE2      GLN  18 -14.613  -7.670  -5.956
  140   2HE2  GLN  18          2HE2      GLN  18 -14.159  -8.911  -7.069
  141    H    ASP  19           H        ASP  19 -11.026  -5.071  -7.528
  142    HA   ASP  19           HA       ASP  19  -9.222  -3.700  -7.693
  143   1HB   ASP  19          1HB       ASP  19 -11.227  -1.517  -7.075
  144   2HB   ASP  19          2HB       ASP  19  -9.635  -1.289  -7.794
  145    H    ALA  20           H        ALA  20 -10.125  -4.766  -5.031
  146    HA   ALA  20           HA       ALA  20  -8.820  -2.804  -3.268
  147   1HB   ALA  20          1HB       ALA  20 -11.078  -3.427  -2.590
  148   2HB   ALA  20          2HB       ALA  20 -10.603  -5.126  -2.542
  149   3HB   ALA  20          3HB       ALA  20  -9.887  -3.979  -1.411
  150    H    ILE  21           H        ILE  21  -7.452  -3.695  -1.534
  151    HA   ILE  21           HA       ILE  21  -6.178  -6.254  -2.166
  152    HB   ILE  21           HB       ILE  21  -4.785  -4.661  -3.325
  153   1HG1  ILE  21          1HG1      ILE  21  -3.462  -5.420  -0.709
  154   2HG1  ILE  21          2HG1      ILE  21  -3.686  -6.511  -2.073
  155   1HG2  ILE  21          1HG2      ILE  21  -5.466  -2.646  -2.147
  156   2HG2  ILE  21          2HG2      ILE  21  -4.608  -3.184  -0.703
  157   3HG2  ILE  21          3HG2      ILE  21  -3.708  -2.791  -2.169
  158   1HD1  ILE  21          1HD1      ILE  21  -2.061  -3.978  -2.104
  159   2HD1  ILE  21          2HD1      ILE  21  -1.420  -5.617  -1.977
  160   3HD1  ILE  21          3HD1      ILE  21  -2.256  -5.107  -3.445
  161    H    THR  22           H        THR  22  -5.393  -7.341  -0.403
  162    HA   THR  22           HA       THR  22  -6.245  -6.361   2.183
  163    HB   THR  22           HB       THR  22  -5.555  -8.573   3.024
  164    HG1  THR  22           HG1      THR  22  -4.206  -9.726   1.882
  165   1HG2  THR  22          1HG2      THR  22  -7.220  -8.662   0.505
  166   2HG2  THR  22          2HG2      THR  22  -7.178  -9.916   1.743
  167   3HG2  THR  22          3HG2      THR  22  -7.804  -8.314   2.133
  168    H    LEU  23           H        LEU  23  -4.996  -5.455   3.681
  169    HA   LEU  23           HA       LEU  23  -2.083  -5.468   3.256
  170   1HB   LEU  23          1HB       LEU  23  -3.949  -3.448   4.449
  171   2HB   LEU  23          2HB       LEU  23  -2.248  -3.438   4.869
  172    HG   LEU  23           HG       LEU  23  -3.300  -3.203   2.049
  173   1HD1  LEU  23          1HD1      LEU  23  -2.343  -1.087   3.970
  174   2HD1  LEU  23          2HD1      LEU  23  -2.622  -0.833   2.247
  175   3HD1  LEU  23          3HD1      LEU  23  -3.967  -1.258   3.305
  176   1HD2  LEU  23          1HD2      LEU  23  -1.050  -4.145   2.205
  177   2HD2  LEU  23          2HD2      LEU  23  -1.013  -2.516   1.529
  178   3HD2  LEU  23          3HD2      LEU  23  -0.546  -2.784   3.208
  179    H    ARG  24           H        ARG  24  -0.763  -5.311   5.252
  180    HA   ARG  24           HA       ARG  24  -1.998  -6.645   7.558
  181   1HB   ARG  24          1HB       ARG  24   0.578  -7.440   6.192
  182   2HB   ARG  24          2HB       ARG  24   0.097  -8.015   7.782
  183   1HG   ARG  24          1HG       ARG  24  -1.544  -8.423   5.296
  184   2HG   ARG  24          2HG       ARG  24  -0.371  -9.590   5.907
  185   1HD   ARG  24          1HD       ARG  24  -2.824  -8.582   7.345
  186   2HD   ARG  24          2HD       ARG  24  -2.606 -10.184   6.641
  187    HE   ARG  24           HE       ARG  24  -0.768  -9.320   8.748
  188   1HH1  ARG  24          1HH1      ARG  24  -3.404 -11.346   7.710
  189   2HH1  ARG  24          2HH1      ARG  24  -3.285 -12.416   9.067
  190   1HH2  ARG  24          1HH2      ARG  24  -0.600 -10.726  10.534
  191   2HH2  ARG  24          2HH2      ARG  24  -1.691 -12.065  10.670
  192    H    GLU  25           H        GLU  25  -1.424  -5.828   9.483
  193    HA   GLU  25           HA       GLU  25  -0.048  -3.387   9.648
  194   1HB   GLU  25          1HB       GLU  25  -1.694  -3.964  11.305
  195   2HB   GLU  25          2HB       GLU  25  -0.789  -5.393  11.781
  196   1HG   GLU  25          1HG       GLU  25   1.009  -3.963  12.625
  197   2HG   GLU  25          2HG       GLU  25   0.083  -2.536  12.160
  198    H    GLY  26           H        GLY  26   2.021  -3.316   8.981
  199   1HA   GLY  26          1HA       GLY  26   3.919  -5.198  10.240
  200   2HA   GLY  26          2HA       GLY  26   4.261  -3.481  10.089
  201    H    GLN  27           H        GLN  27   2.714  -3.930   7.355
  202    HA   GLN  27           HA       GLN  27   4.922  -5.135   5.871
  203   1HB   GLN  27          1HB       GLN  27   2.050  -5.042   5.593
  204   2HB   GLN  27          2HB       GLN  27   2.835  -4.487   4.128
  205   1HG   GLN  27          1HG       GLN  27   3.316  -7.107   5.518
  206   2HG   GLN  27          2HG       GLN  27   2.389  -6.870   4.037
  207   1HE2  GLN  27          1HE2      GLN  27   3.471  -6.394   2.122
  208   2HE2  GLN  27          2HE2      GLN  27   5.167  -6.665   1.934
  209    H    TYR  28           H        TYR  28   5.544  -4.112   3.815
  210    HA   TYR  28           HA       TYR  28   5.357  -1.173   3.924
  211   1HB   TYR  28          1HB       TYR  28   7.755  -2.781   3.027
  212   2HB   TYR  28          2HB       TYR  28   7.653  -1.029   3.143
  213    HD1  TYR  28           HD1      TYR  28   7.408   0.026   5.416
  214    HD2  TYR  28           HD2      TYR  28   8.349  -4.092   4.903
  215    HE1  TYR  28           HE1      TYR  28   8.223  -0.071   7.735
  216    HE2  TYR  28           HE2      TYR  28   9.166  -4.200   7.221
  217    HH   TYR  28           HH       TYR  28  10.033  -2.680   8.938
  218    H    VAL  29           H        VAL  29   5.052  -0.099   1.991
  219    HA   VAL  29           HA       VAL  29   5.247  -1.486  -0.526
  220    HB   VAL  29           HB       VAL  29   3.125  -2.370   0.066
  221   1HG1  VAL  29          1HG1      VAL  29   2.593  -0.844   1.895
  222   2HG1  VAL  29          2HG1      VAL  29   2.269   0.445   0.736
  223   3HG1  VAL  29          3HG1      VAL  29   1.237  -0.985   0.776
  224   1HG2  VAL  29          1HG2      VAL  29   3.369  -1.467  -2.237
  225   2HG2  VAL  29          2HG2      VAL  29   1.701  -1.522  -1.670
  226   3HG2  VAL  29          3HG2      VAL  29   2.573   0.010  -1.698
  227    H    GLU  30           H        GLU  30   5.951  -0.058  -1.952
  228    HA   GLU  30           HA       GLU  30   5.836   2.758  -1.501
  229   1HB   GLU  30          1HB       GLU  30   6.959   2.870  -3.741
  230   2HB   GLU  30          2HB       GLU  30   7.791   1.871  -2.559
  231   1HG   GLU  30          1HG       GLU  30   6.757  -0.128  -3.585
  232   2HG   GLU  30          2HG       GLU  30   6.058   0.915  -4.824
  233    H    VAL  31           H        VAL  31   4.877   4.326  -2.886
  234    HA   VAL  31           HA       VAL  31   2.289   3.476  -3.906
  235    HB   VAL  31           HB       VAL  31   2.415   5.437  -2.420
  236   1HG1  VAL  31          1HG1      VAL  31   3.957   6.705  -4.682
  237   2HG1  VAL  31          2HG1      VAL  31   3.353   7.545  -3.254
  238   3HG1  VAL  31          3HG1      VAL  31   4.588   6.299  -3.086
  239   1HG2  VAL  31          1HG2      VAL  31   0.579   5.228  -4.014
  240   2HG2  VAL  31          2HG2      VAL  31   1.009   6.919  -3.755
  241   3HG2  VAL  31          3HG2      VAL  31   1.525   6.093  -5.226
  242    H    LEU  32           H        LEU  32   1.574   3.773  -6.005
  243    HA   LEU  32           HA       LEU  32   3.704   4.181  -7.985
  244   1HB   LEU  32          1HB       LEU  32   1.116   2.659  -8.071
  245   2HB   LEU  32          2HB       LEU  32   1.991   3.061  -9.534
  246    HG   LEU  32           HG       LEU  32   3.063   1.387  -7.258
  247   1HD1  LEU  32          1HD1      LEU  32   2.108   0.621 -10.012
  248   2HD1  LEU  32          2HD1      LEU  32   2.902  -0.461  -8.867
  249   3HD1  LEU  32          3HD1      LEU  32   1.324   0.226  -8.483
  250   1HD2  LEU  32          1HD2      LEU  32   4.251   2.042  -9.952
  251   2HD2  LEU  32          2HD2      LEU  32   4.828   2.628  -8.392
  252   3HD2  LEU  32          3HD2      LEU  32   4.919   0.909  -8.778
  253    H    ASP  33           H        ASP  33   0.159   4.557  -8.134
  254    HA   ASP  33           HA       ASP  33   0.476   6.851  -9.862
  255   1HB   ASP  33          1HB       ASP  33  -1.265   5.203 -10.345
  256   2HB   ASP  33          2HB       ASP  33  -2.023   5.530  -8.790
  257    H    ALA  34           H        ALA  34  -1.845   6.537  -7.199
  258    HA   ALA  34           HA       ALA  34  -2.490   7.970  -5.554
  259   1HB   ALA  34          1HB       ALA  34   0.400   8.756  -5.798
  260   2HB   ALA  34          2HB       ALA  34  -0.375   7.781  -4.550
  261   3HB   ALA  34          3HB       ALA  34  -0.686   9.515  -4.635
  262    H    ALA  35           H        ALA  35  -4.043   9.225  -6.416
  263    HA   ALA  35           HA       ALA  35  -3.184  11.733  -7.702
  264   1HB   ALA  35          1HB       ALA  35  -5.122  11.638  -9.155
  265   2HB   ALA  35          2HB       ALA  35  -4.147  10.179  -9.345
  266   3HB   ALA  35          3HB       ALA  35  -5.638  10.127  -8.403
  267    H    HIS  36           H        HIS  36  -6.143  10.278  -6.325
  268    HA   HIS  36           HA       HIS  36  -6.806  12.867  -5.144
  269   1HB   HIS  36          1HB       HIS  36  -8.479  10.351  -5.238
  270   2HB   HIS  36          2HB       HIS  36  -9.026  11.966  -4.801
  271    HD1  HIS  36           HD1      HIS  36  -9.705  13.511  -6.678
  272    HD2  HIS  36           HD2      HIS  36  -7.910  10.016  -8.029
  273    HE1  HIS  36           HE1      HIS  36 -10.040  13.504  -9.171
  274    HE2  HIS  36           HE2      HIS  36  -8.866  11.426  -9.975
  275    HA   PRO  37           HA       PRO  37  -5.390  11.787  -1.078
  276   1HB   PRO  37          1HB       PRO  37  -7.773  13.344  -0.191
  277   2HB   PRO  37          2HB       PRO  37  -6.084  13.544   0.255
  278   1HG   PRO  37          1HG       PRO  37  -7.164  15.239  -1.366
  279   2HG   PRO  37          2HG       PRO  37  -5.542  14.631  -1.715
  280   1HD   PRO  37          1HD       PRO  37  -8.162  13.826  -2.943
  281   2HD   PRO  37          2HD       PRO  37  -6.600  14.136  -3.735
  282    H    LEU  38           H        LEU  38  -8.642  11.209  -2.149
  283    HA   LEU  38           HA       LEU  38  -9.718   9.895   0.064
  284   1HB   LEU  38          1HB       LEU  38 -10.734  10.583  -2.268
  285   2HB   LEU  38          2HB       LEU  38 -10.315   8.940  -2.705
  286    HG   LEU  38           HG       LEU  38 -12.658   9.127  -2.027
  287   1HD1  LEU  38          1HD1      LEU  38 -11.469   7.024  -1.635
  288   2HD1  LEU  38          2HD1      LEU  38 -11.018   7.584  -0.024
  289   3HD1  LEU  38          3HD1      LEU  38 -12.714   7.311  -0.420
  290   1HD2  LEU  38          1HD2      LEU  38 -12.458  10.997  -0.484
  291   2HD2  LEU  38          2HD2      LEU  38 -13.250   9.625   0.291
  292   3HD2  LEU  38          3HD2      LEU  38 -11.560   9.984   0.646
  293    H    ARG  39           H        ARG  39  -8.127   8.458  -2.786
  294    HA   ARG  39           HA       ARG  39  -7.087   6.320  -1.091
  295   1HB   ARG  39          1HB       ARG  39  -7.801   4.611  -2.782
  296   2HB   ARG  39          2HB       ARG  39  -9.123   5.331  -1.873
  297   1HG   ARG  39          1HG       ARG  39  -9.637   6.794  -3.747
  298   2HG   ARG  39          2HG       ARG  39  -8.289   6.112  -4.660
  299   1HD   ARG  39          1HD       ARG  39  -9.347   3.940  -4.673
  300   2HD   ARG  39          2HD       ARG  39 -10.651   4.535  -3.645
  301    HE   ARG  39           HE       ARG  39 -10.964   6.152  -5.674
  302   1HH1  ARG  39          1HH1      ARG  39 -10.178   2.759  -5.756
  303   2HH1  ARG  39          2HH1      ARG  39 -10.941   2.488  -7.287
  304   1HH2  ARG  39          1HH2      ARG  39 -11.968   5.805  -7.690
  305   2HH2  ARG  39          2HH2      ARG  39 -11.959   4.218  -8.386
  306    H    TRP  40           H        TRP  40  -5.136   5.537  -1.741
  307    HA   TRP  40           HA       TRP  40  -4.000   6.714  -4.192
  308   1HB   TRP  40          1HB       TRP  40  -2.744   6.062  -1.532
  309   2HB   TRP  40          2HB       TRP  40  -1.769   6.266  -2.982
  310    HD1  TRP  40           HD1      TRP  40  -4.348   8.707  -3.491
  311    HE1  TRP  40           HE1      TRP  40  -3.665  11.035  -2.633
  312    HE3  TRP  40           HE3      TRP  40  -0.380   7.361  -0.563
  313    HZ2  TRP  40           HZ2      TRP  40  -1.703  12.153  -0.937
  314    HZ3  TRP  40           HZ3      TRP  40   0.847   9.118   0.643
  315    HH2  TRP  40           HH2      TRP  40   0.198  11.465   0.459
  316    H    LEU  41           H        LEU  41  -2.966   5.418  -5.641
  317    HA   LEU  41           HA       LEU  41  -3.436   2.571  -5.392
  318   1HB   LEU  41          1HB       LEU  41  -3.903   3.648  -7.516
  319   2HB   LEU  41          2HB       LEU  41  -2.254   4.232  -7.618
  320    HG   LEU  41           HG       LEU  41  -1.435   1.934  -7.848
  321   1HD1  LEU  41          1HD1      LEU  41  -4.359   1.219  -7.676
  322   2HD1  LEU  41          2HD1      LEU  41  -3.099   0.120  -8.236
  323   3HD1  LEU  41          3HD1      LEU  41  -3.069   0.724  -6.578
  324   1HD2  LEU  41          1HD2      LEU  41  -2.012   3.216  -9.852
  325   2HD2  LEU  41          2HD2      LEU  41  -2.311   1.493 -10.078
  326   3HD2  LEU  41          3HD2      LEU  41  -3.658   2.591  -9.779
  327    H    VAL  42           H        VAL  42  -1.980   1.111  -4.755
  328    HA   VAL  42           HA       VAL  42   0.874   1.790  -4.910
  329    HB   VAL  42           HB       VAL  42   1.294   0.922  -2.683
  330   1HG1  VAL  42          1HG1      VAL  42  -0.866   3.026  -2.713
  331   2HG1  VAL  42          2HG1      VAL  42   0.193   2.678  -1.347
  332   3HG1  VAL  42          3HG1      VAL  42   0.871   3.296  -2.852
  333   1HG2  VAL  42          1HG2      VAL  42  -0.512  -0.714  -2.575
  334   2HG2  VAL  42          2HG2      VAL  42  -0.533   0.345  -1.163
  335   3HG2  VAL  42          3HG2      VAL  42  -1.697   0.589  -2.466
  336    H    ARG  43           H        ARG  43   2.286  -0.116  -4.574
  337    HA   ARG  43           HA       ARG  43   1.036  -2.693  -5.159
  338   1HB   ARG  43          1HB       ARG  43   1.641  -1.651  -7.339
  339   2HB   ARG  43          2HB       ARG  43   3.313  -1.572  -6.803
  340   1HG   ARG  43          1HG       ARG  43   3.427  -3.984  -6.677
  341   2HG   ARG  43          2HG       ARG  43   1.719  -4.109  -7.106
  342   1HD   ARG  43          1HD       ARG  43   3.128  -4.550  -9.038
  343   2HD   ARG  43          2HD       ARG  43   2.192  -3.076  -9.273
  344    HE   ARG  43           HE       ARG  43   4.719  -2.449  -8.187
  345   1HH1  ARG  43          1HH1      ARG  43   3.221  -3.524 -11.142
  346   2HH1  ARG  43          2HH1      ARG  43   4.433  -2.825 -12.163
  347   1HH2  ARG  43          1HH2      ARG  43   6.321  -1.525  -9.521
  348   2HH2  ARG  43          2HH2      ARG  43   6.196  -1.689 -11.240
  349    H    THR  44           H        THR  44   1.734  -3.962  -3.571
  350    HA   THR  44           HA       THR  44   3.923  -3.452  -1.922
  351    HB   THR  44           HB       THR  44   3.644  -5.666  -1.018
  352    HG1  THR  44           HG1      THR  44   3.269  -7.159  -2.485
  353   1HG2  THR  44          1HG2      THR  44   0.980  -4.500  -1.837
  354   2HG2  THR  44          2HG2      THR  44   1.235  -5.654  -0.527
  355   3HG2  THR  44          3HG2      THR  44   1.929  -4.035  -0.424
  356    H    LYS  45           H        LYS  45   5.947  -4.427  -1.710
  357    HA   LYS  45           HA       LYS  45   7.299  -4.891  -4.182
  358   1HB   LYS  45          1HB       LYS  45   8.338  -5.249  -1.368
  359   2HB   LYS  45          2HB       LYS  45   9.305  -5.078  -2.825
  360   1HG   LYS  45          1HG       LYS  45   8.483  -2.801  -3.116
  361   2HG   LYS  45          2HG       LYS  45   7.487  -2.972  -1.671
  362   1HD   LYS  45          1HD       LYS  45  10.474  -3.333  -1.630
  363   2HD   LYS  45          2HD       LYS  45   9.706  -1.762  -1.397
  364   1HE   LYS  45          1HE       LYS  45  10.023  -2.542   0.774
  365   2HE   LYS  45          2HE       LYS  45   8.339  -2.935   0.437
  366   1HZ   LYS  45          1HZ       LYS  45  10.566  -4.866   0.105
  367   2HZ   LYS  45          2HZ       LYS  45   9.639  -4.743   1.515
  368   3HZ   LYS  45          3HZ       LYS  45   8.907  -5.194   0.059
  369    HA   PRO  46           HA       PRO  46   6.833  -9.328  -4.131
  370   1HB   PRO  46          1HB       PRO  46   8.333  -9.934  -6.260
  371   2HB   PRO  46          2HB       PRO  46   6.803  -9.065  -6.433
  372   1HG   PRO  46          1HG       PRO  46   9.599  -8.009  -6.477
  373   2HG   PRO  46          2HG       PRO  46   8.221  -7.568  -7.500
  374   1HD   PRO  46          1HD       PRO  46   9.068  -6.124  -5.304
  375   2HD   PRO  46          2HD       PRO  46   7.426  -6.066  -5.974
  376    H    THR  47           H        THR  47   7.798 -10.452  -2.542
  377    HA   THR  47           HA       THR  47  10.532 -10.178  -1.843
  378    HB   THR  47           HB       THR  47  10.167 -12.051  -0.311
  379    HG1  THR  47           HG1      THR  47   8.455 -13.355  -0.488
  380   1HG2  THR  47          1HG2      THR  47   9.392  -9.827   0.361
  381   2HG2  THR  47          2HG2      THR  47   7.822 -10.147  -0.378
  382   3HG2  THR  47          3HG2      THR  47   8.350 -11.089   1.017
  383    H    LYS  48           H        LYS  48  11.954 -10.675  -3.418
  384    HA   LYS  48           HA       LYS  48  13.292 -11.935  -4.743
  385   1HB   LYS  48          1HB       LYS  48  11.933 -14.256  -3.363
  386   2HB   LYS  48          2HB       LYS  48  13.370 -14.376  -4.370
  387   1HG   LYS  48          1HG       LYS  48  13.184 -12.769  -1.830
  388   2HG   LYS  48          2HG       LYS  48  13.862 -14.392  -1.954
  389   1HD   LYS  48          1HD       LYS  48  14.872 -12.032  -3.535
  390   2HD   LYS  48          2HD       LYS  48  15.549 -12.533  -1.983
  391   1HE   LYS  48          1HE       LYS  48  16.077 -14.729  -2.927
  392   2HE   LYS  48          2HE       LYS  48  15.399 -14.228  -4.475
  393   1HZ   LYS  48          1HZ       LYS  48  17.738 -12.981  -3.135
  394   2HZ   LYS  48          2HZ       LYS  48  17.810 -14.043  -4.449
  395   3HZ   LYS  48          3HZ       LYS  48  17.095 -12.521  -4.631
  396    H    SER  49           H        SER  49  10.543 -14.189  -4.694
  397    HA   SER  49           HA       SER  49  10.007 -13.503  -7.501
  398   1HB   SER  49          1HB       SER  49  10.311 -16.305  -6.395
  399   2HB   SER  49          2HB       SER  49   9.759 -15.915  -8.024
  400    HG   SER  49           HG       SER  49  11.745 -15.275  -8.566
  401    H    SER  50           H        SER  50   8.633 -12.862  -4.978
  402    HA   SER  50           HA       SER  50   6.225 -14.469  -4.989
  403   1HB   SER  50          1HB       SER  50   7.140 -13.569  -2.873
  404   2HB   SER  50          2HB       SER  50   6.849 -11.933  -3.463
  405    HG   SER  50           HG       SER  50   4.878 -13.932  -3.038
  406    HA   PRO  51           HA       PRO  51   4.046 -12.196  -8.107
  407   1HB   PRO  51          1HB       PRO  51   1.506 -12.640  -7.075
  408   2HB   PRO  51          2HB       PRO  51   2.379 -13.746  -8.140
  409   1HG   PRO  51          1HG       PRO  51   2.144 -13.784  -5.157
  410   2HG   PRO  51          2HG       PRO  51   2.069 -15.137  -6.305
  411   1HD   PRO  51          1HD       PRO  51   4.271 -14.672  -4.893
  412   2HD   PRO  51          2HD       PRO  51   4.383 -15.156  -6.600
  413    H    SER  52           H        SER  52   4.184 -10.037  -8.043
  414    HA   SER  52           HA       SER  52   3.594  -8.510  -5.697
  415   1HB   SER  52          1HB       SER  52   5.326  -7.706  -7.157
  416   2HB   SER  52          2HB       SER  52   4.233  -7.697  -8.540
  417    HG   SER  52           HG       SER  52   4.642  -5.621  -7.429
  418    H    ARG  53           H        ARG  53   1.745  -7.574  -5.102
  419    HA   ARG  53           HA       ARG  53  -0.504  -7.641  -7.003
  420   1HB   ARG  53          1HB       ARG  53  -0.890  -9.043  -5.063
  421   2HB   ARG  53          2HB       ARG  53  -0.503  -7.714  -3.980
  422   1HG   ARG  53          1HG       ARG  53  -2.884  -8.026  -4.055
  423   2HG   ARG  53          2HG       ARG  53  -2.473  -6.491  -4.823
  424   1HD   ARG  53          1HD       ARG  53  -2.575  -7.661  -7.029
  425   2HD   ARG  53          2HD       ARG  53  -3.175  -9.089  -6.186
  426    HE   ARG  53           HE       ARG  53  -4.938  -7.260  -5.399
  427   1HH1  ARG  53          1HH1      ARG  53  -3.628  -7.925  -8.557
  428   2HH1  ARG  53          2HH1      ARG  53  -5.050  -7.409  -9.400
  429   1HH2  ARG  53          1HH2      ARG  53  -6.820  -6.579  -6.500
  430   2HH2  ARG  53          2HH2      ARG  53  -6.865  -6.645  -8.230
  431    H    GLN  54           H        GLN  54  -1.639  -5.820  -7.445
  432    HA   GLN  54           HA       GLN  54  -0.786  -3.343  -6.088
  433   1HB   GLN  54          1HB       GLN  54  -0.034  -3.517  -8.453
  434   2HB   GLN  54          2HB       GLN  54  -1.714  -3.650  -8.951
  435   1HG   GLN  54          1HG       GLN  54  -2.071  -1.406  -7.830
  436   2HG   GLN  54          2HG       GLN  54  -0.313  -1.288  -7.749
  437   1HE2  GLN  54          1HE2      GLN  54  -3.099  -1.251  -9.802
  438   2HE2  GLN  54          2HE2      GLN  54  -2.299  -0.705 -11.233
  439    H    GLY  55           H        GLY  55  -2.346  -2.255  -5.058
  440   1HA   GLY  55          1HA       GLY  55  -4.816  -3.041  -4.437
  441   2HA   GLY  55          2HA       GLY  55  -5.090  -2.349  -6.028
  442    H    TRP  56           H        TRP  56  -6.547  -0.917  -4.824
  443    HA   TRP  56           HA       TRP  56  -5.167   1.528  -4.092
  444   1HB   TRP  56          1HB       TRP  56  -8.127   0.932  -4.315
  445   2HB   TRP  56          2HB       TRP  56  -7.422   2.526  -4.068
  446    HD1  TRP  56           HD1      TRP  56  -7.684  -0.223  -6.754
  447    HE1  TRP  56           HE1      TRP  56  -7.306   0.864  -9.057
  448    HE3  TRP  56           HE3      TRP  56  -6.429   4.492  -5.231
  449    HZ2  TRP  56           HZ2      TRP  56  -6.572   3.386 -10.090
  450    HZ3  TRP  56           HZ3      TRP  56  -5.903   6.183  -6.939
  451    HH2  TRP  56           HH2      TRP  56  -5.972   5.640  -9.318
  452    H    VAL  57           H        VAL  57  -5.065   2.408  -2.072
  453    HA   VAL  57           HA       VAL  57  -6.555   1.096   0.090
  454    HB   VAL  57           HB       VAL  57  -4.552   1.151   1.543
  455   1HG1  VAL  57          1HG1      VAL  57  -4.328  -0.490  -0.975
  456   2HG1  VAL  57          2HG1      VAL  57  -3.410  -0.787   0.501
  457   3HG1  VAL  57          3HG1      VAL  57  -5.168  -0.932   0.510
  458   1HG2  VAL  57          1HG2      VAL  57  -3.095   1.812  -1.016
  459   2HG2  VAL  57          2HG2      VAL  57  -3.278   2.869   0.385
  460   3HG2  VAL  57          3HG2      VAL  57  -2.333   1.386   0.517
  461    H    SER  58           H        SER  58  -6.216   2.356   2.205
  462    HA   SER  58           HA       SER  58  -6.738   5.161   1.620
  463   1HB   SER  58          1HB       SER  58  -7.450   5.210   4.048
  464   2HB   SER  58          2HB       SER  58  -8.384   4.127   3.015
  465    HG   SER  58           HG       SER  58  -6.379   2.710   3.930
  466    HA   PRO  59           HA       PRO  59  -2.568   6.097   3.003
  467   1HB   PRO  59          1HB       PRO  59  -2.627   8.751   2.583
  468   2HB   PRO  59          2HB       PRO  59  -2.535   7.596   1.247
  469   1HG   PRO  59          1HG       PRO  59  -4.917   9.060   2.324
  470   2HG   PRO  59          2HG       PRO  59  -4.439   8.791   0.637
  471   1HD   PRO  59          1HD       PRO  59  -6.330   7.298   1.910
  472   2HD   PRO  59          2HD       PRO  59  -5.315   6.668   0.599
  473    H    ALA  60           H        ALA  60  -5.504   7.085   4.421
  474    HA   ALA  60           HA       ALA  60  -4.570   8.863   6.403
  475   1HB   ALA  60          1HB       ALA  60  -6.934   8.657   5.807
  476   2HB   ALA  60          2HB       ALA  60  -6.964   7.033   6.493
  477   3HB   ALA  60          3HB       ALA  60  -6.681   8.425   7.536
  478    H    TYR  61           H        TYR  61  -4.511   5.401   6.140
  479    HA   TYR  61           HA       TYR  61  -3.614   5.173   8.931
  480   1HB   TYR  61          1HB       TYR  61  -4.543   3.001   7.040
  481   2HB   TYR  61          2HB       TYR  61  -4.096   2.776   8.727
  482    HD1  TYR  61           HD1      TYR  61  -5.504   3.890  10.509
  483    HD2  TYR  61           HD2      TYR  61  -6.725   3.657   6.441
  484    HE1  TYR  61           HE1      TYR  61  -7.824   4.344  11.186
  485    HE2  TYR  61           HE2      TYR  61  -9.049   4.112   7.106
  486    HH   TYR  61           HH       TYR  61  -9.889   5.228  10.200
  487    H    LEU  62           H        LEU  62  -2.130   5.972   6.360
  488    HA   LEU  62           HA       LEU  62   0.025   3.971   6.525
  489   1HB   LEU  62          1HB       LEU  62  -1.078   5.593   4.316
  490   2HB   LEU  62          2HB       LEU  62   0.667   5.429   4.341
  491    HG   LEU  62           HG       LEU  62   0.499   3.019   4.216
  492   1HD1  LEU  62          1HD1      LEU  62  -2.488   3.458   4.297
  493   2HD1  LEU  62          2HD1      LEU  62  -1.691   1.916   3.941
  494   3HD1  LEU  62          3HD1      LEU  62  -1.502   2.663   5.535
  495   1HD2  LEU  62          1HD2      LEU  62   0.431   4.327   2.129
  496   2HD2  LEU  62          2HD2      LEU  62  -0.439   2.799   1.996
  497   3HD2  LEU  62          3HD2      LEU  62  -1.331   4.307   2.193
  498    H    ASP  63           H        ASP  63   2.066   4.577   7.049
  499    HA   ASP  63           HA       ASP  63   2.429   7.375   7.879
  500   1HB   ASP  63          1HB       ASP  63   3.911   4.887   8.763
  501   2HB   ASP  63          2HB       ASP  63   4.233   6.520   9.338
  502    H    ARG  64           H        ARG  64   3.831   8.620   6.827
  503    HA   ARG  64           HA       ARG  64   5.137   7.765   4.489
  504   1HB   ARG  64          1HB       ARG  64   4.454  10.093   4.890
  505   2HB   ARG  64          2HB       ARG  64   5.657  10.228   6.163
  506   1HG   ARG  64          1HG       ARG  64   7.444  10.006   4.592
  507   2HG   ARG  64          2HG       ARG  64   6.314   9.632   3.288
  508   1HD   ARG  64          1HD       ARG  64   6.494  12.239   4.794
  509   2HD   ARG  64          2HD       ARG  64   7.080  11.946   3.157
  510    HE   ARG  64           HE       ARG  64   4.303  11.338   3.440
  511   1HH1  ARG  64          1HH1      ARG  64   6.579  13.939   2.988
  512   2HH1  ARG  64          2HH1      ARG  64   5.435  14.974   2.201
  513   1HH2  ARG  64          1HH2      ARG  64   2.791  12.696   2.404
  514   2HH2  ARG  64          2HH2      ARG  64   3.282  14.270   1.872
  515    H    ARG  65           H        ARG  65   6.929   6.623   4.259
  516    HA   ARG  65           HA       ARG  65   9.105   6.947   6.193
  517   1HB   ARG  65          1HB       ARG  65   7.801   4.963   6.877
  518   2HB   ARG  65          2HB       ARG  65   8.048   4.265   5.283
  519   1HG   ARG  65          1HG       ARG  65  10.442   4.163   5.671
  520   2HG   ARG  65          2HG       ARG  65  10.233   4.928   7.248
  521   1HD   ARG  65          1HD       ARG  65   8.782   3.014   7.908
  522   2HD   ARG  65          2HD       ARG  65   9.186   2.238   6.378
  523    HE   ARG  65           HE       ARG  65  11.583   2.442   7.231
  524   1HH1  ARG  65          1HH1      ARG  65   8.807   2.009   9.293
  525   2HH1  ARG  65          2HH1      ARG  65   9.697   1.201  10.538
  526   1HH2  ARG  65          1HH2      ARG  65  12.762   1.376   8.865
  527   2HH2  ARG  65          2HH2      ARG  65  11.944   0.841  10.296
  528    H    LEU  66           H        LEU  66  10.820   7.563   5.066
  529    HA   LEU  66           HA       LEU  66  11.157   6.521   2.337
  530   1HB   LEU  66          1HB       LEU  66  12.528   8.475   1.875
  531   2HB   LEU  66          2HB       LEU  66  10.936   8.944   2.437
  532    HG   LEU  66           HG       LEU  66  13.218   8.816   4.374
  533   1HD1  LEU  66          1HD1      LEU  66  14.026  10.147   2.491
  534   2HD1  LEU  66          2HD1      LEU  66  12.573  11.143   2.568
  535   3HD1  LEU  66          3HD1      LEU  66  13.721  11.155   3.905
  536   1HD2  LEU  66          1HD2      LEU  66  10.707  10.479   4.192
  537   2HD2  LEU  66          2HD2      LEU  66  10.981   9.111   5.269
  538   3HD2  LEU  66          3HD2      LEU  66  11.916  10.592   5.470
  539    H    LYS  67           H        LYS  67  13.047   5.570   1.716
  540    HA   LYS  67           HA       LYS  67  14.899   4.880   3.890
  541   1HB   LYS  67          1HB       LYS  67  14.445   3.524   1.226
  542   2HB   LYS  67          2HB       LYS  67  15.565   2.981   2.467
  543   1HG   LYS  67          1HG       LYS  67  12.578   3.182   2.794
  544   2HG   LYS  67          2HG       LYS  67  13.473   1.700   2.449
  545   1HD   LYS  67          1HD       LYS  67  14.703   1.968   4.558
  546   2HD   LYS  67          2HD       LYS  67  13.779   3.431   4.903
  547   1HE   LYS  67          1HE       LYS  67  12.847   1.544   6.110
  548   2HE   LYS  67          2HE       LYS  67  11.709   2.113   4.888
  549   1HZ   LYS  67          1HZ       LYS  67  13.519  -0.224   4.589
  550   2HZ   LYS  67          2HZ       LYS  67  11.865  -0.305   4.933
  551   3HZ   LYS  67          3HZ       LYS  67  12.390   0.310   3.447
  552    H    LEU  68           H        LEU  68  17.146   4.179   2.722
  553    HA   LEU  68           HA       LEU  68  18.203   6.686   1.738
  554   1HB   LEU  68          1HB       LEU  68  19.639   4.075   2.226
  555   2HB   LEU  68          2HB       LEU  68  20.381   5.645   1.986
  556    HG   LEU  68           HG       LEU  68  18.628   4.919   4.334
  557   1HD1  LEU  68          1HD1      LEU  68  20.731   3.687   4.376
  558   2HD1  LEU  68          2HD1      LEU  68  21.624   5.191   4.156
  559   3HD1  LEU  68          3HD1      LEU  68  20.694   4.926   5.631
  560   1HD2  LEU  68          1HD2      LEU  68  18.575   7.298   3.751
  561   2HD2  LEU  68          2HD2      LEU  68  19.410   7.020   5.280
  562   3HD2  LEU  68          3HD2      LEU  68  20.337   7.350   3.816

  No H/Q in entry =         562
  Start of MODEL   16
    1    H1   ILE   1           H1       ILE   1  12.503   6.854  -5.324
    2    H2   ILE   1           H2       ILE   1  13.495   8.207  -5.540
    3    H3   ILE   1           H3       ILE   1  12.687   7.976  -4.071
    4    HA   ILE   1           HA       ILE   1  11.591   9.672  -5.360
    5    HB   ILE   1           HB       ILE   1  11.227   7.483  -7.412
    6   1HG1  ILE   1          1HG1      ILE   1  12.736  10.102  -7.591
    7   2HG1  ILE   1          2HG1      ILE   1  13.483   8.520  -7.395
    8   1HG2  ILE   1          1HG2      ILE   1  10.221  10.326  -7.387
    9   2HG2  ILE   1          2HG2      ILE   1  10.087   9.205  -8.741
   10   3HG2  ILE   1          3HG2      ILE   1   9.241   8.868  -7.231
   11   1HD1  ILE   1          1HD1      ILE   1  12.570   7.833  -9.558
   12   2HD1  ILE   1          2HD1      ILE   1  11.853   9.432  -9.754
   13   3HD1  ILE   1          3HD1      ILE   1  13.607   9.253  -9.695
   14    H    PHE   2           H        PHE   2  10.615   6.247  -5.458
   15    HA   PHE   2           HA       PHE   2   7.887   6.770  -4.857
   16   1HB   PHE   2          1HB       PHE   2   9.361   4.175  -4.384
   17   2HB   PHE   2          2HB       PHE   2   7.638   4.397  -4.666
   18    HD1  PHE   2           HD1      PHE   2   6.861   5.150  -6.927
   19    HD2  PHE   2           HD2      PHE   2  10.862   3.913  -6.168
   20    HE1  PHE   2           HE1      PHE   2   7.209   4.809  -9.339
   21    HE2  PHE   2           HE2      PHE   2  11.218   3.572  -8.580
   22    HZ   PHE   2           HZ       PHE   2   9.390   4.021 -10.168
   23    H    ASP   3           H        ASP   3   6.765   6.055  -2.889
   24    HA   ASP   3           HA       ASP   3   8.444   6.378  -0.488
   25   1HB   ASP   3          1HB       ASP   3   5.645   7.428  -0.950
   26   2HB   ASP   3          2HB       ASP   3   6.516   7.517   0.579
   27    H    ILE   4           H        ILE   4   8.546   4.480   0.511
   28    HA   ILE   4           HA       ILE   4   6.407   2.552   0.341
   29    HB   ILE   4           HB       ILE   4   8.928   2.372   1.988
   30   1HG1  ILE   4          1HG1      ILE   4   8.482   1.371  -0.833
   31   2HG1  ILE   4          2HG1      ILE   4   9.379   2.833  -0.433
   32   1HG2  ILE   4          1HG2      ILE   4   7.185   0.771   2.570
   33   2HG2  ILE   4          2HG2      ILE   4   7.089   0.253   0.886
   34   3HG2  ILE   4          3HG2      ILE   4   8.560  -0.035   1.814
   35   1HD1  ILE   4          1HD1      ILE   4  10.997   1.500   0.810
   36   2HD1  ILE   4          2HD1      ILE   4  10.098   0.037   0.410
   37   3HD1  ILE   4          3HD1      ILE   4  10.872   0.974  -0.868
   38    H    TYR   5           H        TYR   5   4.696   2.732   1.608
   39    HA   TYR   5           HA       TYR   5   4.926   3.982   4.237
   40   1HB   TYR   5          1HB       TYR   5   2.442   3.079   2.772
   41   2HB   TYR   5          2HB       TYR   5   2.508   4.094   4.209
   42    HD1  TYR   5           HD1      TYR   5   4.658   5.989   3.485
   43    HD2  TYR   5           HD2      TYR   5   1.468   4.434   1.140
   44    HE1  TYR   5           HE1      TYR   5   4.732   7.995   2.065
   45    HE2  TYR   5           HE2      TYR   5   1.535   6.433  -0.287
   46    HH   TYR   5           HH       TYR   5   4.089   8.664  -0.212
   47    H    VAL   6           H        VAL   6   4.341   2.977   6.144
   48    HA   VAL   6           HA       VAL   6   4.171   0.040   6.000
   49    HB   VAL   6           HB       VAL   6   6.192   0.818   7.123
   50   1HG1  VAL   6          1HG1      VAL   6   5.382   2.997   7.869
   51   2HG1  VAL   6          2HG1      VAL   6   4.333   2.209   9.048
   52   3HG1  VAL   6          3HG1      VAL   6   6.085   2.085   9.206
   53   1HG2  VAL   6          1HG2      VAL   6   5.175  -1.252   7.903
   54   2HG2  VAL   6          2HG2      VAL   6   5.933  -0.389   9.242
   55   3HG2  VAL   6          3HG2      VAL   6   4.181  -0.349   9.047
   56    H    VAL   7           H        VAL   7   2.515  -1.008   6.946
   57    HA   VAL   7           HA       VAL   7   0.241   0.530   7.806
   58    HB   VAL   7           HB       VAL   7   0.580  -2.471   7.853
   59   1HG1  VAL   7          1HG1      VAL   7  -1.880  -0.724   7.829
   60   2HG1  VAL   7          2HG1      VAL   7  -1.875  -2.485   7.721
   61   3HG1  VAL   7          3HG1      VAL   7  -1.292  -1.689   9.184
   62   1HG2  VAL   7          1HG2      VAL   7   1.018  -1.619   5.616
   63   2HG2  VAL   7          2HG2      VAL   7  -0.529  -2.466   5.665
   64   3HG2  VAL   7          3HG2      VAL   7  -0.488  -0.702   5.654
   65    H    THR   8           H        THR   8  -0.005   1.259   9.805
   66    HA   THR   8           HA       THR   8   1.079  -0.340  12.032
   67    HB   THR   8           HB       THR   8   1.359   1.767  13.293
   68    HG1  THR   8           HG1      THR   8   0.976   3.709  12.332
   69   1HG2  THR   8          1HG2      THR   8   2.788   1.695  10.633
   70   2HG2  THR   8          2HG2      THR   8   3.313   2.605  12.049
   71   3HG2  THR   8          3HG2      THR   8   3.269   0.842  12.099
   72    H    ALA   9           H        ALA   9  -1.677   0.044  10.629
   73    HA   ALA   9           HA       ALA   9  -3.186   0.255  13.145
   74   1HB   ALA   9          1HB       ALA   9  -3.454   2.356  11.922
   75   2HB   ALA   9          2HB       ALA   9  -4.031   1.466  10.513
   76   3HB   ALA   9          3HB       ALA   9  -4.973   1.463  12.004
   77    H    ASP  10           H        ASP  10  -2.270  -1.720  10.770
   78    HA   ASP  10           HA       ASP  10  -3.017  -3.672   9.875
   79   1HB   ASP  10          1HB       ASP  10  -3.294  -4.290  12.222
   80   2HB   ASP  10          2HB       ASP  10  -4.898  -3.562  12.244
   81    H    TYR  11           H        TYR  11  -3.820  -2.847   7.946
   82    HA   TYR  11           HA       TYR  11  -6.594  -1.981   7.826
   83   1HB   TYR  11          1HB       TYR  11  -4.793  -0.803   6.548
   84   2HB   TYR  11          2HB       TYR  11  -4.599  -2.252   5.569
   85    HD1  TYR  11           HD1      TYR  11  -6.124  -2.757   3.805
   86    HD2  TYR  11           HD2      TYR  11  -6.902   0.503   6.426
   87    HE1  TYR  11           HE1      TYR  11  -7.894  -1.969   2.290
   88    HE2  TYR  11           HE2      TYR  11  -8.674   1.299   4.918
   89    HH   TYR  11           HH       TYR  11  -9.299   1.106   2.547
   90    H    LEU  12           H        LEU  12  -7.806  -3.809   8.198
   91    HA   LEU  12           HA       LEU  12  -7.441  -6.063   6.353
   92   1HB   LEU  12          1HB       LEU  12  -7.475  -6.415   8.870
   93   2HB   LEU  12          2HB       LEU  12  -9.177  -6.002   8.812
   94    HG   LEU  12           HG       LEU  12  -8.107  -8.228   7.110
   95   1HD1  LEU  12          1HD1      LEU  12  -8.946  -8.432   9.998
   96   2HD1  LEU  12          2HD1      LEU  12  -8.659  -9.795   8.917
   97   3HD1  LEU  12          3HD1      LEU  12  -7.330  -8.721   9.355
   98   1HD2  LEU  12          1HD2      LEU  12 -10.790  -7.599   8.336
   99   2HD2  LEU  12          2HD2      LEU  12 -10.352  -7.516   6.630
  100   3HD2  LEU  12          3HD2      LEU  12 -10.415  -9.075   7.447
  101    HA   PRO  13           HA       PRO  13 -10.948  -4.141   4.192
  102   1HB   PRO  13          1HB       PRO  13 -10.616  -6.621   2.588
  103   2HB   PRO  13          2HB       PRO  13 -10.737  -4.943   2.052
  104   1HG   PRO  13          1HG       PRO  13  -8.396  -6.201   2.014
  105   2HG   PRO  13          2HG       PRO  13  -8.497  -4.501   2.516
  106   1HD   PRO  13          1HD       PRO  13  -8.215  -6.961   4.200
  107   2HD   PRO  13          2HD       PRO  13  -7.434  -5.376   4.383
  108    H    LEU  14           H        LEU  14 -12.963  -4.370   4.929
  109    HA   LEU  14           HA       LEU  14 -13.847  -6.834   6.111
  110   1HB   LEU  14          1HB       LEU  14 -15.377  -4.297   5.517
  111   2HB   LEU  14          2HB       LEU  14 -15.955  -5.624   6.505
  112    HG   LEU  14           HG       LEU  14 -13.535  -3.943   7.161
  113   1HD1  LEU  14          1HD1      LEU  14 -16.339  -3.823   8.259
  114   2HD1  LEU  14          2HD1      LEU  14 -14.952  -2.935   8.889
  115   3HD1  LEU  14          3HD1      LEU  14 -15.551  -2.598   7.266
  116   1HD2  LEU  14          1HD2      LEU  14 -15.049  -5.996   8.768
  117   2HD2  LEU  14          2HD2      LEU  14 -13.431  -6.186   8.095
  118   3HD2  LEU  14          3HD2      LEU  14 -13.723  -4.998   9.365
  119    H    GLY  15           H        GLY  15 -13.960  -8.399   4.554
  120   1HA   GLY  15          1HA       GLY  15 -16.156  -8.089   2.626
  121   2HA   GLY  15          2HA       GLY  15 -15.516  -9.617   3.211
  122    H    ALA  16           H        ALA  16 -15.910  -9.249   0.532
  123    HA   ALA  16           HA       ALA  16 -13.144  -9.115  -0.471
  124   1HB   ALA  16          1HB       ALA  16 -15.492 -10.631  -1.606
  125   2HB   ALA  16          2HB       ALA  16 -14.179 -11.323  -0.654
  126   3HB   ALA  16          3HB       ALA  16 -13.848 -10.634  -2.243
  127    H    GLU  17           H        GLU  17 -12.840  -7.122  -1.276
  128    HA   GLU  17           HA       GLU  17 -14.938  -5.953  -2.969
  129   1HB   GLU  17          1HB       GLU  17 -12.543  -4.628  -1.685
  130   2HB   GLU  17          2HB       GLU  17 -13.780  -3.813  -2.631
  131   1HG   GLU  17          1HG       GLU  17 -15.458  -4.412  -0.968
  132   2HG   GLU  17          2HG       GLU  17 -14.227  -5.249  -0.024
  133    H    GLN  18           H        GLN  18 -14.500  -5.238  -5.038
  134    HA   GLN  18           HA       GLN  18 -12.454  -6.643  -6.444
  135   1HB   GLN  18          1HB       GLN  18 -14.292  -4.435  -7.391
  136   2HB   GLN  18          2HB       GLN  18 -13.316  -5.465  -8.428
  137   1HG   GLN  18          1HG       GLN  18 -15.539  -6.397  -6.625
  138   2HG   GLN  18          2HG       GLN  18 -15.655  -6.162  -8.368
  139   1HE2  GLN  18          1HE2      GLN  18 -14.642  -7.611  -9.749
  140   2HE2  GLN  18          2HE2      GLN  18 -14.085  -9.158  -9.215
  141    H    ASP  19           H        ASP  19 -10.641  -5.848  -7.491
  142    HA   ASP  19           HA       ASP  19  -8.776  -4.583  -7.773
  143   1HB   ASP  19          1HB       ASP  19 -10.662  -2.260  -7.319
  144   2HB   ASP  19          2HB       ASP  19  -9.055  -2.162  -8.034
  145    H    ALA  20           H        ALA  20  -9.971  -5.220  -4.965
  146    HA   ALA  20           HA       ALA  20  -8.388  -3.289  -3.417
  147   1HB   ALA  20          1HB       ALA  20 -10.723  -3.552  -2.735
  148   2HB   ALA  20          2HB       ALA  20 -10.449  -5.272  -2.461
  149   3HB   ALA  20          3HB       ALA  20  -9.617  -4.078  -1.466
  150    H    ILE  21           H        ILE  21  -6.949  -4.027  -1.782
  151    HA   ILE  21           HA       ILE  21  -6.062  -6.816  -2.079
  152    HB   ILE  21           HB       ILE  21  -4.536  -5.356  -3.340
  153   1HG1  ILE  21          1HG1      ILE  21  -3.214  -6.358  -0.811
  154   2HG1  ILE  21          2HG1      ILE  21  -3.740  -7.411  -2.120
  155   1HG2  ILE  21          1HG2      ILE  21  -4.868  -3.309  -2.043
  156   2HG2  ILE  21          2HG2      ILE  21  -4.007  -4.030  -0.682
  157   3HG2  ILE  21          3HG2      ILE  21  -3.155  -3.707  -2.193
  158   1HD1  ILE  21          1HD1      ILE  21  -1.697  -5.213  -2.353
  159   2HD1  ILE  21          2HD1      ILE  21  -1.353  -6.940  -2.233
  160   3HD1  ILE  21          3HD1      ILE  21  -2.203  -6.304  -3.642
  161    H    THR  22           H        THR  22  -5.345  -7.825  -0.230
  162    HA   THR  22           HA       THR  22  -6.116  -6.561   2.266
  163    HB   THR  22           HB       THR  22  -5.701  -8.757   3.285
  164    HG1  THR  22           HG1      THR  22  -4.602 -10.259   2.250
  165   1HG2  THR  22          1HG2      THR  22  -7.302  -8.887   0.727
  166   2HG2  THR  22          2HG2      THR  22  -7.425 -10.027   2.066
  167   3HG2  THR  22          3HG2      THR  22  -7.887  -8.341   2.298
  168    H    LEU  23           H        LEU  23  -4.777  -5.874   3.842
  169    HA   LEU  23           HA       LEU  23  -1.891  -6.347   3.507
  170   1HB   LEU  23          1HB       LEU  23  -3.288  -3.758   4.159
  171   2HB   LEU  23          2HB       LEU  23  -1.574  -4.010   4.429
  172    HG   LEU  23           HG       LEU  23  -2.946  -4.163   1.742
  173   1HD1  LEU  23          1HD1      LEU  23  -1.234  -2.014   2.978
  174   2HD1  LEU  23          2HD1      LEU  23  -1.726  -2.066   1.286
  175   3HD1  LEU  23          3HD1      LEU  23  -2.940  -1.893   2.553
  176   1HD2  LEU  23          1HD2      LEU  23  -0.034  -4.298   2.518
  177   2HD2  LEU  23          2HD2      LEU  23  -1.003  -5.602   1.830
  178   3HD2  LEU  23          3HD2      LEU  23  -0.640  -4.170   0.866
  179    H    ARG  24           H        ARG  24  -0.631  -6.117   5.476
  180    HA   ARG  24           HA       ARG  24  -2.216  -6.542   7.921
  181   1HB   ARG  24          1HB       ARG  24   0.343  -7.974   7.177
  182   2HB   ARG  24          2HB       ARG  24  -0.555  -8.181   8.675
  183   1HG   ARG  24          1HG       ARG  24  -1.251 -10.002   7.475
  184   2HG   ARG  24          2HG       ARG  24  -2.515  -8.834   7.085
  185   1HD   ARG  24          1HD       ARG  24  -1.760 -10.004   5.084
  186   2HD   ARG  24          2HD       ARG  24  -1.365  -8.287   4.996
  187    HE   ARG  24           HE       ARG  24   0.818  -9.722   6.063
  188   1HH1  ARG  24          1HH1      ARG  24  -0.879  -9.194   3.064
  189   2HH1  ARG  24          2HH1      ARG  24   0.512  -9.493   2.077
  190   1HH2  ARG  24          1HH2      ARG  24   2.654 -10.116   4.768
  191   2HH2  ARG  24          2HH2      ARG  24   2.519 -10.016   3.044
  192    H    GLU  25           H        GLU  25  -1.403  -5.678   9.819
  193    HA   GLU  25           HA       GLU  25   0.120  -3.331   9.610
  194   1HB   GLU  25          1HB       GLU  25  -1.459  -3.614  11.411
  195   2HB   GLU  25          2HB       GLU  25  -0.587  -5.013  12.016
  196   1HG   GLU  25          1HG       GLU  25   1.316  -3.585  12.575
  197   2HG   GLU  25          2HG       GLU  25   0.438  -2.183  11.965
  198    H    GLY  26           H        GLY  26   2.179  -3.355   8.952
  199   1HA   GLY  26          1HA       GLY  26   4.003  -5.308  10.214
  200   2HA   GLY  26          2HA       GLY  26   4.434  -3.614  10.037
  201    H    GLN  27           H        GLN  27   2.843  -3.952   7.331
  202    HA   GLN  27           HA       GLN  27   4.933  -5.328   5.824
  203   1HB   GLN  27          1HB       GLN  27   2.072  -4.998   5.569
  204   2HB   GLN  27          2HB       GLN  27   2.893  -4.511   4.099
  205   1HG   GLN  27          1HG       GLN  27   3.195  -7.159   5.488
  206   2HG   GLN  27          2HG       GLN  27   2.230  -6.857   4.044
  207   1HE2  GLN  27          1HE2      GLN  27   3.266  -6.487   2.080
  208   2HE2  GLN  27          2HE2      GLN  27   4.927  -6.886   1.830
  209    H    TYR  28           H        TYR  28   5.458  -4.315   3.659
  210    HA   TYR  28           HA       TYR  28   5.544  -1.378   3.840
  211   1HB   TYR  28          1HB       TYR  28   7.837  -3.078   2.854
  212   2HB   TYR  28          2HB       TYR  28   7.838  -1.343   3.143
  213    HD1  TYR  28           HD1      TYR  28   8.165  -4.633   4.646
  214    HD2  TYR  28           HD2      TYR  28   7.841  -0.469   5.455
  215    HE1  TYR  28           HE1      TYR  28   8.975  -5.022   6.934
  216    HE2  TYR  28           HE2      TYR  28   8.651  -0.846   7.746
  217    HH   TYR  28           HH       TYR  28  10.041  -3.800   8.743
  218    H    VAL  29           H        VAL  29   5.175  -0.287   1.966
  219    HA   VAL  29           HA       VAL  29   5.392  -1.564  -0.604
  220    HB   VAL  29           HB       VAL  29   3.271  -2.494  -0.056
  221   1HG1  VAL  29          1HG1      VAL  29   2.709  -1.050   1.823
  222   2HG1  VAL  29          2HG1      VAL  29   2.391   0.285   0.716
  223   3HG1  VAL  29          3HG1      VAL  29   1.366  -1.149   0.685
  224   1HG2  VAL  29          1HG2      VAL  29   3.516  -1.518  -2.325
  225   2HG2  VAL  29          2HG2      VAL  29   1.845  -1.578  -1.766
  226   3HG2  VAL  29          3HG2      VAL  29   2.729  -0.052  -1.741
  227    H    GLU  30           H        GLU  30   6.091  -0.049  -1.966
  228    HA   GLU  30           HA       GLU  30   5.953   2.733  -1.330
  229   1HB   GLU  30          1HB       GLU  30   7.118   3.032  -3.507
  230   2HB   GLU  30          2HB       GLU  30   7.923   1.897  -2.435
  231   1HG   GLU  30          1HG       GLU  30   6.906   0.036  -3.686
  232   2HG   GLU  30          2HG       GLU  30   6.184   1.205  -4.790
  233    H    VAL  31           H        VAL  31   5.002   4.393  -2.625
  234    HA   VAL  31           HA       VAL  31   2.431   3.587  -3.725
  235    HB   VAL  31           HB       VAL  31   2.479   5.439  -2.119
  236   1HG1  VAL  31          1HG1      VAL  31   4.118   6.870  -4.208
  237   2HG1  VAL  31          2HG1      VAL  31   3.450   7.605  -2.751
  238   3HG1  VAL  31          3HG1      VAL  31   4.675   6.343  -2.621
  239   1HG2  VAL  31          1HG2      VAL  31   0.705   5.372  -3.794
  240   2HG2  VAL  31          2HG2      VAL  31   1.136   7.035  -3.398
  241   3HG2  VAL  31          3HG2      VAL  31   1.704   6.312  -4.902
  242    H    LEU  32           H        LEU  32   1.737   4.001  -5.797
  243    HA   LEU  32           HA       LEU  32   3.867   4.535  -7.743
  244   1HB   LEU  32          1HB       LEU  32   1.135   3.326  -8.178
  245   2HB   LEU  32          2HB       LEU  32   2.402   3.471  -9.380
  246    HG   LEU  32           HG       LEU  32   2.587   1.792  -6.878
  247   1HD1  LEU  32          1HD1      LEU  32   0.923   0.942  -8.467
  248   2HD1  LEU  32          2HD1      LEU  32   2.143   0.958  -9.741
  249   3HD1  LEU  32          3HD1      LEU  32   2.330  -0.115  -8.355
  250   1HD2  LEU  32          1HD2      LEU  32   4.405   2.012  -9.276
  251   2HD2  LEU  32          2HD2      LEU  32   4.756   2.589  -7.646
  252   3HD2  LEU  32          3HD2      LEU  32   4.584   0.860  -7.952
  253    H    ASP  33           H        ASP  33   0.359   4.951  -8.025
  254    HA   ASP  33           HA       ASP  33   0.828   7.632  -9.108
  255   1HB   ASP  33          1HB       ASP  33  -0.422   6.072 -10.535
  256   2HB   ASP  33          2HB       ASP  33  -1.627   5.874  -9.266
  257    H    ALA  34           H        ALA  34   0.141   9.426  -8.106
  258    HA   ALA  34           HA       ALA  34  -1.708   9.142  -5.836
  259   1HB   ALA  34          1HB       ALA  34   0.786  10.839  -5.840
  260   2HB   ALA  34          2HB       ALA  34   0.581   9.317  -4.974
  261   3HB   ALA  34          3HB       ALA  34  -0.392  10.720  -4.534
  262    H    ALA  35           H        ALA  35  -3.413  10.430  -6.016
  263    HA   ALA  35           HA       ALA  35  -3.159  13.101  -7.109
  264   1HB   ALA  35          1HB       ALA  35  -4.888  12.806  -8.808
  265   2HB   ALA  35          2HB       ALA  35  -3.502  11.761  -9.122
  266   3HB   ALA  35          3HB       ALA  35  -4.977  11.086  -8.428
  267    H    HIS  36           H        HIS  36  -5.691  10.687  -6.374
  268    HA   HIS  36           HA       HIS  36  -7.223  12.739  -4.988
  269   1HB   HIS  36          1HB       HIS  36  -7.862   9.870  -5.689
  270   2HB   HIS  36          2HB       HIS  36  -8.957  10.936  -4.814
  271    HD1  HIS  36           HD1      HIS  36 -10.105  12.820  -6.159
  272    HD2  HIS  36           HD2      HIS  36  -7.642  10.366  -8.433
  273    HE1  HIS  36           HE1      HIS  36 -10.661  13.348  -8.553
  274    HE2  HIS  36           HE2      HIS  36  -9.219  11.790  -9.912
  275    HA   PRO  37           HA       PRO  37  -5.346  11.630  -1.050
  276   1HB   PRO  37          1HB       PRO  37  -7.855  12.953  -0.111
  277   2HB   PRO  37          2HB       PRO  37  -6.196  13.224   0.403
  278   1HG   PRO  37          1HG       PRO  37  -7.326  14.952  -1.143
  279   2HG   PRO  37          2HG       PRO  37  -5.661  14.462  -1.476
  280   1HD   PRO  37          1HD       PRO  37  -8.186  13.631  -2.863
  281   2HD   PRO  37          2HD       PRO  37  -6.595  14.015  -3.556
  282    H    LEU  38           H        LEU  38  -8.602  10.892  -2.069
  283    HA   LEU  38           HA       LEU  38  -9.487   9.347   0.071
  284   1HB   LEU  38          1HB       LEU  38 -10.092   9.346  -2.861
  285   2HB   LEU  38          2HB       LEU  38 -10.767   8.096  -1.835
  286    HG   LEU  38           HG       LEU  38 -12.353   9.923  -2.193
  287   1HD1  LEU  38          1HD1      LEU  38 -11.325   9.776   0.635
  288   2HD1  LEU  38          2HD1      LEU  38 -12.914  10.362   0.147
  289   3HD1  LEU  38          3HD1      LEU  38 -12.478   8.673  -0.116
  290   1HD2  LEU  38          1HD2      LEU  38 -10.758  11.744  -2.501
  291   2HD2  LEU  38          2HD2      LEU  38 -11.942  12.138  -1.256
  292   3HD2  LEU  38          3HD2      LEU  38 -10.311  11.650  -0.798
  293    H    ARG  39           H        ARG  39  -8.111   8.088  -2.983
  294    HA   ARG  39           HA       ARG  39  -6.759   5.999  -1.449
  295   1HB   ARG  39          1HB       ARG  39  -7.578   4.237  -2.948
  296   2HB   ARG  39          2HB       ARG  39  -8.895   5.008  -2.076
  297   1HG   ARG  39          1HG       ARG  39  -9.384   6.366  -4.073
  298   2HG   ARG  39          2HG       ARG  39  -8.111   5.506  -4.941
  299   1HD   ARG  39          1HD       ARG  39 -10.277   4.551  -5.467
  300   2HD   ARG  39          2HD       ARG  39  -9.302   3.391  -4.564
  301    HE   ARG  39           HE       ARG  39 -10.740   4.608  -2.631
  302   1HH1  ARG  39          1HH1      ARG  39 -11.614   3.096  -5.645
  303   2HH1  ARG  39          2HH1      ARG  39 -13.177   2.596  -5.090
  304   1HH2  ARG  39          1HH2      ARG  39 -12.795   3.955  -1.890
  305   2HH2  ARG  39          2HH2      ARG  39 -13.849   3.086  -2.956
  306    H    TRP  40           H        TRP  40  -4.894   5.225  -2.365
  307    HA   TRP  40           HA       TRP  40  -4.087   6.456  -4.919
  308   1HB   TRP  40          1HB       TRP  40  -2.475   5.996  -2.411
  309   2HB   TRP  40          2HB       TRP  40  -1.721   6.299  -3.972
  310    HD1  TRP  40           HD1      TRP  40  -4.214   8.524  -4.620
  311    HE1  TRP  40           HE1      TRP  40  -3.861  10.883  -3.652
  312    HE3  TRP  40           HE3      TRP  40  -0.704   7.428  -1.069
  313    HZ2  TRP  40           HZ2      TRP  40  -2.301  12.115  -1.651
  314    HZ3  TRP  40           HZ3      TRP  40   0.170   9.255   0.330
  315    HH2  TRP  40           HH2      TRP  40  -0.612  11.550   0.042
  316    H    LEU  41           H        LEU  41  -2.707   5.239  -6.274
  317    HA   LEU  41           HA       LEU  41  -3.181   2.391  -6.125
  318   1HB   LEU  41          1HB       LEU  41  -3.388   3.544  -8.263
  319   2HB   LEU  41          2HB       LEU  41  -1.723   4.085  -8.160
  320    HG   LEU  41           HG       LEU  41  -0.974   1.727  -8.301
  321   1HD1  LEU  41          1HD1      LEU  41  -3.907   1.173  -8.732
  322   2HD1  LEU  41          2HD1      LEU  41  -2.602   0.019  -9.011
  323   3HD1  LEU  41          3HD1      LEU  41  -2.916   0.619  -7.383
  324   1HD2  LEU  41          1HD2      LEU  41  -1.091   3.102 -10.309
  325   2HD2  LEU  41          2HD2      LEU  41  -1.496   1.425 -10.671
  326   3HD2  LEU  41          3HD2      LEU  41  -2.774   2.633 -10.546
  327    H    VAL  42           H        VAL  42  -1.859   1.047  -5.075
  328    HA   VAL  42           HA       VAL  42   1.025   1.627  -5.071
  329    HB   VAL  42           HB       VAL  42   1.232   0.928  -2.754
  330   1HG1  VAL  42          1HG1      VAL  42   0.815   3.307  -3.256
  331   2HG1  VAL  42          2HG1      VAL  42  -0.910   3.035  -3.019
  332   3HG1  VAL  42          3HG1      VAL  42   0.208   2.832  -1.671
  333   1HG2  VAL  42          1HG2      VAL  42  -1.776   0.676  -2.781
  334   2HG2  VAL  42          2HG2      VAL  42  -0.620  -0.651  -2.654
  335   3HG2  VAL  42          3HG2      VAL  42  -0.746   0.537  -1.357
  336    H    ARG  43           H        ARG  43   2.398  -0.177  -4.997
  337    HA   ARG  43           HA       ARG  43   1.100  -2.801  -5.246
  338   1HB   ARG  43          1HB       ARG  43   2.458  -3.416  -7.112
  339   2HB   ARG  43          2HB       ARG  43   1.724  -1.867  -7.493
  340   1HG   ARG  43          1HG       ARG  43   3.806  -0.728  -6.940
  341   2HG   ARG  43          2HG       ARG  43   4.547  -2.275  -6.528
  342   1HD   ARG  43          1HD       ARG  43   4.036  -3.021  -8.875
  343   2HD   ARG  43          2HD       ARG  43   3.582  -1.354  -9.227
  344    HE   ARG  43           HE       ARG  43   6.118  -1.273  -8.119
  345   1HH1  ARG  43          1HH1      ARG  43   4.583  -2.616 -10.944
  346   2HH1  ARG  43          2HH1      ARG  43   6.011  -2.533 -11.919
  347   1HH2  ARG  43          1HH2      ARG  43   8.006  -1.162  -9.395
  348   2HH2  ARG  43          2HH2      ARG  43   7.958  -1.707 -11.038
  349    H    THR  44           H        THR  44   1.902  -4.234  -3.862
  350    HA   THR  44           HA       THR  44   4.092  -3.582  -2.167
  351    HB   THR  44           HB       THR  44   3.749  -5.714  -1.110
  352    HG1  THR  44           HG1      THR  44   2.811  -6.399  -3.582
  353   1HG2  THR  44          1HG2      THR  44   2.066  -3.945  -0.694
  354   2HG2  THR  44          2HG2      THR  44   1.068  -4.627  -1.979
  355   3HG2  THR  44          3HG2      THR  44   1.401  -5.571  -0.526
  356    H    LYS  45           H        LYS  45   6.108  -4.570  -1.979
  357    HA   LYS  45           HA       LYS  45   7.397  -5.185  -4.419
  358   1HB   LYS  45          1HB       LYS  45   8.337  -5.567  -1.574
  359   2HB   LYS  45          2HB       LYS  45   9.361  -5.687  -2.997
  360   1HG   LYS  45          1HG       LYS  45   8.967  -3.354  -3.515
  361   2HG   LYS  45          2HG       LYS  45   7.866  -3.217  -2.144
  362   1HD   LYS  45          1HD       LYS  45   9.839  -2.356  -1.287
  363   2HD   LYS  45          2HD       LYS  45   9.894  -4.037  -0.752
  364   1HE   LYS  45          1HE       LYS  45  11.296  -2.889  -3.165
  365   2HE   LYS  45          2HE       LYS  45  12.053  -3.316  -1.632
  366   1HZ   LYS  45          1HZ       LYS  45  11.327  -5.630  -2.026
  367   2HZ   LYS  45          2HZ       LYS  45  10.766  -5.174  -3.556
  368   3HZ   LYS  45          3HZ       LYS  45  12.414  -5.068  -3.195
  369    HA   PRO  46           HA       PRO  46   6.168  -9.530  -4.414
  370   1HB   PRO  46          1HB       PRO  46   7.349 -10.169  -6.777
  371   2HB   PRO  46          2HB       PRO  46   5.795  -9.335  -6.673
  372   1HG   PRO  46          1HG       PRO  46   8.525  -8.200  -7.149
  373   2HG   PRO  46          2HG       PRO  46   6.996  -7.812  -7.960
  374   1HD   PRO  46          1HD       PRO  46   8.034  -6.251  -6.018
  375   2HD   PRO  46          2HD       PRO  46   6.282  -6.450  -6.237
  376    H    THR  47           H        THR  47   7.255 -11.565  -4.270
  377    HA   THR  47           HA       THR  47  10.110 -11.308  -3.584
  378    HB   THR  47           HB       THR  47   9.840 -13.199  -2.074
  379    HG1  THR  47           HG1      THR  47   7.165 -13.369  -1.968
  380   1HG2  THR  47          1HG2      THR  47   7.718 -11.095  -1.632
  381   2HG2  THR  47          2HG2      THR  47   8.374 -12.168  -0.395
  382   3HG2  THR  47          3HG2      THR  47   9.415 -10.972  -1.167
  383    H    LYS  48           H        LYS  48  10.870 -13.900  -3.475
  384    HA   LYS  48           HA       LYS  48  11.133 -14.565  -6.249
  385   1HB   LYS  48          1HB       LYS  48  12.052 -16.072  -3.794
  386   2HB   LYS  48          2HB       LYS  48  12.566 -16.392  -5.445
  387   1HG   LYS  48          1HG       LYS  48  13.611 -14.203  -5.568
  388   2HG   LYS  48          2HG       LYS  48  13.059 -13.833  -3.934
  389   1HD   LYS  48          1HD       LYS  48  14.755 -16.244  -4.479
  390   2HD   LYS  48          2HD       LYS  48  15.486 -14.652  -4.275
  391   1HE   LYS  48          1HE       LYS  48  15.517 -15.759  -2.156
  392   2HE   LYS  48          2HE       LYS  48  14.317 -14.472  -2.082
  393   1HZ   LYS  48          1HZ       LYS  48  13.667 -17.318  -2.613
  394   2HZ   LYS  48          2HZ       LYS  48  13.581 -16.596  -1.086
  395   3HZ   LYS  48          3HZ       LYS  48  12.572 -16.060  -2.335
  396    H    SER  49           H        SER  49   8.625 -15.034  -4.258
  397    HA   SER  49           HA       SER  49   7.719 -17.367  -5.754
  398   1HB   SER  49          1HB       SER  49   6.888 -18.477  -3.707
  399   2HB   SER  49          2HB       SER  49   8.645 -18.322  -3.703
  400    HG   SER  49           HG       SER  49   7.065 -16.330  -2.508
  401    H    SER  50           H        SER  50   7.179 -14.324  -4.576
  402    HA   SER  50           HA       SER  50   4.253 -14.652  -4.720
  403   1HB   SER  50          1HB       SER  50   5.843 -12.557  -3.224
  404   2HB   SER  50          2HB       SER  50   4.085 -12.612  -3.330
  405    HG   SER  50           HG       SER  50   5.429 -13.702  -1.484
  406    HA   PRO  51           HA       PRO  51   4.726 -12.299  -8.509
  407   1HB   PRO  51          1HB       PRO  51   2.049 -12.060  -9.000
  408   2HB   PRO  51          2HB       PRO  51   2.983 -13.516  -9.368
  409   1HG   PRO  51          1HG       PRO  51   1.268 -12.930  -6.979
  410   2HG   PRO  51          2HG       PRO  51   1.333 -14.399  -7.972
  411   1HD   PRO  51          1HD       PRO  51   2.588 -14.263  -5.619
  412   2HD   PRO  51          2HD       PRO  51   3.317 -15.112  -6.998
  413    H    SER  52           H        SER  52   4.188 -10.168  -9.251
  414    HA   SER  52           HA       SER  52   4.005  -8.257  -7.123
  415   1HB   SER  52          1HB       SER  52   4.236  -6.575  -8.906
  416   2HB   SER  52          2HB       SER  52   5.441  -7.850  -9.074
  417    HG   SER  52           HG       SER  52   4.650  -8.251 -10.965
  418    H    ARG  53           H        ARG  53   2.185  -7.550  -6.243
  419    HA   ARG  53           HA       ARG  53  -0.250  -7.485  -7.904
  420   1HB   ARG  53          1HB       ARG  53  -0.087  -7.887  -4.911
  421   2HB   ARG  53          2HB       ARG  53  -1.553  -7.882  -5.880
  422   1HG   ARG  53          1HG       ARG  53   0.683  -9.878  -6.158
  423   2HG   ARG  53          2HG       ARG  53  -0.807 -10.144  -5.252
  424   1HD   ARG  53          1HD       ARG  53  -0.647  -9.529  -8.200
  425   2HD   ARG  53          2HD       ARG  53  -0.873 -11.135  -7.510
  426    HE   ARG  53           HE       ARG  53  -2.870  -9.435  -6.517
  427   1HH1  ARG  53          1HH1      ARG  53  -1.883 -10.936  -9.506
  428   2HH1  ARG  53          2HH1      ARG  53  -3.490 -11.010 -10.147
  429   1HH2  ARG  53          1HH2      ARG  53  -4.989  -9.533  -7.356
  430   2HH2  ARG  53          2HH2      ARG  53  -5.254 -10.214  -8.927
  431    H    GLN  54           H        GLN  54  -1.782  -5.780  -7.416
  432    HA   GLN  54           HA       GLN  54  -0.747  -3.523  -5.886
  433   1HB   GLN  54          1HB       GLN  54  -1.272  -1.970  -7.782
  434   2HB   GLN  54          2HB       GLN  54   0.121  -3.011  -8.047
  435   1HG   GLN  54          1HG       GLN  54  -1.417  -4.546  -9.317
  436   2HG   GLN  54          2HG       GLN  54  -2.628  -3.270  -9.230
  437   1HE2  GLN  54          1HE2      GLN  54  -0.676  -1.119  -9.502
  438   2HE2  GLN  54          2HE2      GLN  54  -0.169  -1.133 -11.150
  439    H    GLY  55           H        GLY  55  -2.289  -2.394  -4.866
  440   1HA   GLY  55          1HA       GLY  55  -4.722  -3.195  -4.205
  441   2HA   GLY  55          2HA       GLY  55  -5.054  -2.510  -5.789
  442    H    TRP  56           H        TRP  56  -6.412  -0.921  -4.870
  443    HA   TRP  56           HA       TRP  56  -5.037   1.475  -4.135
  444   1HB   TRP  56          1HB       TRP  56  -8.012   0.940  -4.092
  445   2HB   TRP  56          2HB       TRP  56  -7.225   2.514  -4.117
  446    HD1  TRP  56           HD1      TRP  56  -8.015  -0.473  -6.385
  447    HE1  TRP  56           HE1      TRP  56  -7.756   0.271  -8.836
  448    HE3  TRP  56           HE3      TRP  56  -6.047   4.184  -5.616
  449    HZ2  TRP  56           HZ2      TRP  56  -6.839   2.534 -10.254
  450    HZ3  TRP  56           HZ3      TRP  56  -5.507   5.573  -7.574
  451    HH2  TRP  56           HH2      TRP  56  -5.895   4.764  -9.843
  452    H    VAL  57           H        VAL  57  -4.687   2.330  -2.181
  453    HA   VAL  57           HA       VAL  57  -6.030   1.108   0.137
  454    HB   VAL  57           HB       VAL  57  -3.970   1.345   1.443
  455   1HG1  VAL  57          1HG1      VAL  57  -4.426  -0.784   0.356
  456   2HG1  VAL  57          2HG1      VAL  57  -3.595  -0.235  -1.099
  457   3HG1  VAL  57          3HG1      VAL  57  -2.692  -0.467   0.397
  458   1HG2  VAL  57          1HG2      VAL  57  -2.732   2.201  -1.173
  459   2HG2  VAL  57          2HG2      VAL  57  -2.944   3.198   0.266
  460   3HG2  VAL  57          3HG2      VAL  57  -1.838   1.825   0.300
  461    H    SER  58           H        SER  58  -5.832   2.515   2.127
  462    HA   SER  58           HA       SER  58  -6.413   5.277   1.353
  463   1HB   SER  58          1HB       SER  58  -6.992   3.787   3.924
  464   2HB   SER  58          2HB       SER  58  -7.452   5.457   3.598
  465    HG   SER  58           HG       SER  58  -8.494   3.084   2.572
  466    HA   PRO  59           HA       PRO  59  -2.322   6.233   3.007
  467   1HB   PRO  59          1HB       PRO  59  -2.375   8.883   2.416
  468   2HB   PRO  59          2HB       PRO  59  -2.025   7.636   1.214
  469   1HG   PRO  59          1HG       PRO  59  -4.593   9.077   1.754
  470   2HG   PRO  59          2HG       PRO  59  -3.834   8.687   0.199
  471   1HD   PRO  59          1HD       PRO  59  -5.872   7.234   1.218
  472   2HD   PRO  59          2HD       PRO  59  -4.584   6.506   0.237
  473    H    ALA  60           H        ALA  60  -5.376   7.206   4.074
  474    HA   ALA  60           HA       ALA  60  -4.550   9.077   6.082
  475   1HB   ALA  60          1HB       ALA  60  -6.801   9.135   5.126
  476   2HB   ALA  60          2HB       ALA  60  -7.138   7.551   5.822
  477   3HB   ALA  60          3HB       ALA  60  -6.849   8.934   6.877
  478    H    TYR  61           H        TYR  61  -4.128   5.811   5.809
  479    HA   TYR  61           HA       TYR  61  -3.985   5.486   8.734
  480   1HB   TYR  61          1HB       TYR  61  -4.741   3.396   6.682
  481   2HB   TYR  61          2HB       TYR  61  -4.478   3.076   8.393
  482    HD1  TYR  61           HD1      TYR  61  -6.022   4.109  10.079
  483    HD2  TYR  61           HD2      TYR  61  -6.814   4.230   5.901
  484    HE1  TYR  61           HE1      TYR  61  -8.380   4.623  10.547
  485    HE2  TYR  61           HE2      TYR  61  -9.176   4.746   6.358
  486    HH   TYR  61           HH       TYR  61 -10.803   4.457   8.187
  487    H    LEU  62           H        LEU  62  -2.213   5.861   6.048
  488    HA   LEU  62           HA       LEU  62  -0.099   4.004   6.904
  489   1HB   LEU  62          1HB       LEU  62  -0.989   5.001   4.275
  490   2HB   LEU  62          2HB       LEU  62   0.746   4.913   4.493
  491    HG   LEU  62           HG       LEU  62   0.693   2.564   4.829
  492   1HD1  LEU  62          1HD1      LEU  62  -2.315   2.814   4.959
  493   2HD1  LEU  62          2HD1      LEU  62  -1.420   1.284   4.913
  494   3HD1  LEU  62          3HD1      LEU  62  -1.226   2.383   6.289
  495   1HD2  LEU  62          1HD2      LEU  62  -1.220   3.330   2.630
  496   2HD2  LEU  62          2HD2      LEU  62   0.534   3.198   2.512
  497   3HD2  LEU  62          3HD2      LEU  62  -0.441   1.756   2.787
  498    H    ASP  63           H        ASP  63   2.009   4.734   7.172
  499    HA   ASP  63           HA       ASP  63   2.241   7.631   7.613
  500   1HB   ASP  63          1HB       ASP  63   2.627   6.259   9.600
  501   2HB   ASP  63          2HB       ASP  63   3.868   5.345   8.748
  502    H    ARG  64           H        ARG  64   4.009   8.785   6.828
  503    HA   ARG  64           HA       ARG  64   5.142   7.740   4.399
  504   1HB   ARG  64          1HB       ARG  64   4.433  10.067   4.498
  505   2HB   ARG  64          2HB       ARG  64   5.566  10.380   5.807
  506   1HG   ARG  64          1HG       ARG  64   7.438  10.001   4.342
  507   2HG   ARG  64          2HG       ARG  64   6.358   9.522   3.031
  508   1HD   ARG  64          1HD       ARG  64   7.108  11.802   2.705
  509   2HD   ARG  64          2HD       ARG  64   5.377  11.774   3.039
  510    HE   ARG  64           HE       ARG  64   6.599  12.157   5.474
  511   1HH1  ARG  64          1HH1      ARG  64   6.502  13.814   2.410
  512   2HH1  ARG  64          2HH1      ARG  64   6.742  15.382   3.104
  513   1HH2  ARG  64          1HH2      ARG  64   6.915  14.217   6.397
  514   2HH2  ARG  64          2HH2      ARG  64   6.977  15.611   5.371
  515    H    ARG  65           H        ARG  65   6.958   6.629   4.249
  516    HA   ARG  65           HA       ARG  65   9.164   7.215   6.079
  517   1HB   ARG  65          1HB       ARG  65   8.054   5.332   7.117
  518   2HB   ARG  65          2HB       ARG  65   8.022   4.460   5.590
  519   1HG   ARG  65          1HG       ARG  65  10.445   4.297   5.605
  520   2HG   ARG  65          2HG       ARG  65  10.512   5.227   7.103
  521   1HD   ARG  65          1HD       ARG  65   9.329   3.485   8.284
  522   2HD   ARG  65          2HD       ARG  65   9.100   2.581   6.788
  523    HE   ARG  65           HE       ARG  65  11.769   2.767   6.916
  524   1HH1  ARG  65          1HH1      ARG  65   9.402   1.838   9.302
  525   2HH1  ARG  65          2HH1      ARG  65  10.470   0.749  10.122
  526   1HH2  ARG  65          1HH2      ARG  65  13.178   1.338   7.992
  527   2HH2  ARG  65          2HH2      ARG  65  12.616   0.465   9.378
  528    H    LEU  66           H        LEU  66  10.770   7.798   4.783
  529    HA   LEU  66           HA       LEU  66  11.366   6.102   2.467
  530   1HB   LEU  66          1HB       LEU  66  11.863   7.960   1.064
  531   2HB   LEU  66          2HB       LEU  66  10.253   8.181   1.708
  532    HG   LEU  66           HG       LEU  66  11.167  10.314   1.752
  533   1HD1  LEU  66          1HD1      LEU  66  10.161   9.747   3.900
  534   2HD1  LEU  66          2HD1      LEU  66  11.739   9.243   4.504
  535   3HD1  LEU  66          3HD1      LEU  66  11.459  10.928   4.071
  536   1HD2  LEU  66          1HD2      LEU  66  13.478   9.610   1.238
  537   2HD2  LEU  66          2HD2      LEU  66  13.388  10.901   2.436
  538   3HD2  LEU  66          3HD2      LEU  66  13.716   9.248   2.948
  539    H    LYS  67           H        LYS  67  13.522   5.802   1.982
  540    HA   LYS  67           HA       LYS  67  15.312   5.908   4.161
  541   1HB   LYS  67          1HB       LYS  67  15.405   4.217   2.356
  542   2HB   LYS  67          2HB       LYS  67  15.927   5.465   1.236
  543   1HG   LYS  67          1HG       LYS  67  17.998   5.728   2.348
  544   2HG   LYS  67          2HG       LYS  67  17.456   4.764   3.724
  545   1HD   LYS  67          1HD       LYS  67  17.319   2.788   2.283
  546   2HD   LYS  67          2HD       LYS  67  17.867   3.753   0.911
  547   1HE   LYS  67          1HE       LYS  67  19.445   3.332   3.445
  548   2HE   LYS  67          2HE       LYS  67  19.660   2.395   1.968
  549   1HZ   LYS  67          1HZ       LYS  67  20.019   5.334   2.199
  550   2HZ   LYS  67          2HZ       LYS  67  21.269   4.197   2.147
  551   3HZ   LYS  67          3HZ       LYS  67  20.264   4.412   0.803
  552    H    LEU  68           H        LEU  68  16.443   7.558   4.903
  553    HA   LEU  68           HA       LEU  68  16.635  10.022   3.441
  554   1HB   LEU  68          1HB       LEU  68  17.836   9.188   6.085
  555   2HB   LEU  68          2HB       LEU  68  17.902  10.812   5.429
  556    HG   LEU  68           HG       LEU  68  15.326  10.708   5.427
  557   1HD1  LEU  68          1HD1      LEU  68  15.945   8.458   7.334
  558   2HD1  LEU  68          2HD1      LEU  68  14.371   9.227   7.132
  559   3HD1  LEU  68          3HD1      LEU  68  15.088   8.324   5.799
  560   1HD2  LEU  68          1HD2      LEU  68  16.657  12.110   6.927
  561   2HD2  LEU  68          2HD2      LEU  68  15.238  11.453   7.743
  562   3HD2  LEU  68          3HD2      LEU  68  16.830  10.753   8.041

  No H/Q in entry =         562
  Start of MODEL   17
    1    H1   ILE   1           H1       ILE   1  10.105   9.412  -7.638
    2    H2   ILE   1           H2       ILE   1  11.679   8.942  -8.042
    3    H3   ILE   1           H3       ILE   1  10.395   7.861  -8.250
    4    HA   ILE   1           HA       ILE   1  11.669   7.279  -6.302
    5    HB   ILE   1           HB       ILE   1  10.883  10.019  -5.296
    6   1HG1  ILE   1          1HG1      ILE   1  13.632   8.910  -5.899
    7   2HG1  ILE   1          2HG1      ILE   1  12.746   9.997  -6.963
    8   1HG2  ILE   1          1HG2      ILE   1  12.435   7.795  -3.980
    9   2HG2  ILE   1          2HG2      ILE   1  12.243   9.421  -3.327
   10   3HG2  ILE   1          3HG2      ILE   1  10.836   8.377  -3.520
   11   1HD1  ILE   1          1HD1      ILE   1  13.644  10.630  -4.162
   12   2HD1  ILE   1          2HD1      ILE   1  14.415  11.181  -5.648
   13   3HD1  ILE   1          3HD1      ILE   1  12.785  11.721  -5.248
   14    H    PHE   2           H        PHE   2  10.461   5.836  -5.277
   15    HA   PHE   2           HA       PHE   2   7.602   6.349  -4.961
   16   1HB   PHE   2          1HB       PHE   2   9.085   3.758  -4.503
   17   2HB   PHE   2          2HB       PHE   2   7.348   3.974  -4.694
   18    HD1  PHE   2           HD1      PHE   2   6.590   5.027  -6.959
   19    HD2  PHE   2           HD2      PHE   2  10.349   3.137  -6.320
   20    HE1  PHE   2           HE1      PHE   2   6.811   4.655  -9.382
   21    HE2  PHE   2           HE2      PHE   2  10.578   2.762  -8.741
   22    HZ   PHE   2           HZ       PHE   2   8.807   3.522 -10.275
   23    H    ASP   3           H        ASP   3   6.520   5.793  -2.962
   24    HA   ASP   3           HA       ASP   3   8.266   6.075  -0.605
   25   1HB   ASP   3          1HB       ASP   3   5.486   7.216  -0.965
   26   2HB   ASP   3          2HB       ASP   3   6.500   7.391   0.465
   27    H    ILE   4           H        ILE   4   8.273   4.230   0.498
   28    HA   ILE   4           HA       ILE   4   6.046   2.395   0.388
   29    HB   ILE   4           HB       ILE   4   8.567   2.194   2.039
   30   1HG1  ILE   4          1HG1      ILE   4   8.016   0.949  -0.661
   31   2HG1  ILE   4          2HG1      ILE   4   8.958   2.420  -0.440
   32   1HG2  ILE   4          1HG2      ILE   4   6.772   0.745   2.800
   33   2HG2  ILE   4          2HG2      ILE   4   6.569   0.112   1.167
   34   3HG2  ILE   4          3HG2      ILE   4   8.058  -0.206   2.056
   35   1HD1  ILE   4          1HD1      ILE   4   9.631  -0.289   0.681
   36   2HD1  ILE   4          2HD1      ILE   4  10.392   0.482  -0.711
   37   3HD1  ILE   4          3HD1      ILE   4  10.577   1.182   0.897
   38    H    TYR   5           H        TYR   5   4.324   2.776   1.621
   39    HA   TYR   5           HA       TYR   5   4.645   4.103   4.204
   40   1HB   TYR   5          1HB       TYR   5   2.158   3.387   2.635
   41   2HB   TYR   5          2HB       TYR   5   2.165   4.243   4.172
   42    HD1  TYR   5           HD1      TYR   5   2.754   6.574   4.291
   43    HD2  TYR   5           HD2      TYR   5   2.995   4.475   0.599
   44    HE1  TYR   5           HE1      TYR   5   2.978   8.712   3.097
   45    HE2  TYR   5           HE2      TYR   5   3.220   6.607  -0.605
   46    HH   TYR   5           HH       TYR   5   2.669   8.980  -0.271
   47    H    VAL   6           H        VAL   6   4.007   3.205   6.147
   48    HA   VAL   6           HA       VAL   6   3.733   0.280   6.118
   49    HB   VAL   6           HB       VAL   6   5.662   1.113   7.358
   50   1HG1  VAL   6          1HG1      VAL   6   3.645   2.594   9.041
   51   2HG1  VAL   6          2HG1      VAL   6   5.366   2.448   9.396
   52   3HG1  VAL   6          3HG1      VAL   6   4.833   3.315   7.955
   53   1HG2  VAL   6          1HG2      VAL   6   3.507   0.012   9.160
   54   2HG2  VAL   6          2HG2      VAL   6   4.595  -0.928   8.141
   55   3HG2  VAL   6          3HG2      VAL   6   5.237  -0.006   9.502
   56    H    VAL   7           H        VAL   7   2.054  -0.745   7.096
   57    HA   VAL   7           HA       VAL   7  -0.225   0.920   7.839
   58    HB   VAL   7           HB       VAL   7  -0.071  -2.069   7.416
   59   1HG1  VAL   7          1HG1      VAL   7  -2.430  -0.241   7.845
   60   2HG1  VAL   7          2HG1      VAL   7  -2.546  -1.922   7.326
   61   3HG1  VAL   7          3HG1      VAL   7  -1.877  -1.532   8.911
   62   1HG2  VAL   7          1HG2      VAL   7   0.350  -0.828   5.362
   63   2HG2  VAL   7          2HG2      VAL   7  -1.228  -1.617   5.302
   64   3HG2  VAL   7          3HG2      VAL   7  -1.119   0.116   5.616
   65    H    THR   8           H        THR   8  -0.338   1.495   9.904
   66    HA   THR   8           HA       THR   8   0.344  -0.509  11.958
   67    HB   THR   8           HB       THR   8   0.822   1.384  13.481
   68    HG1  THR   8           HG1      THR   8  -0.205   3.134  12.705
   69   1HG2  THR   8          1HG2      THR   8   2.399   1.419  10.905
   70   2HG2  THR   8          2HG2      THR   8   2.950   2.057  12.454
   71   3HG2  THR   8          3HG2      THR   8   2.657   0.328  12.266
   72    H    ALA   9           H        ALA   9  -2.235   0.174  10.528
   73    HA   ALA   9           HA       ALA   9  -3.854   0.700  12.935
   74   1HB   ALA   9          1HB       ALA   9  -4.538   1.433  10.090
   75   2HB   ALA   9          2HB       ALA   9  -5.537   1.731  11.513
   76   3HB   ALA   9          3HB       ALA   9  -3.987   2.553  11.336
   77    H    ASP  10           H        ASP  10  -2.855  -1.729  11.143
   78    HA   ASP  10           HA       ASP  10  -3.622  -3.786  10.545
   79   1HB   ASP  10          1HB       ASP  10  -4.126  -3.817  12.981
   80   2HB   ASP  10          2HB       ASP  10  -5.745  -3.222  12.628
   81    H    TYR  11           H        TYR  11  -4.221  -2.547   8.510
   82    HA   TYR  11           HA       TYR  11  -7.026  -2.082   8.051
   83   1HB   TYR  11          1HB       TYR  11  -5.101  -0.809   6.967
   84   2HB   TYR  11          2HB       TYR  11  -4.859  -2.228   5.954
   85    HD1  TYR  11           HD1      TYR  11  -6.768   0.776   6.463
   86    HD2  TYR  11           HD2      TYR  11  -6.743  -2.963   4.434
   87    HE1  TYR  11           HE1      TYR  11  -8.471   1.619   4.904
   88    HE2  TYR  11           HE2      TYR  11  -8.446  -2.131   2.867
   89    HH   TYR  11           HH       TYR  11  -9.264   1.136   2.603
   90    H    LEU  12           H        LEU  12  -8.143  -3.979   8.265
   91    HA   LEU  12           HA       LEU  12  -7.392  -6.167   6.445
   92   1HB   LEU  12          1HB       LEU  12  -7.323  -6.810   8.791
   93   2HB   LEU  12          2HB       LEU  12  -8.973  -6.262   9.012
   94    HG   LEU  12           HG       LEU  12  -9.737  -8.018   7.434
   95   1HD1  LEU  12          1HD1      LEU  12  -7.660  -8.244   6.156
   96   2HD1  LEU  12          2HD1      LEU  12  -6.873  -8.953   7.567
   97   3HD1  LEU  12          3HD1      LEU  12  -8.212  -9.796   6.787
   98   1HD2  LEU  12          1HD2      LEU  12  -9.779  -8.410   9.839
   99   2HD2  LEU  12          2HD2      LEU  12  -9.406  -9.896   8.966
  100   3HD2  LEU  12          3HD2      LEU  12  -8.120  -9.006   9.781
  101    HA   PRO  13           HA       PRO  13 -11.072  -4.821   4.186
  102   1HB   PRO  13          1HB       PRO  13 -10.511  -7.378   2.777
  103   2HB   PRO  13          2HB       PRO  13 -10.779  -5.765   2.114
  104   1HG   PRO  13          1HG       PRO  13  -8.337  -6.805   2.168
  105   2HG   PRO  13          2HG       PRO  13  -8.593  -5.088   2.538
  106   1HD   PRO  13          1HD       PRO  13  -8.095  -7.375   4.406
  107   2HD   PRO  13          2HD       PRO  13  -7.466  -5.715   4.464
  108    H    LEU  14           H        LEU  14 -13.214  -5.473   4.104
  109    HA   LEU  14           HA       LEU  14 -13.905  -7.646   5.902
  110   1HB   LEU  14          1HB       LEU  14 -16.293  -6.668   5.077
  111   2HB   LEU  14          2HB       LEU  14 -15.394  -6.063   6.453
  112    HG   LEU  14           HG       LEU  14 -14.393  -4.325   4.958
  113   1HD1  LEU  14          1HD1      LEU  14 -14.703  -5.458   2.825
  114   2HD1  LEU  14          2HD1      LEU  14 -16.453  -5.333   3.004
  115   3HD1  LEU  14          3HD1      LEU  14 -15.480  -3.875   2.818
  116   1HD2  LEU  14          1HD2      LEU  14 -16.282  -3.824   6.419
  117   2HD2  LEU  14          2HD2      LEU  14 -16.390  -2.923   4.907
  118   3HD2  LEU  14          3HD2      LEU  14 -17.401  -4.345   5.159
  119    H    GLY  15           H        GLY  15 -13.510  -9.517   4.808
  120   1HA   GLY  15          1HA       GLY  15 -15.532 -10.444   3.045
  121   2HA   GLY  15          2HA       GLY  15 -14.061 -11.305   3.471
  122    H    ALA  16           H        ALA  16 -15.726 -10.159   0.936
  123    HA   ALA  16           HA       ALA  16 -13.296  -9.926  -0.697
  124   1HB   ALA  16          1HB       ALA  16 -14.721 -10.543  -2.592
  125   2HB   ALA  16          2HB       ALA  16 -16.117 -10.607  -1.517
  126   3HB   ALA  16          3HB       ALA  16 -14.789 -11.749  -1.308
  127    H    GLU  17           H        GLU  17 -12.723  -7.869  -1.012
  128    HA   GLU  17           HA       GLU  17 -14.843  -5.914  -1.625
  129   1HB   GLU  17          1HB       GLU  17 -13.562  -5.513   0.497
  130   2HB   GLU  17          2HB       GLU  17 -12.112  -5.314  -0.479
  131   1HG   GLU  17          1HG       GLU  17 -13.095  -3.403  -1.597
  132   2HG   GLU  17          2HG       GLU  17 -14.593  -3.623  -0.693
  133    H    GLN  18           H        GLN  18 -14.864  -5.197  -3.641
  134    HA   GLN  18           HA       GLN  18 -12.910  -5.917  -5.551
  135   1HB   GLN  18          1HB       GLN  18 -15.007  -3.756  -5.798
  136   2HB   GLN  18          2HB       GLN  18 -14.195  -4.591  -7.115
  137   1HG   GLN  18          1HG       GLN  18 -15.273  -6.666  -6.515
  138   2HG   GLN  18          2HG       GLN  18 -16.017  -5.903  -5.111
  139   1HE2  GLN  18          1HE2      GLN  18 -16.045  -6.199  -8.571
  140   2HE2  GLN  18          2HE2      GLN  18 -17.579  -5.445  -8.828
  141    H    ASP  19           H        ASP  19 -11.398  -4.668  -6.659
  142    HA   ASP  19           HA       ASP  19  -9.719  -3.150  -6.872
  143   1HB   ASP  19          1HB       ASP  19 -11.820  -1.281  -5.754
  144   2HB   ASP  19          2HB       ASP  19 -10.308  -0.767  -6.497
  145    H    ALA  20           H        ALA  20 -10.156  -4.608  -4.280
  146    HA   ALA  20           HA       ALA  20  -8.534  -2.832  -2.574
  147   1HB   ALA  20          1HB       ALA  20 -10.785  -3.201  -1.656
  148   2HB   ALA  20          2HB       ALA  20 -10.483  -4.939  -1.647
  149   3HB   ALA  20          3HB       ALA  20  -9.524  -3.872  -0.621
  150    H    ILE  21           H        ILE  21  -6.946  -3.857  -1.237
  151    HA   ILE  21           HA       ILE  21  -6.134  -6.535  -2.156
  152    HB   ILE  21           HB       ILE  21  -4.678  -4.909  -3.221
  153   1HG1  ILE  21          1HG1      ILE  21  -3.244  -6.268  -0.925
  154   2HG1  ILE  21          2HG1      ILE  21  -3.722  -7.061  -2.422
  155   1HG2  ILE  21          1HG2      ILE  21  -4.994  -3.072  -1.638
  156   2HG2  ILE  21          2HG2      ILE  21  -4.036  -3.941  -0.438
  157   3HG2  ILE  21          3HG2      ILE  21  -3.283  -3.383  -1.933
  158   1HD1  ILE  21          1HD1      ILE  21  -2.253  -5.546  -3.672
  159   2HD1  ILE  21          2HD1      ILE  21  -1.755  -4.799  -2.153
  160   3HD1  ILE  21          3HD1      ILE  21  -1.376  -6.492  -2.469
  161    H    THR  22           H        THR  22  -5.443  -7.938  -0.606
  162    HA   THR  22           HA       THR  22  -6.175  -7.544   2.059
  163    HB   THR  22           HB       THR  22  -5.932  -9.783   1.137
  164    HG1  THR  22           HG1      THR  22  -4.812  -8.961   3.470
  165   1HG2  THR  22          1HG2      THR  22  -2.983  -9.142   1.033
  166   2HG2  THR  22          2HG2      THR  22  -3.665 -10.754   0.821
  167   3HG2  THR  22          3HG2      THR  22  -4.043  -9.478  -0.335
  168    H    LEU  23           H        LEU  23  -5.144  -6.806   3.840
  169    HA   LEU  23           HA       LEU  23  -2.276  -6.275   3.730
  170   1HB   LEU  23          1HB       LEU  23  -4.362  -4.166   4.278
  171   2HB   LEU  23          2HB       LEU  23  -2.658  -3.969   4.639
  172    HG   LEU  23           HG       LEU  23  -3.768  -4.448   1.873
  173   1HD1  LEU  23          1HD1      LEU  23  -2.839  -1.897   3.182
  174   2HD1  LEU  23          2HD1      LEU  23  -3.258  -2.084   1.479
  175   3HD1  LEU  23          3HD1      LEU  23  -4.494  -2.292   2.720
  176   1HD2  LEU  23          1HD2      LEU  23  -1.014  -3.666   2.819
  177   2HD2  LEU  23          2HD2      LEU  23  -1.479  -5.231   2.152
  178   3HD2  LEU  23          3HD2      LEU  23  -1.530  -3.790   1.138
  179    H    ARG  24           H        ARG  24  -1.325  -5.854   5.805
  180    HA   ARG  24           HA       ARG  24  -2.993  -6.463   8.133
  181   1HB   ARG  24          1HB       ARG  24  -0.443  -7.922   7.422
  182   2HB   ARG  24          2HB       ARG  24  -1.284  -8.064   8.958
  183   1HG   ARG  24          1HG       ARG  24  -3.198  -9.043   7.876
  184   2HG   ARG  24          2HG       ARG  24  -2.470  -8.786   6.288
  185   1HD   ARG  24          1HD       ARG  24  -1.373 -10.552   8.474
  186   2HD   ARG  24          2HD       ARG  24  -2.219 -11.106   7.029
  187    HE   ARG  24           HE       ARG  24  -0.285  -9.923   5.822
  188   1HH1  ARG  24          1HH1      ARG  24  -0.018 -11.552   8.893
  189   2HH1  ARG  24          2HH1      ARG  24   1.652 -11.952   8.679
  190   1HH2  ARG  24          1HH2      ARG  24   1.914 -10.443   5.536
  191   2HH2  ARG  24          2HH2      ARG  24   2.751 -11.322   6.771
  192    H    GLU  25           H        GLU  25  -2.049  -5.833  10.155
  193    HA   GLU  25           HA       GLU  25  -0.674  -3.378  10.047
  194   1HB   GLU  25          1HB       GLU  25  -2.181  -4.002  11.889
  195   2HB   GLU  25          2HB       GLU  25  -1.049  -5.245  12.396
  196   1HG   GLU  25          1HG       GLU  25   0.623  -3.524  12.870
  197   2HG   GLU  25          2HG       GLU  25  -0.524  -2.282  12.372
  198    H    GLY  26           H        GLY  26   1.301  -3.459   9.067
  199   1HA   GLY  26          1HA       GLY  26   3.304  -5.280  10.247
  200   2HA   GLY  26          2HA       GLY  26   3.654  -3.576   9.994
  201    H    GLN  27           H        GLN  27   1.960  -3.830   7.439
  202    HA   GLN  27           HA       GLN  27   3.844  -5.323   5.779
  203   1HB   GLN  27          1HB       GLN  27   1.003  -4.780   5.717
  204   2HB   GLN  27          2HB       GLN  27   1.763  -4.343   4.200
  205   1HG   GLN  27          1HG       GLN  27   1.995  -7.020   5.547
  206   2HG   GLN  27          2HG       GLN  27   0.901  -6.644   4.217
  207   1HE2  GLN  27          1HE2      GLN  27   1.745  -6.300   2.157
  208   2HE2  GLN  27          2HE2      GLN  27   3.337  -6.810   1.723
  209    H    TYR  28           H        TYR  28   4.863  -4.372   4.004
  210    HA   TYR  28           HA       TYR  28   4.860  -1.424   3.997
  211   1HB   TYR  28          1HB       TYR  28   7.175  -3.213   3.247
  212   2HB   TYR  28          2HB       TYR  28   7.201  -1.465   3.428
  213    HD1  TYR  28           HD1      TYR  28   7.259  -4.665   5.177
  214    HD2  TYR  28           HD2      TYR  28   7.144  -0.438   5.656
  215    HE1  TYR  28           HE1      TYR  28   7.899  -4.921   7.539
  216    HE2  TYR  28           HE2      TYR  28   7.782  -0.684   8.017
  217    HH   TYR  28           HH       TYR  28   7.670  -2.409   9.789
  218    H    VAL  29           H        VAL  29   4.662  -0.380   2.071
  219    HA   VAL  29           HA       VAL  29   4.960  -1.761  -0.437
  220    HB   VAL  29           HB       VAL  29   2.774  -2.580   0.058
  221   1HG1  VAL  29          1HG1      VAL  29   2.166  -1.006   1.813
  222   2HG1  VAL  29          2HG1      VAL  29   1.975   0.274   0.615
  223   3HG1  VAL  29          3HG1      VAL  29   0.890  -1.116   0.601
  224   1HG2  VAL  29          1HG2      VAL  29   3.181  -1.770  -2.242
  225   2HG2  VAL  29          2HG2      VAL  29   1.482  -1.701  -1.778
  226   3HG2  VAL  29          3HG2      VAL  29   2.450  -0.228  -1.799
  227    H    GLU  30           H        GLU  30   5.763  -0.346  -1.832
  228    HA   GLU  30           HA       GLU  30   5.769   2.460  -1.335
  229   1HB   GLU  30          1HB       GLU  30   6.979   2.592  -3.493
  230   2HB   GLU  30          2HB       GLU  30   7.681   1.417  -2.391
  231   1HG   GLU  30          1HG       GLU  30   6.471  -0.371  -3.611
  232   2HG   GLU  30          2HG       GLU  30   5.934   0.845  -4.770
  233    H    VAL  31           H        VAL  31   4.917   4.111  -2.707
  234    HA   VAL  31           HA       VAL  31   2.341   3.360  -3.867
  235    HB   VAL  31           HB       VAL  31   2.364   5.159  -2.185
  236   1HG1  VAL  31          1HG1      VAL  31   4.061   6.619  -4.202
  237   2HG1  VAL  31          2HG1      VAL  31   3.294   7.369  -2.802
  238   3HG1  VAL  31          3HG1      VAL  31   4.525   6.128  -2.573
  239   1HG2  VAL  31          1HG2      VAL  31   1.610   6.073  -4.960
  240   2HG2  VAL  31          2HG2      VAL  31   0.603   5.132  -3.859
  241   3HG2  VAL  31          3HG2      VAL  31   1.040   6.792  -3.454
  242    H    LEU  32           H        LEU  32   1.849   3.560  -5.972
  243    HA   LEU  32           HA       LEU  32   4.014   4.216  -7.806
  244   1HB   LEU  32          1HB       LEU  32   1.308   2.945  -8.189
  245   2HB   LEU  32          2HB       LEU  32   2.353   3.365  -9.531
  246    HG   LEU  32           HG       LEU  32   3.079   1.438  -7.323
  247   1HD1  LEU  32          1HD1      LEU  32   2.205   0.928 -10.162
  248   2HD1  LEU  32          2HD1      LEU  32   2.817  -0.291  -9.045
  249   3HD1  LEU  32          3HD1      LEU  32   1.299   0.537  -8.701
  250   1HD2  LEU  32          1HD2      LEU  32   4.474   2.136  -9.904
  251   2HD2  LEU  32          2HD2      LEU  32   5.023   2.539  -8.278
  252   3HD2  LEU  32          3HD2      LEU  32   4.955   0.853  -8.794
  253    H    ASP  33           H        ASP  33   0.510   4.900  -7.832
  254    HA   ASP  33           HA       ASP  33   1.123   7.515  -9.026
  255   1HB   ASP  33          1HB       ASP  33  -1.408   5.862  -9.073
  256   2HB   ASP  33          2HB       ASP  33  -1.286   7.492  -9.727
  257    H    ALA  34           H        ALA  34   0.235   9.400  -8.208
  258    HA   ALA  34           HA       ALA  34  -0.845   9.181  -5.476
  259   1HB   ALA  34          1HB       ALA  34   1.324  10.291  -5.591
  260   2HB   ALA  34          2HB       ALA  34   0.672  11.464  -6.734
  261   3HB   ALA  34          3HB       ALA  34   0.065  11.414  -5.080
  262    H    ALA  35           H        ALA  35  -2.165   9.280  -8.262
  263    HA   ALA  35           HA       ALA  35  -3.557  11.698  -8.537
  264   1HB   ALA  35          1HB       ALA  35  -4.405   8.927  -9.374
  265   2HB   ALA  35          2HB       ALA  35  -3.429  10.049 -10.323
  266   3HB   ALA  35          3HB       ALA  35  -5.109  10.438  -9.952
  267    H    HIS  36           H        HIS  36  -5.256  12.556  -7.531
  268    HA   HIS  36           HA       HIS  36  -6.965  12.875  -6.072
  269   1HB   HIS  36          1HB       HIS  36  -7.829  10.891  -7.537
  270   2HB   HIS  36          2HB       HIS  36  -7.561   9.935  -6.084
  271    HD1  HIS  36           HD1      HIS  36 -10.388  10.350  -7.260
  272    HD2  HIS  36           HD2      HIS  36  -8.741  12.674  -4.234
  273    HE1  HIS  36           HE1      HIS  36 -12.347  11.336  -6.030
  274    HE2  HIS  36           HE2      HIS  36 -11.327  12.664  -4.147
  275    HA   PRO  37           HA       PRO  37  -4.434  12.006  -2.384
  276   1HB   PRO  37          1HB       PRO  37  -6.541  13.823  -1.301
  277   2HB   PRO  37          2HB       PRO  37  -4.798  13.886  -1.084
  278   1HG   PRO  37          1HG       PRO  37  -5.929  15.567  -2.686
  279   2HG   PRO  37          2HG       PRO  37  -4.420  14.791  -3.176
  280   1HD   PRO  37          1HD       PRO  37  -7.223  14.193  -4.056
  281   2HD   PRO  37          2HD       PRO  37  -5.728  14.240  -5.016
  282    H    LEU  38           H        LEU  38  -7.880  11.661  -2.833
  283    HA   LEU  38           HA       LEU  38  -8.642  10.589  -0.388
  284   1HB   LEU  38          1HB       LEU  38 -10.223  11.179  -2.168
  285   2HB   LEU  38          2HB       LEU  38  -9.643   9.836  -3.135
  286    HG   LEU  38           HG       LEU  38 -10.455   8.274  -1.370
  287   1HD1  LEU  38          1HD1      LEU  38 -11.661  10.782  -0.211
  288   2HD1  LEU  38          2HD1      LEU  38 -12.030   9.134   0.301
  289   3HD1  LEU  38          3HD1      LEU  38 -10.406   9.786   0.526
  290   1HD2  LEU  38          1HD2      LEU  38 -11.793   8.758  -3.358
  291   2HD2  LEU  38          2HD2      LEU  38 -12.815   8.485  -1.947
  292   3HD2  LEU  38          3HD2      LEU  38 -12.535  10.127  -2.529
  293    H    ARG  39           H        ARG  39  -7.617   8.793  -3.295
  294    HA   ARG  39           HA       ARG  39  -6.528   6.720  -1.538
  295   1HB   ARG  39          1HB       ARG  39  -7.490   4.955  -3.010
  296   2HB   ARG  39          2HB       ARG  39  -8.700   5.862  -2.113
  297   1HG   ARG  39          1HG       ARG  39  -9.239   7.156  -4.080
  298   2HG   ARG  39          2HG       ARG  39  -7.961   6.351  -4.991
  299   1HD   ARG  39          1HD       ARG  39  -9.109   4.211  -4.707
  300   2HD   ARG  39          2HD       ARG  39 -10.382   5.010  -3.786
  301    HE   ARG  39           HE       ARG  39 -10.267   6.331  -6.197
  302   1HH1  ARG  39          1HH1      ARG  39 -10.851   3.062  -5.136
  303   2HH1  ARG  39          2HH1      ARG  39 -11.878   2.675  -6.476
  304   1HH2  ARG  39          1HH2      ARG  39 -11.617   5.831  -7.961
  305   2HH2  ARG  39          2HH2      ARG  39 -12.312   4.249  -8.083
  306    H    TRP  40           H        TRP  40  -4.531   6.185  -2.102
  307    HA   TRP  40           HA       TRP  40  -3.575   6.967  -4.766
  308   1HB   TRP  40          1HB       TRP  40  -2.125   6.438  -2.172
  309   2HB   TRP  40          2HB       TRP  40  -1.289   6.638  -3.706
  310    HD1  TRP  40           HD1      TRP  40  -3.561   9.073  -4.473
  311    HE1  TRP  40           HE1      TRP  40  -3.013  11.407  -3.535
  312    HE3  TRP  40           HE3      TRP  40  -0.257   7.726  -0.808
  313    HZ2  TRP  40           HZ2      TRP  40  -1.397  12.528  -1.512
  314    HZ3  TRP  40           HZ3      TRP  40   0.746   9.491   0.581
  315    HH2  TRP  40           HH2      TRP  40   0.188  11.842   0.235
  316    H    LEU  41           H        LEU  41  -2.509   5.547  -6.108
  317    HA   LEU  41           HA       LEU  41  -3.135   2.755  -5.748
  318   1HB   LEU  41          1HB       LEU  41  -3.353   3.747  -7.949
  319   2HB   LEU  41          2HB       LEU  41  -1.673   4.247  -7.930
  320    HG   LEU  41           HG       LEU  41  -0.982   1.872  -7.963
  321   1HD1  LEU  41          1HD1      LEU  41  -3.937   1.351  -8.266
  322   2HD1  LEU  41          2HD1      LEU  41  -2.658   0.156  -8.484
  323   3HD1  LEU  41          3HD1      LEU  41  -2.926   0.882  -6.899
  324   1HD2  LEU  41          1HD2      LEU  41  -2.840   2.738 -10.174
  325   2HD2  LEU  41          2HD2      LEU  41  -1.117   3.089 -10.045
  326   3HD2  LEU  41          3HD2      LEU  41  -1.664   1.430 -10.292
  327    H    VAL  42           H        VAL  42  -1.765   1.154  -5.117
  328    HA   VAL  42           HA       VAL  42   1.091   1.805  -4.869
  329    HB   VAL  42           HB       VAL  42   1.207   0.727  -2.682
  330   1HG1  VAL  42          1HG1      VAL  42  -0.819   2.950  -2.855
  331   2HG1  VAL  42          2HG1      VAL  42  -0.002   2.447  -1.375
  332   3HG1  VAL  42          3HG1      VAL  42   0.931   3.117  -2.713
  333   1HG2  VAL  42          1HG2      VAL  42  -0.690  -0.806  -2.944
  334   2HG2  VAL  42          2HG2      VAL  42  -0.806   0.126  -1.452
  335   3HG2  VAL  42          3HG2      VAL  42  -1.801   0.559  -2.842
  336    H    ARG  43           H        ARG  43   2.479  -0.078  -4.592
  337    HA   ARG  43           HA       ARG  43   1.345  -2.621  -5.493
  338   1HB   ARG  43          1HB       ARG  43   2.090  -1.553  -7.536
  339   2HB   ARG  43          2HB       ARG  43   3.654  -1.188  -6.819
  340   1HG   ARG  43          1HG       ARG  43   4.139  -3.585  -6.676
  341   2HG   ARG  43          2HG       ARG  43   2.579  -3.936  -7.422
  342   1HD   ARG  43          1HD       ARG  43   4.342  -4.033  -9.084
  343   2HD   ARG  43          2HD       ARG  43   3.267  -2.677  -9.415
  344    HE   ARG  43           HE       ARG  43   5.225  -1.528  -7.971
  345   1HH1  ARG  43          1HH1      ARG  43   5.277  -3.622 -10.754
  346   2HH1  ARG  43          2HH1      ARG  43   6.739  -2.951 -11.393
  347   1HH2  ARG  43          1HH2      ARG  43   7.149  -0.637  -8.804
  348   2HH2  ARG  43          2HH2      ARG  43   7.802  -1.252 -10.287
  349    H    THR  44           H        THR  44   1.885  -3.995  -3.937
  350    HA   THR  44           HA       THR  44   3.887  -3.618  -2.033
  351    HB   THR  44           HB       THR  44   3.530  -5.916  -1.361
  352    HG1  THR  44           HG1      THR  44   2.957  -6.244  -3.977
  353   1HG2  THR  44          1HG2      THR  44   0.965  -4.627  -2.302
  354   2HG2  THR  44          2HG2      THR  44   1.087  -5.902  -1.088
  355   3HG2  THR  44          3HG2      THR  44   1.788  -4.314  -0.773
  356    H    LYS  45           H        LYS  45   5.965  -4.318  -1.803
  357    HA   LYS  45           HA       LYS  45   7.419  -4.844  -4.217
  358   1HB   LYS  45          1HB       LYS  45   8.314  -4.750  -1.333
  359   2HB   LYS  45          2HB       LYS  45   9.401  -4.910  -2.706
  360   1HG   LYS  45          1HG       LYS  45   8.625  -2.738  -3.552
  361   2HG   LYS  45          2HG       LYS  45   7.583  -2.577  -2.137
  362   1HD   LYS  45          1HD       LYS  45   9.571  -1.326  -1.713
  363   2HD   LYS  45          2HD       LYS  45   9.632  -2.776  -0.712
  364   1HE   LYS  45          1HE       LYS  45  11.797  -2.350  -1.732
  365   2HE   LYS  45          2HE       LYS  45  11.101  -3.845  -2.354
  366   1HZ   LYS  45          1HZ       LYS  45  10.364  -2.606  -4.321
  367   2HZ   LYS  45          2HZ       LYS  45  11.117  -1.213  -3.729
  368   3HZ   LYS  45          3HZ       LYS  45  12.047  -2.563  -4.143
  369    HA   PRO  46           HA       PRO  46   7.118  -9.290  -3.754
  370   1HB   PRO  46          1HB       PRO  46   8.416  -9.989  -5.999
  371   2HB   PRO  46          2HB       PRO  46   6.792  -9.292  -6.043
  372   1HG   PRO  46          1HG       PRO  46   9.431  -7.990  -6.565
  373   2HG   PRO  46          2HG       PRO  46   7.892  -7.784  -7.419
  374   1HD   PRO  46          1HD       PRO  46   8.854  -6.042  -5.521
  375   2HD   PRO  46          2HD       PRO  46   7.138  -6.227  -5.929
  376    H    THR  47           H        THR  47   8.898 -11.126  -4.351
  377    HA   THR  47           HA       THR  47  11.449 -10.319  -3.127
  378    HB   THR  47           HB       THR  47  11.490 -12.503  -1.920
  379    HG1  THR  47           HG1      THR  47   9.398 -13.543  -1.697
  380   1HG2  THR  47          1HG2      THR  47  10.826 -10.453  -0.755
  381   2HG2  THR  47          2HG2      THR  47   9.151 -10.715  -1.241
  382   3HG2  THR  47          3HG2      THR  47   9.938 -11.849  -0.142
  383    H    LYS  48           H        LYS  48  10.807 -10.673  -5.899
  384    HA   LYS  48           HA       LYS  48  11.717 -11.568  -7.778
  385   1HB   LYS  48          1HB       LYS  48  13.832 -11.382  -6.387
  386   2HB   LYS  48          2HB       LYS  48  13.620 -13.079  -5.984
  387   1HG   LYS  48          1HG       LYS  48  15.192 -12.930  -7.765
  388   2HG   LYS  48          2HG       LYS  48  13.697 -13.602  -8.417
  389   1HD   LYS  48          1HD       LYS  48  13.089 -11.331  -9.219
  390   2HD   LYS  48          2HD       LYS  48  14.663 -10.754  -8.669
  391   1HE   LYS  48          1HE       LYS  48  14.144 -12.854 -10.771
  392   2HE   LYS  48          2HE       LYS  48  14.733 -11.215 -11.045
  393   1HZ   LYS  48          1HZ       LYS  48  16.724 -11.770  -9.774
  394   2HZ   LYS  48          2HZ       LYS  48  16.161 -13.349  -9.551
  395   3HZ   LYS  48          3HZ       LYS  48  16.541 -12.798 -11.105
  396    H    SER  49           H        SER  49   9.959 -13.192  -5.642
  397    HA   SER  49           HA       SER  49   9.611 -15.454  -7.437
  398   1HB   SER  49          1HB       SER  49  11.252 -16.285  -5.810
  399   2HB   SER  49          2HB       SER  49  10.182 -15.827  -4.486
  400    HG   SER  49           HG       SER  49   8.999 -17.423  -6.381
  401    H    SER  50           H        SER  50   8.489 -13.314  -4.989
  402    HA   SER  50           HA       SER  50   5.892 -14.621  -4.791
  403   1HB   SER  50          1HB       SER  50   6.879 -13.735  -2.734
  404   2HB   SER  50          2HB       SER  50   6.950 -12.123  -3.447
  405    HG   SER  50           HG       SER  50   4.474 -13.380  -3.451
  406    HA   PRO  51           HA       PRO  51   4.268 -12.233  -8.200
  407   1HB   PRO  51          1HB       PRO  51   1.612 -12.634  -7.549
  408   2HB   PRO  51          2HB       PRO  51   2.600 -13.759  -8.487
  409   1HG   PRO  51          1HG       PRO  51   1.935 -13.807  -5.570
  410   2HG   PRO  51          2HG       PRO  51   1.980 -15.148  -6.731
  411   1HD   PRO  51          1HD       PRO  51   3.978 -14.754  -5.011
  412   2HD   PRO  51          2HD       PRO  51   4.304 -15.264  -6.683
  413    H    SER  52           H        SER  52   4.196 -10.085  -8.216
  414    HA   SER  52           HA       SER  52   3.625  -8.548  -5.886
  415   1HB   SER  52          1HB       SER  52   3.930  -6.596  -7.362
  416   2HB   SER  52          2HB       SER  52   5.228  -7.771  -7.574
  417    HG   SER  52           HG       SER  52   3.088  -7.148  -9.288
  418    H    ARG  53           H        ARG  53   1.911  -7.093  -5.527
  419    HA   ARG  53           HA       ARG  53  -0.475  -7.490  -7.198
  420   1HB   ARG  53          1HB       ARG  53  -0.362  -7.572  -4.180
  421   2HB   ARG  53          2HB       ARG  53  -1.850  -7.491  -5.112
  422   1HG   ARG  53          1HG       ARG  53   0.175  -9.710  -5.326
  423   2HG   ARG  53          2HG       ARG  53  -1.282  -9.769  -4.331
  424   1HD   ARG  53          1HD       ARG  53  -2.648  -9.435  -6.352
  425   2HD   ARG  53          2HD       ARG  53  -1.181  -9.433  -7.329
  426    HE   ARG  53           HE       ARG  53  -1.162 -11.795  -5.889
  427   1HH1  ARG  53          1HH1      ARG  53  -3.187 -10.265  -8.280
  428   2HH1  ARG  53          2HH1      ARG  53  -3.746 -11.762  -8.950
  429   1HH2  ARG  53          1HH2      ARG  53  -1.893 -13.767  -6.767
  430   2HH2  ARG  53          2HH2      ARG  53  -3.011 -13.751  -8.089
  431    H    GLN  54           H        GLN  54  -1.892  -5.751  -7.332
  432    HA   GLN  54           HA       GLN  54  -0.933  -3.227  -6.151
  433   1HB   GLN  54          1HB       GLN  54  -2.170  -3.612  -8.880
  434   2HB   GLN  54          2HB       GLN  54  -1.671  -2.073  -8.188
  435   1HG   GLN  54          1HG       GLN  54   0.659  -3.039  -8.049
  436   2HG   GLN  54          2HG       GLN  54   0.067  -4.369  -9.041
  437   1HE2  GLN  54          1HE2      GLN  54  -1.713  -2.676 -10.614
  438   2HE2  GLN  54          2HE2      GLN  54  -0.701  -1.761 -11.669
  439    H    GLY  55           H        GLY  55  -2.394  -2.108  -5.010
  440   1HA   GLY  55          1HA       GLY  55  -4.708  -2.935  -3.999
  441   2HA   GLY  55          2HA       GLY  55  -5.238  -2.394  -5.584
  442    H    TRP  56           H        TRP  56  -6.567  -0.820  -4.564
  443    HA   TRP  56           HA       TRP  56  -5.129   1.643  -4.002
  444   1HB   TRP  56          1HB       TRP  56  -8.100   1.133  -4.261
  445   2HB   TRP  56          2HB       TRP  56  -7.334   2.714  -4.145
  446    HD1  TRP  56           HD1      TRP  56  -7.465  -0.316  -6.548
  447    HE1  TRP  56           HE1      TRP  56  -7.058   0.547  -8.939
  448    HE3  TRP  56           HE3      TRP  56  -6.486   4.589  -5.486
  449    HZ2  TRP  56           HZ2      TRP  56  -6.409   2.985 -10.206
  450    HZ3  TRP  56           HZ3      TRP  56  -5.982   6.120  -7.344
  451    HH2  TRP  56           HH2      TRP  56  -5.944   5.333  -9.655
  452    H    VAL  57           H        VAL  57  -4.687   2.304  -2.008
  453    HA   VAL  57           HA       VAL  57  -6.395   1.355   0.201
  454    HB   VAL  57           HB       VAL  57  -3.469   1.955   0.547
  455   1HG1  VAL  57          1HG1      VAL  57  -4.840   1.885   2.558
  456   2HG1  VAL  57          2HG1      VAL  57  -5.417   0.276   2.122
  457   3HG1  VAL  57          3HG1      VAL  57  -3.717   0.526   2.518
  458   1HG2  VAL  57          1HG2      VAL  57  -4.688  -0.717  -0.142
  459   2HG2  VAL  57          2HG2      VAL  57  -3.601   0.229  -1.157
  460   3HG2  VAL  57          3HG2      VAL  57  -3.018  -0.453   0.360
  461    H    SER  58           H        SER  58  -6.484   2.764   2.076
  462    HA   SER  58           HA       SER  58  -6.676   5.529   1.305
  463   1HB   SER  58          1HB       SER  58  -7.164   4.197   3.980
  464   2HB   SER  58          2HB       SER  58  -7.571   5.866   3.583
  465    HG   SER  58           HG       SER  58  -9.193   3.983   3.338
  466    HA   PRO  59           HA       PRO  59  -2.480   6.394   2.671
  467   1HB   PRO  59          1HB       PRO  59  -3.112   9.195   2.140
  468   2HB   PRO  59          2HB       PRO  59  -1.949   8.143   1.330
  469   1HG   PRO  59          1HG       PRO  59  -4.225   9.007   0.139
  470   2HG   PRO  59          2HG       PRO  59  -3.473   7.449  -0.237
  471   1HD   PRO  59          1HD       PRO  59  -5.838   8.043   1.489
  472   2HD   PRO  59          2HD       PRO  59  -5.575   6.700   0.357
  473    H    ALA  60           H        ALA  60  -5.413   7.657   3.899
  474    HA   ALA  60           HA       ALA  60  -4.548   9.461   5.837
  475   1HB   ALA  60          1HB       ALA  60  -6.894   9.134   5.174
  476   2HB   ALA  60          2HB       ALA  60  -6.903   7.590   6.026
  477   3HB   ALA  60          3HB       ALA  60  -6.676   9.092   6.923
  478    H    TYR  61           H        TYR  61  -4.864   5.932   6.023
  479    HA   TYR  61           HA       TYR  61  -3.846   5.979   8.764
  480   1HB   TYR  61          1HB       TYR  61  -4.873   3.657   7.122
  481   2HB   TYR  61          2HB       TYR  61  -4.443   3.603   8.828
  482    HD1  TYR  61           HD1      TYR  61  -5.839   4.814  10.491
  483    HD2  TYR  61           HD2      TYR  61  -6.980   4.508   6.404
  484    HE1  TYR  61           HE1      TYR  61  -8.138   5.445  11.091
  485    HE2  TYR  61           HE2      TYR  61  -9.282   5.140   6.993
  486    HH   TYR  61           HH       TYR  61 -10.121   6.456   9.981
  487    H    LEU  62           H        LEU  62  -2.300   6.379   6.112
  488    HA   LEU  62           HA       LEU  62  -0.307   4.254   6.493
  489   1HB   LEU  62          1HB       LEU  62  -1.187   5.873   4.187
  490   2HB   LEU  62          2HB       LEU  62   0.539   5.574   4.284
  491    HG   LEU  62           HG       LEU  62   0.200   3.192   4.210
  492   1HD1  LEU  62          1HD1      LEU  62  -2.744   3.834   4.316
  493   2HD1  LEU  62          2HD1      LEU  62  -2.075   2.239   3.935
  494   3HD1  LEU  62          3HD1      LEU  62  -1.793   2.961   5.528
  495   1HD2  LEU  62          1HD2      LEU  62  -1.475   4.610   2.144
  496   2HD2  LEU  62          2HD2      LEU  62   0.263   4.320   2.070
  497   3HD2  LEU  62          3HD2      LEU  62  -0.860   2.962   2.003
  498    H    ASP  63           H        ASP  63   1.932   4.790   6.582
  499    HA   ASP  63           HA       ASP  63   2.489   7.554   7.433
  500   1HB   ASP  63          1HB       ASP  63   3.601   5.028   8.674
  501   2HB   ASP  63          2HB       ASP  63   4.042   6.672   9.126
  502    H    ARG  64           H        ARG  64   3.971   8.489   6.206
  503    HA   ARG  64           HA       ARG  64   5.362   7.225   4.150
  504   1HB   ARG  64          1HB       ARG  64   6.590   9.284   3.882
  505   2HB   ARG  64          2HB       ARG  64   4.921   9.667   4.275
  506   1HG   ARG  64          1HG       ARG  64   7.072   9.593   6.367
  507   2HG   ARG  64          2HG       ARG  64   6.735  11.036   5.409
  508   1HD   ARG  64          1HD       ARG  64   4.428  11.032   6.201
  509   2HD   ARG  64          2HD       ARG  64   4.740   9.570   7.133
  510    HE   ARG  64           HE       ARG  64   6.578  11.520   7.926
  511   1HH1  ARG  64          1HH1      ARG  64   3.149  10.910   8.048
  512   2HH1  ARG  64          2HH1      ARG  64   2.913  11.792   9.520
  513   1HH2  ARG  64          1HH2      ARG  64   6.277  12.682   9.868
  514   2HH2  ARG  64          2HH2      ARG  64   4.691  12.797  10.554
  515    H    ARG  65           H        ARG  65   7.434   6.464   3.906
  516    HA   ARG  65           HA       ARG  65   9.168   6.406   6.265
  517   1HB   ARG  65          1HB       ARG  65   7.795   4.296   6.147
  518   2HB   ARG  65          2HB       ARG  65   8.593   3.939   4.623
  519   1HG   ARG  65          1HG       ARG  65  10.760   3.934   5.778
  520   2HG   ARG  65          2HG       ARG  65   9.928   4.232   7.306
  521   1HD   ARG  65          1HD       ARG  65   8.639   2.128   6.921
  522   2HD   ARG  65          2HD       ARG  65   9.663   1.818   5.520
  523    HE   ARG  65           HE       ARG  65  11.045   2.240   8.036
  524   1HH1  ARG  65          1HH1      ARG  65   9.736  -0.041   5.750
  525   2HH1  ARG  65          2HH1      ARG  65  10.689  -1.365   6.330
  526   1HH2  ARG  65          1HH2      ARG  65  12.303   0.501   8.808
  527   2HH2  ARG  65          2HH2      ARG  65  12.148  -1.057   8.067
  528    H    LEU  66           H        LEU  66  11.020   7.277   5.659
  529    HA   LEU  66           HA       LEU  66  11.851   7.224   2.880
  530   1HB   LEU  66          1HB       LEU  66  13.662   8.723   3.645
  531   2HB   LEU  66          2HB       LEU  66  12.060   9.318   4.031
  532    HG   LEU  66           HG       LEU  66  12.591   8.088   6.344
  533   1HD1  LEU  66          1HD1      LEU  66  14.789   7.293   5.616
  534   2HD1  LEU  66          2HD1      LEU  66  15.297   8.959   5.342
  535   3HD1  LEU  66          3HD1      LEU  66  14.915   8.409   6.974
  536   1HD2  LEU  66          1HD2      LEU  66  13.581  10.826   5.562
  537   2HD2  LEU  66          2HD2      LEU  66  11.945  10.419   6.083
  538   3HD2  LEU  66          3HD2      LEU  66  13.294  10.268   7.209
  539    H    LYS  67           H        LYS  67  13.719   6.297   2.089
  540    HA   LYS  67           HA       LYS  67  15.141   4.471   3.910
  541   1HB   LYS  67          1HB       LYS  67  14.155   3.948   1.108
  542   2HB   LYS  67          2HB       LYS  67  15.371   2.948   1.889
  543   1HG   LYS  67          1HG       LYS  67  12.603   3.424   2.975
  544   2HG   LYS  67          2HG       LYS  67  13.079   2.022   2.013
  545   1HD   LYS  67          1HD       LYS  67  14.791   1.492   3.731
  546   2HD   LYS  67          2HD       LYS  67  14.178   2.829   4.707
  547   1HE   LYS  67          1HE       LYS  67  13.238   0.734   5.479
  548   2HE   LYS  67          2HE       LYS  67  11.975   1.744   4.776
  549   1HZ   LYS  67          1HZ       LYS  67  13.342  -0.504   3.396
  550   2HZ   LYS  67          2HZ       LYS  67  11.790  -0.566   4.069
  551   3HZ   LYS  67          3HZ       LYS  67  12.101   0.448   2.750
  552    H    LEU  68           H        LEU  68  17.323   4.374   3.727
  553    HA   LEU  68           HA       LEU  68  19.435   5.044   3.224
  554   1HB   LEU  68          1HB       LEU  68  18.504   3.952   1.003
  555   2HB   LEU  68          2HB       LEU  68  18.639   5.592   0.400
  556    HG   LEU  68           HG       LEU  68  20.603   4.261  -0.180
  557   1HD1  LEU  68          1HD1      LEU  68  20.878   6.660   0.166
  558   2HD1  LEU  68          2HD1      LEU  68  21.221   6.379   1.872
  559   3HD1  LEU  68          3HD1      LEU  68  22.327   5.772   0.640
  560   1HD2  LEU  68          1HD2      LEU  68  20.985   3.992   2.798
  561   2HD2  LEU  68          2HD2      LEU  68  20.580   2.695   1.673
  562   3HD2  LEU  68          3HD2      LEU  68  22.146   3.498   1.566

  No H/Q in entry =         562
  Start of MODEL   18
    1    H1   ILE   1           H1       ILE   1  10.887   9.652  -4.260
    2    H2   ILE   1           H2       ILE   1  12.305   8.846  -4.704
    3    H3   ILE   1           H3       ILE   1  11.782  10.186  -5.592
    4    HA   ILE   1           HA       ILE   1   9.829   9.006  -6.321
    5    HB   ILE   1           HB       ILE   1  10.929   7.288  -7.735
    6   1HG1  ILE   1          1HG1      ILE   1  13.425   8.029  -6.188
    7   2HG1  ILE   1          2HG1      ILE   1  12.550   6.513  -6.008
    8   1HG2  ILE   1          1HG2      ILE   1  10.917   9.631  -8.403
    9   2HG2  ILE   1          2HG2      ILE   1  12.413   9.905  -7.511
   10   3HG2  ILE   1          3HG2      ILE   1  12.408   8.841  -8.916
   11   1HD1  ILE   1          1HD1      ILE   1  13.016   5.989  -8.359
   12   2HD1  ILE   1          2HD1      ILE   1  13.939   7.485  -8.491
   13   3HD1  ILE   1          3HD1      ILE   1  14.485   6.205  -7.409
   14    H    PHE   2           H        PHE   2   8.386   7.393  -6.062
   15    HA   PHE   2           HA       PHE   2   7.269   5.686  -5.061
   16   1HB   PHE   2          1HB       PHE   2  10.035   4.463  -4.981
   17   2HB   PHE   2          2HB       PHE   2   8.534   3.585  -4.708
   18    HD1  PHE   2           HD1      PHE   2   7.025   3.098  -6.544
   19    HD2  PHE   2           HD2      PHE   2  10.683   5.175  -7.190
   20    HE1  PHE   2           HE1      PHE   2   6.832   2.679  -8.960
   21    HE2  PHE   2           HE2      PHE   2  10.495   4.761  -9.608
   22    HZ   PHE   2           HZ       PHE   2   8.568   3.512 -10.496
   23    H    ASP   3           H        ASP   3   6.579   6.687  -3.199
   24    HA   ASP   3           HA       ASP   3   8.301   6.673  -0.849
   25   1HB   ASP   3          1HB       ASP   3   5.515   7.777  -1.270
   26   2HB   ASP   3          2HB       ASP   3   6.449   7.943   0.214
   27    H    ILE   4           H        ILE   4   8.384   4.857   0.292
   28    HA   ILE   4           HA       ILE   4   6.202   2.970   0.305
   29    HB   ILE   4           HB       ILE   4   8.765   2.856   1.894
   30   1HG1  ILE   4          1HG1      ILE   4   8.196   1.642  -0.818
   31   2HG1  ILE   4          2HG1      ILE   4   9.164   3.089  -0.561
   32   1HG2  ILE   4          1HG2      ILE   4   7.005   1.358   2.673
   33   2HG2  ILE   4          2HG2      ILE   4   6.842   0.696   1.045
   34   3HG2  ILE   4          3HG2      ILE   4   8.337   0.455   1.949
   35   1HD1  ILE   4          1HD1      ILE   4  10.750   1.772   0.767
   36   2HD1  ILE   4          2HD1      ILE   4   9.789   0.326   0.454
   37   3HD1  ILE   4          3HD1      ILE   4  10.583   1.161  -0.881
   38    H    TYR   5           H        TYR   5   4.547   3.151   1.640
   39    HA   TYR   5           HA       TYR   5   4.820   4.640   4.137
   40   1HB   TYR   5          1HB       TYR   5   2.376   3.533   2.734
   41   2HB   TYR   5          2HB       TYR   5   2.341   4.469   4.223
   42    HD1  TYR   5           HD1      TYR   5   3.178   4.627   0.620
   43    HD2  TYR   5           HD2      TYR   5   2.419   6.831   4.177
   44    HE1  TYR   5           HE1      TYR   5   3.062   6.701  -0.697
   45    HE2  TYR   5           HE2      TYR   5   2.301   8.911   2.871
   46    HH   TYR   5           HH       TYR   5   2.054   8.955  -0.498
   47    H    VAL   6           H        VAL   6   4.407   3.760   6.155
   48    HA   VAL   6           HA       VAL   6   4.441   0.824   6.251
   49    HB   VAL   6           HB       VAL   6   6.353   1.841   7.339
   50   1HG1  VAL   6          1HG1      VAL   6   5.356   4.020   7.850
   51   2HG1  VAL   6          2HG1      VAL   6   4.372   3.271   9.108
   52   3HG1  VAL   6          3HG1      VAL   6   6.128   3.309   9.267
   53   1HG2  VAL   6          1HG2      VAL   6   4.386   0.724   9.334
   54   2HG2  VAL   6          2HG2      VAL   6   5.478  -0.207   8.308
   55   3HG2  VAL   6          3HG2      VAL   6   6.130   0.839   9.570
   56    H    VAL   7           H        VAL   7   2.732  -0.240   6.968
   57    HA   VAL   7           HA       VAL   7   0.402   1.181   7.869
   58    HB   VAL   7           HB       VAL   7   0.874  -1.800   7.679
   59   1HG1  VAL   7          1HG1      VAL   7  -1.621  -0.166   8.075
   60   2HG1  VAL   7          2HG1      VAL   7  -1.642  -1.847   7.544
   61   3HG1  VAL   7          3HG1      VAL   7  -0.970  -1.430   9.120
   62   1HG2  VAL   7          1HG2      VAL   7  -0.369   0.120   5.713
   63   2HG2  VAL   7          2HG2      VAL   7   1.155  -0.747   5.519
   64   3HG2  VAL   7          3HG2      VAL   7  -0.368  -1.637   5.557
   65    H    THR   8           H        THR   8  -0.126   1.623   9.907
   66    HA   THR   8           HA       THR   8   1.214   0.113  12.057
   67    HB   THR   8           HB       THR   8   1.072   2.110  13.460
   68    HG1  THR   8           HG1      THR   8   0.555   4.002  11.677
   69   1HG2  THR   8          1HG2      THR   8   3.080   1.780  12.082
   70   2HG2  THR   8          2HG2      THR   8   2.332   2.703  10.778
   71   3HG2  THR   8          3HG2      THR   8   2.722   3.493  12.305
   72    H    ALA   9           H        ALA   9  -1.458  -0.230  10.653
   73    HA   ALA   9           HA       ALA   9  -3.090  -0.258  13.100
   74   1HB   ALA   9          1HB       ALA   9  -4.082   0.348  10.318
   75   2HB   ALA   9          2HB       ALA   9  -5.072   0.242  11.774
   76   3HB   ALA   9          3HB       ALA   9  -3.868   1.523  11.616
   77    H    ASP  10           H        ASP  10  -3.473  -1.460   9.779
   78    HA   ASP  10           HA       ASP  10  -2.968  -4.111  10.013
   79   1HB   ASP  10          1HB       ASP  10  -4.518  -4.309  11.875
   80   2HB   ASP  10          2HB       ASP  10  -5.797  -3.545  10.937
   81    H    TYR  11           H        TYR  11  -5.993  -2.448   9.147
   82    HA   TYR  11           HA       TYR  11  -7.104  -2.186   7.188
   83   1HB   TYR  11          1HB       TYR  11  -4.911  -1.049   6.621
   84   2HB   TYR  11          2HB       TYR  11  -4.438  -2.541   5.817
   85    HD1  TYR  11           HD1      TYR  11  -6.736   0.328   5.717
   86    HD2  TYR  11           HD2      TYR  11  -5.379  -3.156   3.687
   87    HE1  TYR  11           HE1      TYR  11  -7.871   1.084   3.672
   88    HE2  TYR  11           HE2      TYR  11  -6.511  -2.410   1.638
   89    HH   TYR  11           HH       TYR  11  -8.359  -0.934   0.987
   90    H    LEU  12           H        LEU  12  -8.120  -4.252   7.605
   91    HA   LEU  12           HA       LEU  12  -7.277  -6.331   5.693
   92   1HB   LEU  12          1HB       LEU  12  -7.085  -7.031   8.048
   93   2HB   LEU  12          2HB       LEU  12  -8.786  -6.680   8.284
   94    HG   LEU  12           HG       LEU  12  -9.307  -8.431   6.561
   95   1HD1  LEU  12          1HD1      LEU  12  -7.139  -8.447   5.435
   96   2HD1  LEU  12          2HD1      LEU  12  -6.385  -9.094   6.894
   97   3HD1  LEU  12          3HD1      LEU  12  -7.576 -10.054   6.016
   98   1HD2  LEU  12          1HD2      LEU  12  -9.489  -8.878   8.953
   99   2HD2  LEU  12          2HD2      LEU  12  -8.930 -10.306   8.080
  100   3HD2  LEU  12          3HD2      LEU  12  -7.785  -9.332   9.004
  101    HA   PRO  13           HA       PRO  13 -11.119  -5.266   3.627
  102   1HB   PRO  13          1HB       PRO  13 -10.749  -7.925   2.367
  103   2HB   PRO  13          2HB       PRO  13 -10.967  -6.343   1.612
  104   1HG   PRO  13          1HG       PRO  13  -8.585  -7.540   1.615
  105   2HG   PRO  13          2HG       PRO  13  -8.726  -5.784   1.831
  106   1HD   PRO  13          1HD       PRO  13  -8.223  -7.912   3.877
  107   2HD   PRO  13          2HD       PRO  13  -7.514  -6.289   3.740
  108    H    LEU  14           H        LEU  14 -13.096  -5.531   4.441
  109    HA   LEU  14           HA       LEU  14 -13.718  -8.000   5.881
  110   1HB   LEU  14          1HB       LEU  14 -15.171  -5.353   5.789
  111   2HB   LEU  14          2HB       LEU  14 -15.662  -6.735   6.750
  112    HG   LEU  14           HG       LEU  14 -13.067  -5.228   7.089
  113   1HD1  LEU  14          1HD1      LEU  14 -14.985  -3.875   7.737
  114   2HD1  LEU  14          2HD1      LEU  14 -15.582  -5.191   8.750
  115   3HD1  LEU  14          3HD1      LEU  14 -14.065  -4.386   9.154
  116   1HD2  LEU  14          1HD2      LEU  14 -14.322  -7.421   8.737
  117   2HD2  LEU  14          2HD2      LEU  14 -12.882  -7.571   7.730
  118   3HD2  LEU  14          3HD2      LEU  14 -12.859  -6.529   9.153
  119    H    GLY  15           H        GLY  15 -14.275  -9.471   4.341
  120   1HA   GLY  15          1HA       GLY  15 -16.718  -8.852   2.811
  121   2HA   GLY  15          2HA       GLY  15 -16.239 -10.460   3.337
  122    H    ALA  16           H        ALA  16 -16.942  -9.628   0.665
  123    HA   ALA  16           HA       ALA  16 -14.441 -10.383  -0.679
  124   1HB   ALA  16          1HB       ALA  16 -15.836 -11.179  -2.503
  125   2HB   ALA  16          2HB       ALA  16 -17.278 -10.581  -1.684
  126   3HB   ALA  16          3HB       ALA  16 -16.346 -11.901  -0.977
  127    H    GLU  17           H        GLU  17 -13.417  -8.472  -1.093
  128    HA   GLU  17           HA       GLU  17 -14.869  -6.567  -2.811
  129   1HB   GLU  17          1HB       GLU  17 -12.767  -5.892  -0.743
  130   2HB   GLU  17          2HB       GLU  17 -13.564  -4.746  -1.811
  131   1HG   GLU  17          1HG       GLU  17 -15.697  -5.204  -0.755
  132   2HG   GLU  17          2HG       GLU  17 -14.944  -6.419   0.276
  133    H    GLN  18           H        GLN  18 -14.087  -6.876  -4.804
  134    HA   GLN  18           HA       GLN  18 -11.251  -7.486  -5.156
  135   1HB   GLN  18          1HB       GLN  18 -13.513  -7.438  -7.162
  136   2HB   GLN  18          2HB       GLN  18 -11.863  -7.936  -7.506
  137   1HG   GLN  18          1HG       GLN  18 -13.755  -9.282  -5.590
  138   2HG   GLN  18          2HG       GLN  18 -13.328  -9.851  -7.202
  139   1HE2  GLN  18          1HE2      GLN  18 -10.534  -9.031  -6.902
  140   2HE2  GLN  18          2HE2      GLN  18  -9.806 -10.200  -5.859
  141    H    ASP  19           H        ASP  19 -10.166  -5.615  -4.885
  142    HA   ASP  19           HA       ASP  19  -9.748  -3.852  -6.943
  143   1HB   ASP  19          1HB       ASP  19 -10.858  -1.775  -6.186
  144   2HB   ASP  19          2HB       ASP  19 -12.027  -3.012  -6.637
  145    H    ALA  20           H        ALA  20  -9.979  -4.262  -3.478
  146    HA   ALA  20           HA       ALA  20  -7.666  -2.531  -3.029
  147   1HB   ALA  20          1HB       ALA  20  -9.580  -2.214  -1.561
  148   2HB   ALA  20          2HB       ALA  20  -9.501  -3.905  -1.066
  149   3HB   ALA  20          3HB       ALA  20  -8.190  -2.801  -0.647
  150    H    ILE  21           H        ILE  21  -5.952  -3.317  -1.573
  151    HA   ILE  21           HA       ILE  21  -5.371  -6.155  -2.092
  152    HB   ILE  21           HB       ILE  21  -3.759  -4.772  -3.193
  153   1HG1  ILE  21          1HG1      ILE  21  -2.487  -5.751  -0.628
  154   2HG1  ILE  21          2HG1      ILE  21  -2.935  -6.799  -1.972
  155   1HG2  ILE  21          1HG2      ILE  21  -4.145  -2.717  -1.940
  156   2HG2  ILE  21          2HG2      ILE  21  -3.317  -3.406  -0.543
  157   3HG2  ILE  21          3HG2      ILE  21  -2.424  -3.093  -2.032
  158   1HD1  ILE  21          1HD1      ILE  21  -1.380  -5.588  -3.421
  159   2HD1  ILE  21          2HD1      ILE  21  -0.924  -4.560  -2.062
  160   3HD1  ILE  21          3HD1      ILE  21  -0.568  -6.287  -2.019
  161    H    THR  22           H        THR  22  -5.278  -7.482  -0.410
  162    HA   THR  22           HA       THR  22  -5.833  -6.669   2.216
  163    HB   THR  22           HB       THR  22  -4.535  -9.263   1.361
  164    HG1  THR  22           HG1      THR  22  -7.209  -9.333   1.882
  165   1HG2  THR  22          1HG2      THR  22  -6.170  -8.557   3.802
  166   2HG2  THR  22          2HG2      THR  22  -5.576 -10.165   3.394
  167   3HG2  THR  22          3HG2      THR  22  -4.436  -8.875   3.773
  168    H    LEU  23           H        LEU  23  -4.545  -5.498   3.468
  169    HA   LEU  23           HA       LEU  23  -1.644  -5.988   3.373
  170   1HB   LEU  23          1HB       LEU  23  -3.220  -3.548   4.172
  171   2HB   LEU  23          2HB       LEU  23  -1.505  -3.717   4.486
  172    HG   LEU  23           HG       LEU  23  -2.789  -3.706   1.752
  173   1HD1  LEU  23          1HD1      LEU  23  -1.175  -1.619   3.209
  174   2HD1  LEU  23          2HD1      LEU  23  -1.652  -1.534   1.513
  175   3HD1  LEU  23          3HD1      LEU  23  -2.882  -1.519   2.777
  176   1HD2  LEU  23          1HD2      LEU  23   0.114  -3.767   2.572
  177   2HD2  LEU  23          2HD2      LEU  23  -0.781  -5.086   1.818
  178   3HD2  LEU  23          3HD2      LEU  23  -0.487  -3.597   0.922
  179    H    ARG  24           H        ARG  24  -0.504  -5.592   5.474
  180    HA   ARG  24           HA       ARG  24  -2.126  -6.471   7.768
  181   1HB   ARG  24          1HB       ARG  24   0.625  -7.453   6.990
  182   2HB   ARG  24          2HB       ARG  24  -0.176  -7.831   8.508
  183   1HG   ARG  24          1HG       ARG  24  -1.934  -9.003   7.330
  184   2HG   ARG  24          2HG       ARG  24  -1.221  -8.558   5.779
  185   1HD   ARG  24          1HD       ARG  24   0.767  -9.845   6.289
  186   2HD   ARG  24          2HD       ARG  24   0.141 -10.222   7.893
  187    HE   ARG  24           HE       ARG  24  -1.699 -11.092   5.956
  188   1HH1  ARG  24          1HH1      ARG  24   1.475 -11.850   7.177
  189   2HH1  ARG  24          2HH1      ARG  24   1.370 -13.531   6.774
  190   1HH2  ARG  24          1HH2      ARG  24  -1.847 -13.305   5.423
  191   2HH2  ARG  24          2HH2      ARG  24  -0.518 -14.359   5.776
  192    H    GLU  25           H        GLU  25  -1.486  -5.706   9.797
  193    HA   GLU  25           HA       GLU  25  -0.520  -3.106   9.928
  194   1HB   GLU  25          1HB       GLU  25  -1.853  -4.103  11.709
  195   2HB   GLU  25          2HB       GLU  25  -0.555  -5.227  12.086
  196   1HG   GLU  25          1HG       GLU  25   0.873  -3.341  12.734
  197   2HG   GLU  25          2HG       GLU  25  -0.457  -2.234  12.393
  198    H    GLY  26           H        GLY  26   1.448  -2.736   8.951
  199   1HA   GLY  26          1HA       GLY  26   3.771  -4.062  10.209
  200   2HA   GLY  26          2HA       GLY  26   3.770  -2.385   9.685
  201    H    GLN  27           H        GLN  27   2.345  -3.011   7.181
  202    HA   GLN  27           HA       GLN  27   4.337  -4.601   5.753
  203   1HB   GLN  27          1HB       GLN  27   1.499  -4.185   5.536
  204   2HB   GLN  27          2HB       GLN  27   2.283  -3.787   4.019
  205   1HG   GLN  27          1HG       GLN  27   2.638  -6.369   5.511
  206   2HG   GLN  27          2HG       GLN  27   1.531  -6.131   4.160
  207   1HE2  GLN  27          1HE2      GLN  27   2.362  -5.864   2.085
  208   2HE2  GLN  27          2HE2      GLN  27   3.987  -6.293   1.685
  209    H    TYR  28           H        TYR  28   5.496  -3.789   4.020
  210    HA   TYR  28           HA       TYR  28   5.558  -0.857   3.827
  211   1HB   TYR  28          1HB       TYR  28   7.654  -2.731   2.750
  212   2HB   TYR  28          2HB       TYR  28   7.812  -1.021   3.127
  213    HD1  TYR  28           HD1      TYR  28   7.502  -0.373   5.636
  214    HD2  TYR  28           HD2      TYR  28   8.396  -4.306   4.286
  215    HE1  TYR  28           HE1      TYR  28   8.368  -0.935   7.868
  216    HE2  TYR  28           HE2      TYR  28   9.263  -4.881   6.513
  217    HH   TYR  28           HH       TYR  28   8.741  -2.950   9.245
  218    H    VAL  29           H        VAL  29   5.019   0.152   1.993
  219    HA   VAL  29           HA       VAL  29   5.129  -1.153  -0.569
  220    HB   VAL  29           HB       VAL  29   3.043  -2.090   0.074
  221   1HG1  VAL  29          1HG1      VAL  29   2.570  -0.626   1.974
  222   2HG1  VAL  29          2HG1      VAL  29   2.158   0.683   0.866
  223   3HG1  VAL  29          3HG1      VAL  29   1.169  -0.776   0.914
  224   1HG2  VAL  29          1HG2      VAL  29   3.186  -1.104  -2.203
  225   2HG2  VAL  29          2HG2      VAL  29   1.541  -1.202  -1.575
  226   3HG2  VAL  29          3HG2      VAL  29   2.393   0.342  -1.581
  227    H    GLU  30           H        GLU  30   5.734   0.348  -1.986
  228    HA   GLU  30           HA       GLU  30   5.581   3.141  -1.352
  229   1HB   GLU  30          1HB       GLU  30   6.723   3.428  -3.564
  230   2HB   GLU  30          2HB       GLU  30   7.577   2.396  -2.428
  231   1HG   GLU  30          1HG       GLU  30   5.752   1.204  -4.469
  232   2HG   GLU  30          2HG       GLU  30   7.390   1.688  -4.904
  233    H    VAL  31           H        VAL  31   4.609   4.767  -2.656
  234    HA   VAL  31           HA       VAL  31   2.037   3.948  -3.713
  235    HB   VAL  31           HB       VAL  31   2.191   5.896  -2.205
  236   1HG1  VAL  31          1HG1      VAL  31   4.356   6.758  -2.901
  237   2HG1  VAL  31          2HG1      VAL  31   3.696   7.183  -4.479
  238   3HG1  VAL  31          3HG1      VAL  31   3.119   8.009  -3.031
  239   1HG2  VAL  31          1HG2      VAL  31   0.326   5.709  -3.766
  240   2HG2  VAL  31          2HG2      VAL  31   0.770   7.398  -3.514
  241   3HG2  VAL  31          3HG2      VAL  31   1.256   6.569  -4.993
  242    H    LEU  32           H        LEU  32   1.307   4.277  -5.792
  243    HA   LEU  32           HA       LEU  32   3.413   4.689  -7.800
  244   1HB   LEU  32          1HB       LEU  32   0.703   3.399  -8.112
  245   2HB   LEU  32          2HB       LEU  32   1.941   3.501  -9.347
  246    HG   LEU  32           HG       LEU  32   2.156   1.949  -6.766
  247   1HD1  LEU  32          1HD1      LEU  32   0.587   0.977  -8.379
  248   2HD1  LEU  32          2HD1      LEU  32   1.851   0.996  -9.609
  249   3HD1  LEU  32          3HD1      LEU  32   2.029  -0.017  -8.179
  250   1HD2  LEU  32          1HD2      LEU  32   4.057   2.171  -9.100
  251   2HD2  LEU  32          2HD2      LEU  32   4.324   2.790  -7.470
  252   3HD2  LEU  32          3HD2      LEU  32   4.223   1.052  -7.747
  253    H    ASP  33           H        ASP  33  -0.117   5.156  -7.719
  254    HA   ASP  33           HA       ASP  33  -0.196   7.157  -9.656
  255   1HB   ASP  33          1HB       ASP  33  -2.166   5.872  -8.907
  256   2HB   ASP  33          2HB       ASP  33  -2.126   6.726  -7.368
  257    H    ALA  34           H        ALA  34  -0.992   7.787  -6.247
  258    HA   ALA  34           HA       ALA  34  -0.647   9.592  -4.908
  259   1HB   ALA  34          1HB       ALA  34   1.548  10.685  -5.024
  260   2HB   ALA  34          2HB       ALA  34   1.866   9.870  -6.555
  261   3HB   ALA  34          3HB       ALA  34   1.685   8.928  -5.076
  262    H    ALA  35           H        ALA  35  -2.528  10.570  -5.916
  263    HA   ALA  35           HA       ALA  35  -2.025  13.233  -6.759
  264   1HB   ALA  35          1HB       ALA  35  -3.013  13.136  -8.989
  265   2HB   ALA  35          2HB       ALA  35  -1.564  12.136  -8.893
  266   3HB   ALA  35          3HB       ALA  35  -3.158  11.383  -8.854
  267    H    HIS  36           H        HIS  36  -4.306  10.560  -6.506
  268    HA   HIS  36           HA       HIS  36  -6.580  12.339  -6.262
  269   1HB   HIS  36          1HB       HIS  36  -6.317   9.337  -6.067
  270   2HB   HIS  36          2HB       HIS  36  -7.843  10.197  -5.888
  271    HD1  HIS  36           HD1      HIS  36  -9.126  10.554  -7.981
  272    HD2  HIS  36           HD2      HIS  36  -5.109   9.798  -8.729
  273    HE1  HIS  36           HE1      HIS  36  -8.927  10.392 -10.482
  274    HE2  HIS  36           HE2      HIS  36  -6.497   9.884 -10.910
  275    HA   PRO  37           HA       PRO  37  -5.730  12.855  -1.842
  276   1HB   PRO  37          1HB       PRO  37  -8.474  14.013  -2.043
  277   2HB   PRO  37          2HB       PRO  37  -7.037  14.683  -1.284
  278   1HG   PRO  37          1HG       PRO  37  -7.819  15.642  -3.550
  279   2HG   PRO  37          2HG       PRO  37  -6.099  15.332  -3.296
  280   1HD   PRO  37          1HD       PRO  37  -8.098  13.712  -4.840
  281   2HD   PRO  37          2HD       PRO  37  -6.420  14.122  -5.260
  282    H    LEU  38           H        LEU  38  -8.533  11.386  -3.327
  283    HA   LEU  38           HA       LEU  38  -9.737  10.384  -0.965
  284   1HB   LEU  38          1HB       LEU  38  -9.916   9.264  -3.762
  285   2HB   LEU  38          2HB       LEU  38 -11.032   8.960  -2.444
  286    HG   LEU  38           HG       LEU  38 -10.597  11.638  -3.771
  287   1HD1  LEU  38          1HD1      LEU  38 -11.704  10.011  -5.234
  288   2HD1  LEU  38          2HD1      LEU  38 -12.912   9.720  -3.982
  289   3HD1  LEU  38          3HD1      LEU  38 -12.795  11.308  -4.741
  290   1HD2  LEU  38          1HD2      LEU  38 -11.240  11.848  -1.427
  291   2HD2  LEU  38          2HD2      LEU  38 -12.559  12.337  -2.489
  292   3HD2  LEU  38          3HD2      LEU  38 -12.604  10.763  -1.695
  293    H    ARG  39           H        ARG  39  -8.216   8.419  -3.519
  294    HA   ARG  39           HA       ARG  39  -6.747   6.927  -1.478
  295   1HB   ARG  39          1HB       ARG  39  -7.472   4.771  -2.477
  296   2HB   ARG  39          2HB       ARG  39  -8.786   5.656  -1.715
  297   1HG   ARG  39          1HG       ARG  39  -9.488   6.466  -3.936
  298   2HG   ARG  39          2HG       ARG  39  -8.214   5.485  -4.666
  299   1HD   ARG  39          1HD       ARG  39 -10.342   4.326  -4.782
  300   2HD   ARG  39          2HD       ARG  39  -9.234   3.470  -3.710
  301    HE   ARG  39           HE       ARG  39 -10.837   5.251  -2.219
  302   1HH1  ARG  39          1HH1      ARG  39 -11.003   2.223  -3.935
  303   2HH1  ARG  39          2HH1      ARG  39 -12.311   1.607  -2.982
  304   1HH2  ARG  39          1HH2      ARG  39 -12.561   4.450  -0.962
  305   2HH2  ARG  39          2HH2      ARG  39 -13.199   2.874  -1.293
  306    H    TRP  40           H        TRP  40  -4.909   5.836  -2.248
  307    HA   TRP  40           HA       TRP  40  -4.103   6.608  -4.977
  308   1HB   TRP  40          1HB       TRP  40  -2.443   6.311  -2.470
  309   2HB   TRP  40          2HB       TRP  40  -1.745   6.468  -4.078
  310    HD1  TRP  40           HD1      TRP  40  -3.728   8.774  -5.144
  311    HE1  TRP  40           HE1      TRP  40  -3.427  11.166  -4.243
  312    HE3  TRP  40           HE3      TRP  40  -1.202   7.706  -0.829
  313    HZ2  TRP  40           HZ2      TRP  40  -2.271  12.433  -2.003
  314    HZ3  TRP  40           HZ3      TRP  40  -0.533   9.566   0.636
  315    HH2  TRP  40           HH2      TRP  40  -1.057  11.881   0.060
  316    H    LEU  41           H        LEU  41  -3.005   5.134  -6.256
  317    HA   LEU  41           HA       LEU  41  -3.504   2.352  -5.629
  318   1HB   LEU  41          1HB       LEU  41  -3.998   2.982  -7.862
  319   2HB   LEU  41          2HB       LEU  41  -2.454   3.789  -8.056
  320    HG   LEU  41           HG       LEU  41  -1.302   1.628  -8.048
  321   1HD1  LEU  41          1HD1      LEU  41  -4.069   0.453  -7.815
  322   2HD1  LEU  41          2HD1      LEU  41  -2.593  -0.456  -8.135
  323   3HD1  LEU  41          3HD1      LEU  41  -2.796   0.382  -6.597
  324   1HD2  LEU  41          1HD2      LEU  41  -2.072   2.572 -10.168
  325   2HD2  LEU  41          2HD2      LEU  41  -2.112   0.809 -10.195
  326   3HD2  LEU  41          3HD2      LEU  41  -3.607   1.722  -9.991
  327    H    VAL  42           H        VAL  42  -2.091   1.159  -4.540
  328    HA   VAL  42           HA       VAL  42   0.780   1.756  -4.850
  329    HB   VAL  42           HB       VAL  42   1.163   1.183  -2.542
  330   1HG1  VAL  42          1HG1      VAL  42   0.530   3.503  -3.057
  331   2HG1  VAL  42          2HG1      VAL  42  -1.154   3.102  -2.722
  332   3HG1  VAL  42          3HG1      VAL  42   0.046   3.023  -1.432
  333   1HG2  VAL  42          1HG2      VAL  42  -1.806   0.678  -2.366
  334   2HG2  VAL  42          2HG2      VAL  42  -0.535  -0.540  -2.276
  335   3HG2  VAL  42          3HG2      VAL  42  -0.684   0.672  -1.005
  336    H    ARG  43           H        ARG  43   2.224  -0.014  -4.719
  337    HA   ARG  43           HA       ARG  43   1.001  -2.681  -4.858
  338   1HB   ARG  43          1HB       ARG  43   2.351  -3.312  -6.740
  339   2HB   ARG  43          2HB       ARG  43   1.493  -1.837  -7.157
  340   1HG   ARG  43          1HG       ARG  43   3.476  -0.524  -6.828
  341   2HG   ARG  43          2HG       ARG  43   4.353  -1.930  -6.223
  342   1HD   ARG  43          1HD       ARG  43   4.002  -3.020  -8.432
  343   2HD   ARG  43          2HD       ARG  43   3.284  -1.518  -9.011
  344    HE   ARG  43           HE       ARG  43   5.626  -0.618  -8.198
  345   1HH1  ARG  43          1HH1      ARG  43   4.883  -3.525  -9.971
  346   2HH1  ARG  43          2HH1      ARG  43   6.404  -3.562 -10.799
  347   1HH2  ARG  43          1HH2      ARG  43   7.631  -0.661  -9.284
  348   2HH2  ARG  43          2HH2      ARG  43   7.965  -1.936 -10.407
  349    H    THR  44           H        THR  44   1.963  -4.126  -3.573
  350    HA   THR  44           HA       THR  44   4.170  -3.337  -1.944
  351    HB   THR  44           HB       THR  44   3.991  -5.504  -0.891
  352    HG1  THR  44           HG1      THR  44   3.602  -6.675  -2.908
  353   1HG2  THR  44          1HG2      THR  44   1.262  -4.403  -1.575
  354   2HG2  THR  44          2HG2      THR  44   1.630  -5.467  -0.216
  355   3HG2  THR  44          3HG2      THR  44   2.312  -3.841  -0.274
  356    H    LYS  45           H        LYS  45   6.205  -4.410  -1.756
  357    HA   LYS  45           HA       LYS  45   7.444  -4.880  -4.277
  358   1HB   LYS  45          1HB       LYS  45   8.534  -5.337  -1.495
  359   2HB   LYS  45          2HB       LYS  45   9.484  -5.261  -2.973
  360   1HG   LYS  45          1HG       LYS  45   8.854  -2.933  -3.281
  361   2HG   LYS  45          2HG       LYS  45   7.852  -3.001  -1.831
  362   1HD   LYS  45          1HD       LYS  45  10.831  -3.478  -1.892
  363   2HD   LYS  45          2HD       LYS  45  10.065  -1.953  -1.446
  364   1HE   LYS  45          1HE       LYS  45   8.900  -3.102   0.393
  365   2HE   LYS  45          2HE       LYS  45   9.720  -4.601  -0.041
  366   1HZ   LYS  45          1HZ       LYS  45  11.842  -3.505   0.416
  367   2HZ   LYS  45          2HZ       LYS  45  11.026  -2.099   0.887
  368   3HZ   LYS  45          3HZ       LYS  45  10.845  -3.522   1.782
  369    HA   PRO  46           HA       PRO  46   6.850  -9.287  -4.388
  370   1HB   PRO  46          1HB       PRO  46   8.377  -9.878  -6.509
  371   2HB   PRO  46          2HB       PRO  46   6.871  -8.967  -6.677
  372   1HG   PRO  46          1HG       PRO  46   9.692  -7.992  -6.695
  373   2HG   PRO  46          2HG       PRO  46   8.312  -7.452  -7.664
  374   1HD   PRO  46          1HD       PRO  46   9.270  -6.175  -5.395
  375   2HD   PRO  46          2HD       PRO  46   7.647  -5.963  -6.076
  376    H    THR  47           H        THR  47   7.724 -10.780  -3.109
  377    HA   THR  47           HA       THR  47  10.659 -10.966  -2.941
  378    HB   THR  47           HB       THR  47   9.913  -9.946  -0.881
  379    HG1  THR  47           HG1      THR  47  11.317 -12.094  -1.003
  380   1HG2  THR  47          1HG2      THR  47   8.051 -12.309  -0.612
  381   2HG2  THR  47          2HG2      THR  47   8.320 -11.069   0.613
  382   3HG2  THR  47          3HG2      THR  47   7.574 -10.641  -0.927
  383    H    LYS  48           H        LYS  48  11.523 -12.987  -2.968
  384    HA   LYS  48           HA       LYS  48  11.687 -15.228  -3.301
  385   1HB   LYS  48          1HB       LYS  48  10.471 -15.270  -1.105
  386   2HB   LYS  48          2HB       LYS  48   8.965 -15.411  -1.999
  387   1HG   LYS  48          1HG       LYS  48   9.639 -17.580  -1.229
  388   2HG   LYS  48          2HG       LYS  48   9.787 -17.523  -2.984
  389   1HD   LYS  48          1HD       LYS  48  11.727 -18.622  -2.139
  390   2HD   LYS  48          2HD       LYS  48  12.223 -17.014  -2.671
  391   1HE   LYS  48          1HE       LYS  48  13.237 -17.598  -0.525
  392   2HE   LYS  48          2HE       LYS  48  12.152 -16.217  -0.371
  393   1HZ   LYS  48          1HZ       LYS  48  11.447 -19.019   0.320
  394   2HZ   LYS  48          2HZ       LYS  48  11.885 -17.825   1.435
  395   3HZ   LYS  48          3HZ       LYS  48  10.463 -17.659   0.532
  396    H    SER  49           H        SER  49  10.875 -13.770  -5.461
  397    HA   SER  49           HA       SER  49   9.950 -13.936  -7.531
  398   1HB   SER  49          1HB       SER  49  11.092 -16.129  -7.464
  399   2HB   SER  49          2HB       SER  49   9.636 -16.853  -6.783
  400    HG   SER  49           HG       SER  49   8.863 -16.987  -8.722
  401    H    SER  50           H        SER  50   8.197 -13.385  -5.214
  402    HA   SER  50           HA       SER  50   5.664 -14.620  -5.907
  403   1HB   SER  50          1HB       SER  50   6.167 -14.212  -3.547
  404   2HB   SER  50          2HB       SER  50   6.322 -12.484  -3.866
  405    HG   SER  50           HG       SER  50   4.048 -12.780  -4.722
  406    HA   PRO  51           HA       PRO  51   4.449 -11.638  -8.940
  407   1HB   PRO  51          1HB       PRO  51   1.723 -11.869  -8.528
  408   2HB   PRO  51          2HB       PRO  51   2.686 -12.951  -9.539
  409   1HG   PRO  51          1HG       PRO  51   1.815 -13.305  -6.695
  410   2HG   PRO  51          2HG       PRO  51   1.806 -14.484  -8.022
  411   1HD   PRO  51          1HD       PRO  51   3.716 -14.539  -6.183
  412   2HD   PRO  51          2HD       PRO  51   4.116 -14.807  -7.894
  413    H    SER  52           H        SER  52   4.512  -9.502  -8.710
  414    HA   SER  52           HA       SER  52   3.984  -8.202  -6.243
  415   1HB   SER  52          1HB       SER  52   4.410  -6.115  -7.499
  416   2HB   SER  52          2HB       SER  52   5.649  -7.332  -7.810
  417    HG   SER  52           HG       SER  52   4.088  -7.848  -9.675
  418    H    ARG  53           H        ARG  53   2.038  -7.849  -5.430
  419    HA   ARG  53           HA       ARG  53  -0.265  -7.579  -7.197
  420   1HB   ARG  53          1HB       ARG  53  -0.050  -7.816  -4.195
  421   2HB   ARG  53          2HB       ARG  53  -1.569  -7.647  -5.065
  422   1HG   ARG  53          1HG       ARG  53  -0.820  -9.735  -6.361
  423   2HG   ARG  53          2HG       ARG  53   0.343  -9.948  -5.049
  424   1HD   ARG  53          1HD       ARG  53  -2.649  -9.735  -4.756
  425   2HD   ARG  53          2HD       ARG  53  -1.703 -11.218  -4.642
  426    HE   ARG  53           HE       ARG  53  -0.717  -9.355  -2.785
  427   1HH1  ARG  53          1HH1      ARG  53  -3.515 -11.353  -3.356
  428   2HH1  ARG  53          2HH1      ARG  53  -3.912 -11.501  -1.676
  429   1HH2  ARG  53          1HH2      ARG  53  -1.232  -9.543  -0.571
  430   2HH2  ARG  53          2HH2      ARG  53  -2.613 -10.471  -0.093
  431    H    GLN  54           H        GLN  54  -1.861  -5.858  -6.780
  432    HA   GLN  54           HA       GLN  54  -0.851  -3.453  -5.500
  433   1HB   GLN  54          1HB       GLN  54  -1.290  -2.081  -7.545
  434   2HB   GLN  54          2HB       GLN  54   0.081  -3.171  -7.688
  435   1HG   GLN  54          1HG       GLN  54  -1.365  -4.765  -8.903
  436   2HG   GLN  54          2HG       GLN  54  -2.667  -3.577  -8.840
  437   1HE2  GLN  54          1HE2      GLN  54  -2.518  -1.710 -10.084
  438   2HE2  GLN  54          2HE2      GLN  54  -1.407  -1.567 -11.398
  439    H    GLY  55           H        GLY  55  -2.440  -2.325  -4.560
  440   1HA   GLY  55          1HA       GLY  55  -4.907  -3.120  -3.990
  441   2HA   GLY  55          2HA       GLY  55  -5.161  -2.468  -5.602
  442    H    TRP  56           H        TRP  56  -6.643  -0.993  -4.525
  443    HA   TRP  56           HA       TRP  56  -5.352   1.500  -3.915
  444   1HB   TRP  56          1HB       TRP  56  -8.288   0.775  -3.857
  445   2HB   TRP  56          2HB       TRP  56  -7.628   2.406  -3.805
  446    HD1  TRP  56           HD1      TRP  56  -8.224  -0.509  -6.209
  447    HE1  TRP  56           HE1      TRP  56  -7.976   0.351  -8.622
  448    HE3  TRP  56           HE3      TRP  56  -6.484   4.196  -5.220
  449    HZ2  TRP  56           HZ2      TRP  56  -7.150   2.710  -9.933
  450    HZ3  TRP  56           HZ3      TRP  56  -5.988   5.690  -7.111
  451    HH2  TRP  56           HH2      TRP  56  -6.315   4.962  -9.418
  452    H    VAL  57           H        VAL  57  -5.078   2.463  -1.986
  453    HA   VAL  57           HA       VAL  57  -6.313   1.229   0.381
  454    HB   VAL  57           HB       VAL  57  -4.230   1.529   1.646
  455   1HG1  VAL  57          1HG1      VAL  57  -3.943  -0.147  -0.844
  456   2HG1  VAL  57          2HG1      VAL  57  -2.955  -0.308   0.608
  457   3HG1  VAL  57          3HG1      VAL  57  -4.687  -0.640   0.676
  458   1HG2  VAL  57          1HG2      VAL  57  -3.258   3.349   0.344
  459   2HG2  VAL  57          2HG2      VAL  57  -2.129   2.001   0.479
  460   3HG2  VAL  57          3HG2      VAL  57  -3.020   2.259  -1.021
  461    H    SER  58           H        SER  58  -6.139   2.664   2.331
  462    HA   SER  58           HA       SER  58  -6.714   5.417   1.520
  463   1HB   SER  58          1HB       SER  58  -7.309   3.971   4.112
  464   2HB   SER  58          2HB       SER  58  -7.788   5.626   3.736
  465    HG   SER  58           HG       SER  58  -8.941   4.701   1.909
  466    HA   PRO  59           HA       PRO  59  -2.603   6.388   3.115
  467   1HB   PRO  59          1HB       PRO  59  -2.783   9.083   2.667
  468   2HB   PRO  59          2HB       PRO  59  -2.338   7.907   1.427
  469   1HG   PRO  59          1HG       PRO  59  -4.988   9.190   1.960
  470   2HG   PRO  59          2HG       PRO  59  -4.185   8.878   0.409
  471   1HD   PRO  59          1HD       PRO  59  -6.165   7.304   1.323
  472   2HD   PRO  59          2HD       PRO  59  -4.801   6.649   0.394
  473    H    ALA  60           H        ALA  60  -5.644   7.221   4.319
  474    HA   ALA  60           HA       ALA  60  -4.942   9.090   6.324
  475   1HB   ALA  60          1HB       ALA  60  -7.250   8.740   5.564
  476   2HB   ALA  60          2HB       ALA  60  -7.241   7.137   6.297
  477   3HB   ALA  60          3HB       ALA  60  -7.100   8.572   7.313
  478    H    TYR  61           H        TYR  61  -4.308   5.775   6.005
  479    HA   TYR  61           HA       TYR  61  -3.598   5.606   8.860
  480   1HB   TYR  61          1HB       TYR  61  -4.584   3.357   7.093
  481   2HB   TYR  61          2HB       TYR  61  -4.078   3.196   8.772
  482    HD1  TYR  61           HD1      TYR  61  -6.816   3.803   6.588
  483    HD2  TYR  61           HD2      TYR  61  -5.381   4.588  10.516
  484    HE1  TYR  61           HE1      TYR  61  -9.110   4.300   7.321
  485    HE2  TYR  61           HE2      TYR  61  -7.670   5.085  11.260
  486    HH   TYR  61           HH       TYR  61  -9.808   5.789  10.296
  487    H    LEU  62           H        LEU  62  -2.204   6.218   6.154
  488    HA   LEU  62           HA       LEU  62  -0.001   4.288   6.472
  489   1HB   LEU  62          1HB       LEU  62  -1.163   5.648   4.096
  490   2HB   LEU  62          2HB       LEU  62   0.562   5.342   4.096
  491    HG   LEU  62           HG       LEU  62   0.133   2.938   4.412
  492   1HD1  LEU  62          1HD1      LEU  62  -2.763   3.755   4.210
  493   2HD1  LEU  62          2HD1      LEU  62  -2.169   2.089   4.106
  494   3HD1  LEU  62          3HD1      LEU  62  -1.958   3.013   5.603
  495   1HD2  LEU  62          1HD2      LEU  62   0.387   3.862   2.161
  496   2HD2  LEU  62          2HD2      LEU  62  -0.726   2.495   2.178
  497   3HD2  LEU  62          3HD2      LEU  62  -1.352   4.140   2.079
  498    H    ASP  63           H        ASP  63   2.085   5.021   6.677
  499    HA   ASP  63           HA       ASP  63   2.440   7.936   6.933
  500   1HB   ASP  63          1HB       ASP  63   2.409   6.884   9.149
  501   2HB   ASP  63          2HB       ASP  63   3.681   5.772   8.649
  502    H    ARG  64           H        ARG  64   3.851   8.700   5.498
  503    HA   ARG  64           HA       ARG  64   5.412   7.066   3.826
  504   1HB   ARG  64          1HB       ARG  64   6.255   9.058   2.872
  505   2HB   ARG  64          2HB       ARG  64   4.606   9.426   3.358
  506   1HG   ARG  64          1HG       ARG  64   5.541  10.434   5.445
  507   2HG   ARG  64          2HG       ARG  64   7.147  10.230   4.748
  508   1HD   ARG  64          1HD       ARG  64   6.390  11.572   2.788
  509   2HD   ARG  64          2HD       ARG  64   4.884  11.888   3.648
  510    HE   ARG  64           HE       ARG  64   7.052  12.615   5.282
  511   1HH1  ARG  64          1HH1      ARG  64   5.421  13.621   2.373
  512   2HH1  ARG  64          2HH1      ARG  64   5.837  15.292   2.563
  513   1HH2  ARG  64          1HH2      ARG  64   7.608  14.814   5.539
  514   2HH2  ARG  64          2HH2      ARG  64   7.083  15.968   4.359
  515    H    ARG  65           H        ARG  65   7.517   6.489   3.827
  516    HA   ARG  65           HA       ARG  65   9.277   7.438   5.947
  517   1HB   ARG  65          1HB       ARG  65   8.257   5.469   6.933
  518   2HB   ARG  65          2HB       ARG  65   8.622   4.521   5.498
  519   1HG   ARG  65          1HG       ARG  65  10.168   4.005   7.292
  520   2HG   ARG  65          2HG       ARG  65  11.013   4.764   5.942
  521   1HD   ARG  65          1HD       ARG  65  10.841   6.939   7.159
  522   2HD   ARG  65          2HD       ARG  65  10.185   6.057   8.537
  523    HE   ARG  65           HE       ARG  65  12.578   4.832   7.866
  524   1HH1  ARG  65          1HH1      ARG  65  11.501   7.955   8.978
  525   2HH1  ARG  65          2HH1      ARG  65  12.980   8.310   9.808
  526   1HH2  ARG  65          1HH2      ARG  65  14.528   5.295   8.954
  527   2HH2  ARG  65          2HH2      ARG  65  14.700   6.800   9.793
  528    H    LEU  66           H        LEU  66  11.325   7.687   5.279
  529    HA   LEU  66           HA       LEU  66  11.990   6.717   2.587
  530   1HB   LEU  66          1HB       LEU  66  13.179   8.947   4.236
  531   2HB   LEU  66          2HB       LEU  66  13.804   8.436   2.680
  532    HG   LEU  66           HG       LEU  66  11.447   8.970   1.778
  533   1HD1  LEU  66          1HD1      LEU  66  11.384  10.508   4.371
  534   2HD1  LEU  66          2HD1      LEU  66  10.258  10.714   3.029
  535   3HD1  LEU  66          3HD1      LEU  66  10.310   9.187   3.910
  536   1HD2  LEU  66          1HD2      LEU  66  13.454  10.260   1.257
  537   2HD2  LEU  66          2HD2      LEU  66  12.051  11.310   1.453
  538   3HD2  LEU  66          3HD2      LEU  66  13.247  11.189   2.742
  539    H    LYS  67           H        LYS  67  12.753   4.676   2.967
  540    HA   LYS  67           HA       LYS  67  15.270   4.518   4.470
  541   1HB   LYS  67          1HB       LYS  67  13.424   3.619   5.866
  542   2HB   LYS  67          2HB       LYS  67  13.065   2.453   4.600
  543   1HG   LYS  67          1HG       LYS  67  15.836   2.512   5.642
  544   2HG   LYS  67          2HG       LYS  67  14.579   1.870   6.700
  545   1HD   LYS  67          1HD       LYS  67  13.909   0.301   4.933
  546   2HD   LYS  67          2HD       LYS  67  15.189   0.933   3.895
  547   1HE   LYS  67          1HE       LYS  67  16.874   0.192   5.479
  548   2HE   LYS  67          2HE       LYS  67  15.618  -0.371   6.582
  549   1HZ   LYS  67          1HZ       LYS  67  16.098  -1.431   3.849
  550   2HZ   LYS  67          2HZ       LYS  67  16.574  -2.184   5.288
  551   3HZ   LYS  67          3HZ       LYS  67  14.931  -1.990   4.938
  552    H    LEU  68           H        LEU  68  16.857   3.680   3.297
  553    HA   LEU  68           HA       LEU  68  16.327   1.595   1.356
  554   1HB   LEU  68          1HB       LEU  68  17.577   2.841  -0.435
  555   2HB   LEU  68          2HB       LEU  68  15.968   3.434  -0.082
  556    HG   LEU  68           HG       LEU  68  18.372   4.720   1.176
  557   1HD1  LEU  68          1HD1      LEU  68  17.214   5.347  -1.537
  558   2HD1  LEU  68          2HD1      LEU  68  18.413   6.315  -0.681
  559   3HD1  LEU  68          3HD1      LEU  68  18.815   4.684  -1.216
  560   1HD2  LEU  68          1HD2      LEU  68  15.595   5.666   0.473
  561   2HD2  LEU  68          2HD2      LEU  68  16.231   5.348   2.088
  562   3HD2  LEU  68          3HD2      LEU  68  16.869   6.690   1.137

  No H/Q in entry =         562
  Start of MODEL   19
    1    H1   ILE   1           H1       ILE   1  13.779   4.818  -6.533
    2    H2   ILE   1           H2       ILE   1  14.093   3.179  -6.807
    3    H3   ILE   1           H3       ILE   1  12.820   3.943  -7.618
    4    HA   ILE   1           HA       ILE   1  11.948   2.590  -5.861
    5    HB   ILE   1           HB       ILE   1  12.459   3.131  -3.511
    6   1HG1  ILE   1          1HG1      ILE   1  14.725   4.804  -4.612
    7   2HG1  ILE   1          2HG1      ILE   1  13.227   5.480  -3.978
    8   1HG2  ILE   1          1HG2      ILE   1  13.609   1.287  -4.600
    9   2HG2  ILE   1          2HG2      ILE   1  14.869   2.384  -5.163
   10   3HG2  ILE   1          3HG2      ILE   1  14.671   2.079  -3.437
   11   1HD1  ILE   1          1HD1      ILE   1  15.199   3.816  -2.430
   12   2HD1  ILE   1          2HD1      ILE   1  15.016   5.567  -2.335
   13   3HD1  ILE   1          3HD1      ILE   1  13.709   4.513  -1.796
   14    H    PHE   2           H        PHE   2  10.240   3.320  -4.341
   15    HA   PHE   2           HA       PHE   2   9.423   6.092  -4.911
   16   1HB   PHE   2          1HB       PHE   2   7.809   3.558  -4.894
   17   2HB   PHE   2          2HB       PHE   2   7.040   5.121  -4.639
   18    HD1  PHE   2           HD1      PHE   2   6.946   6.763  -6.432
   19    HD2  PHE   2           HD2      PHE   2   8.672   2.922  -7.038
   20    HE1  PHE   2           HE1      PHE   2   6.832   7.101  -8.867
   21    HE2  PHE   2           HE2      PHE   2   8.562   3.251  -9.474
   22    HZ   PHE   2           HZ       PHE   2   7.641   5.343 -10.392
   23    H    ASP   3           H        ASP   3   7.279   6.360  -3.286
   24    HA   ASP   3           HA       ASP   3   8.544   6.487  -0.684
   25   1HB   ASP   3          1HB       ASP   3   5.850   7.482  -1.629
   26   2HB   ASP   3          2HB       ASP   3   6.543   7.797  -0.041
   27    H    ILE   4           H        ILE   4   8.557   4.561   0.344
   28    HA   ILE   4           HA       ILE   4   6.260   2.818   0.349
   29    HB   ILE   4           HB       ILE   4   8.726   2.540   2.053
   30   1HG1  ILE   4          1HG1      ILE   4   8.353   1.410  -0.725
   31   2HG1  ILE   4          2HG1      ILE   4   9.274   2.874  -0.395
   32   1HG2  ILE   4          1HG2      ILE   4   6.820   1.099   2.587
   33   2HG2  ILE   4          2HG2      ILE   4   6.808   0.507   0.927
   34   3HG2  ILE   4          3HG2      ILE   4   8.189   0.171   1.971
   35   1HD1  ILE   4          1HD1      ILE   4   9.878   0.136   0.697
   36   2HD1  ILE   4          2HD1      ILE   4  10.718   0.929  -0.636
   37   3HD1  ILE   4          3HD1      ILE   4  10.814   1.602   0.991
   38    H    TYR   5           H        TYR   5   4.791   2.571   1.930
   39    HA   TYR   5           HA       TYR   5   5.029   4.299   4.303
   40   1HB   TYR   5          1HB       TYR   5   2.555   3.195   2.956
   41   2HB   TYR   5          2HB       TYR   5   2.556   4.172   4.419
   42    HD1  TYR   5           HD1      TYR   5   2.592   6.523   4.295
   43    HD2  TYR   5           HD2      TYR   5   3.409   4.228   0.807
   44    HE1  TYR   5           HE1      TYR   5   2.481   8.566   2.934
   45    HE2  TYR   5           HE2      TYR   5   3.302   6.266  -0.564
   46    HH   TYR   5           HH       TYR   5   3.351   9.372   0.746
   47    H    VAL   6           H        VAL   6   4.092   3.461   6.309
   48    HA   VAL   6           HA       VAL   6   4.372   0.533   6.486
   49    HB   VAL   6           HB       VAL   6   6.131   1.646   7.723
   50   1HG1  VAL   6          1HG1      VAL   6   5.045   3.797   8.088
   51   2HG1  VAL   6          2HG1      VAL   6   3.931   3.050   9.234
   52   3HG1  VAL   6          3HG1      VAL   6   5.653   3.132   9.604
   53   1HG2  VAL   6          1HG2      VAL   6   5.211  -0.415   8.660
   54   2HG2  VAL   6          2HG2      VAL   6   5.769   0.673   9.932
   55   3HG2  VAL   6          3HG2      VAL   6   4.045   0.525   9.591
   56    H    VAL   7           H        VAL   7   2.717  -0.629   7.236
   57    HA   VAL   7           HA       VAL   7   0.200   0.661   7.741
   58    HB   VAL   7           HB       VAL   7   0.708  -2.261   8.192
   59   1HG1  VAL   7          1HG1      VAL   7  -1.493  -1.392   8.753
   60   2HG1  VAL   7          2HG1      VAL   7  -1.657  -0.726   7.127
   61   3HG1  VAL   7          3HG1      VAL   7  -1.583  -2.473   7.363
   62   1HG2  VAL   7          1HG2      VAL   7   0.838  -0.770   5.636
   63   2HG2  VAL   7          2HG2      VAL   7   1.663  -2.253   6.128
   64   3HG2  VAL   7          3HG2      VAL   7  -0.032  -2.304   5.639
   65    H    THR   8           H        THR   8  -0.724   1.113   9.655
   66    HA   THR   8           HA       THR   8   0.318  -0.165  12.080
   67    HB   THR   8           HB       THR   8   0.385   1.986  13.270
   68    HG1  THR   8           HG1      THR   8  -1.067   3.154  11.930
   69   1HG2  THR   8          1HG2      THR   8   2.444   1.106  12.261
   70   2HG2  THR   8          2HG2      THR   8   2.082   1.973  10.770
   71   3HG2  THR   8          3HG2      THR   8   2.425   2.869  12.250
   72    H    ALA   9           H        ALA   9  -2.247  -0.074  10.369
   73    HA   ALA   9           HA       ALA   9  -4.059   0.224  12.661
   74   1HB   ALA   9          1HB       ALA   9  -4.652   1.281   9.899
   75   2HB   ALA   9          2HB       ALA   9  -5.738   1.317  11.288
   76   3HB   ALA   9          3HB       ALA   9  -4.248   2.261  11.309
   77    H    ASP  10           H        ASP  10  -2.837  -1.743  10.354
   78    HA   ASP  10           HA       ASP  10  -3.414  -3.755   9.473
   79   1HB   ASP  10          1HB       ASP  10  -3.854  -4.300  11.834
   80   2HB   ASP  10          2HB       ASP  10  -5.510  -3.728  11.655
   81    H    TYR  11           H        TYR  11  -4.114  -3.066   7.461
   82    HA   TYR  11           HA       TYR  11  -6.938  -2.406   7.130
   83   1HB   TYR  11          1HB       TYR  11  -5.160  -1.048   5.995
   84   2HB   TYR  11          2HB       TYR  11  -4.765  -2.462   5.026
   85    HD1  TYR  11           HD1      TYR  11  -7.378   0.050   5.732
   86    HD2  TYR  11           HD2      TYR  11  -6.102  -3.080   3.149
   87    HE1  TYR  11           HE1      TYR  11  -9.107   0.695   4.107
   88    HE2  TYR  11           HE2      TYR  11  -7.827  -2.443   1.516
   89    HH   TYR  11           HH       TYR  11  -9.977  -1.265   1.473
   90    H    LEU  12           H        LEU  12  -7.820  -4.452   7.564
   91    HA   LEU  12           HA       LEU  12  -7.253  -6.522   5.551
   92   1HB   LEU  12          1HB       LEU  12  -6.812  -7.188   7.872
   93   2HB   LEU  12          2HB       LEU  12  -8.469  -6.803   8.298
   94    HG   LEU  12           HG       LEU  12  -9.209  -8.577   6.678
   95   1HD1  LEU  12          1HD1      LEU  12  -7.193  -8.668   5.312
   96   2HD1  LEU  12          2HD1      LEU  12  -6.276  -9.270   6.693
   97   3HD1  LEU  12          3HD1      LEU  12  -7.565 -10.250   5.997
   98   1HD2  LEU  12          1HD2      LEU  12  -7.456  -9.413   8.983
   99   2HD2  LEU  12          2HD2      LEU  12  -9.166  -8.990   9.063
  100   3HD2  LEU  12          3HD2      LEU  12  -8.655 -10.436   8.190
  101    HA   PRO  13           HA       PRO  13 -11.307  -5.234   3.984
  102   1HB   PRO  13          1HB       PRO  13 -10.831  -7.605   2.261
  103   2HB   PRO  13          2HB       PRO  13 -11.273  -5.957   1.807
  104   1HG   PRO  13          1HG       PRO  13  -8.800  -6.857   1.405
  105   2HG   PRO  13          2HG       PRO  13  -9.084  -5.193   1.950
  106   1HD   PRO  13          1HD       PRO  13  -8.183  -7.576   3.521
  107   2HD   PRO  13          2HD       PRO  13  -7.649  -5.886   3.631
  108    H    LEU  14           H        LEU  14 -13.373  -6.005   4.278
  109    HA   LEU  14           HA       LEU  14 -13.581  -8.491   5.800
  110   1HB   LEU  14          1HB       LEU  14 -15.930  -7.676   6.251
  111   2HB   LEU  14          2HB       LEU  14 -14.633  -6.714   6.930
  112    HG   LEU  14           HG       LEU  14 -15.787  -5.915   4.290
  113   1HD1  LEU  14          1HD1      LEU  14 -17.737  -6.313   5.697
  114   2HD1  LEU  14          2HD1      LEU  14 -17.034  -5.314   6.969
  115   3HD1  LEU  14          3HD1      LEU  14 -17.492  -4.588   5.428
  116   1HD2  LEU  14          1HD2      LEU  14 -14.680  -4.386   6.645
  117   2HD2  LEU  14          2HD2      LEU  14 -13.824  -4.747   5.146
  118   3HD2  LEU  14          3HD2      LEU  14 -15.227  -3.681   5.126
  119    H    GLY  15           H        GLY  15 -13.548 -10.092   4.294
  120   1HA   GLY  15          1HA       GLY  15 -15.989 -10.471   2.787
  121   2HA   GLY  15          2HA       GLY  15 -14.680 -11.630   2.968
  122    H    ALA  16           H        ALA  16 -16.273  -9.818   0.775
  123    HA   ALA  16           HA       ALA  16 -13.947  -9.764  -1.031
  124   1HB   ALA  16          1HB       ALA  16 -15.705 -11.353  -1.669
  125   2HB   ALA  16          2HB       ALA  16 -15.510 -10.073  -2.867
  126   3HB   ALA  16          3HB       ALA  16 -16.866 -10.028  -1.739
  127    H    GLU  17           H        GLU  17 -13.175  -7.738  -1.072
  128    HA   GLU  17           HA       GLU  17 -15.056  -5.491  -1.151
  129   1HB   GLU  17          1HB       GLU  17 -13.157  -5.506   0.502
  130   2HB   GLU  17          2HB       GLU  17 -12.050  -5.397  -0.858
  131   1HG   GLU  17          1HG       GLU  17 -12.374  -3.218   0.097
  132   2HG   GLU  17          2HG       GLU  17 -13.095  -3.267  -1.510
  133    H    GLN  18           H        GLN  18 -15.149  -4.061  -2.842
  134    HA   GLN  18           HA       GLN  18 -14.224  -5.029  -5.384
  135   1HB   GLN  18          1HB       GLN  18 -15.649  -2.454  -4.693
  136   2HB   GLN  18          2HB       GLN  18 -15.412  -3.093  -6.314
  137   1HG   GLN  18          1HG       GLN  18 -16.758  -5.056  -5.722
  138   2HG   GLN  18          2HG       GLN  18 -17.020  -4.376  -4.116
  139   1HE2  GLN  18          1HE2      GLN  18 -18.353  -2.578  -3.883
  140   2HE2  GLN  18          2HE2      GLN  18 -19.462  -2.093  -5.116
  141    H    ASP  19           H        ASP  19 -12.365  -4.566  -6.330
  142    HA   ASP  19           HA       ASP  19 -10.335  -3.643  -6.764
  143   1HB   ASP  19          1HB       ASP  19 -11.907  -1.117  -6.229
  144   2HB   ASP  19          2HB       ASP  19 -10.296  -1.149  -6.938
  145    H    ALA  20           H        ALA  20  -9.968  -4.737  -4.527
  146    HA   ALA  20           HA       ALA  20  -8.531  -2.781  -2.894
  147   1HB   ALA  20          1HB       ALA  20 -10.697  -3.074  -1.798
  148   2HB   ALA  20          2HB       ALA  20 -10.429  -4.816  -1.730
  149   3HB   ALA  20          3HB       ALA  20  -9.386  -3.727  -0.815
  150    H    ILE  21           H        ILE  21  -7.092  -3.904  -1.275
  151    HA   ILE  21           HA       ILE  21  -6.221  -6.551  -2.191
  152    HB   ILE  21           HB       ILE  21  -4.731  -5.037  -3.324
  153   1HG1  ILE  21          1HG1      ILE  21  -3.302  -6.123  -0.887
  154   2HG1  ILE  21          2HG1      ILE  21  -3.788  -7.103  -2.266
  155   1HG2  ILE  21          1HG2      ILE  21  -5.086  -3.058  -1.960
  156   2HG2  ILE  21          2HG2      ILE  21  -4.208  -3.803  -0.623
  157   3HG2  ILE  21          3HG2      ILE  21  -3.362  -3.400  -2.117
  158   1HD1  ILE  21          1HD1      ILE  21  -2.347  -5.738  -3.711
  159   2HD1  ILE  21          2HD1      ILE  21  -1.829  -4.820  -2.297
  160   3HD1  ILE  21          3HD1      ILE  21  -1.452  -6.538  -2.420
  161    H    THR  22           H        THR  22  -5.699  -7.918  -0.584
  162    HA   THR  22           HA       THR  22  -6.253  -7.212   2.105
  163    HB   THR  22           HB       THR  22  -4.846  -9.680   1.064
  164    HG1  THR  22           HG1      THR  22  -7.425  -8.853   0.906
  165   1HG2  THR  22          1HG2      THR  22  -6.240  -9.137   3.689
  166   2HG2  THR  22          2HG2      THR  22  -5.635 -10.708   3.164
  167   3HG2  THR  22          3HG2      THR  22  -4.509  -9.382   3.455
  168    H    LEU  23           H        LEU  23  -4.969  -6.479   3.679
  169    HA   LEU  23           HA       LEU  23  -2.062  -6.687   3.350
  170   1HB   LEU  23          1HB       LEU  23  -3.670  -4.206   3.828
  171   2HB   LEU  23          2HB       LEU  23  -2.030  -4.322   4.433
  172    HG   LEU  23           HG       LEU  23  -2.860  -4.550   1.539
  173   1HD1  LEU  23          1HD1      LEU  23  -1.416  -2.367   3.036
  174   2HD1  LEU  23          2HD1      LEU  23  -1.661  -2.422   1.289
  175   3HD1  LEU  23          3HD1      LEU  23  -3.047  -2.280   2.371
  176   1HD2  LEU  23          1HD2      LEU  23  -0.152  -4.670   2.861
  177   2HD2  LEU  23          2HD2      LEU  23  -0.946  -5.940   1.930
  178   3HD2  LEU  23          3HD2      LEU  23  -0.406  -4.466   1.126
  179    H    ARG  24           H        ARG  24  -0.914  -6.040   5.416
  180    HA   ARG  24           HA       ARG  24  -2.469  -6.777   7.795
  181   1HB   ARG  24          1HB       ARG  24   0.203  -7.936   6.992
  182   2HB   ARG  24          2HB       ARG  24  -0.569  -8.188   8.550
  183   1HG   ARG  24          1HG       ARG  24  -2.443  -9.297   7.449
  184   2HG   ARG  24          2HG       ARG  24  -1.681  -9.031   5.881
  185   1HD   ARG  24          1HD       ARG  24  -1.236 -11.283   6.581
  186   2HD   ARG  24          2HD       ARG  24   0.264 -10.360   6.659
  187    HE   ARG  24           HE       ARG  24  -0.658 -10.154   9.171
  188   1HH1  ARG  24          1HH1      ARG  24  -0.255 -12.889   7.050
  189   2HH1  ARG  24          2HH1      ARG  24   0.038 -14.009   8.339
  190   1HH2  ARG  24          1HH2      ARG  24  -0.276 -11.622  10.874
  191   2HH2  ARG  24          2HH2      ARG  24   0.024 -13.289  10.512
  192    H    GLU  25           H        GLU  25  -1.782  -5.867   9.724
  193    HA   GLU  25           HA       GLU  25  -0.451  -3.378   9.539
  194   1HB   GLU  25          1HB       GLU  25  -2.119  -3.680  11.232
  195   2HB   GLU  25          2HB       GLU  25  -1.267  -5.056  11.911
  196   1HG   GLU  25          1HG       GLU  25   0.530  -3.605  12.652
  197   2HG   GLU  25          2HG       GLU  25  -0.262  -2.217  11.910
  198    H    GLY  26           H        GLY  26   1.652  -3.283   9.035
  199   1HA   GLY  26          1HA       GLY  26   3.485  -5.101  10.464
  200   2HA   GLY  26          2HA       GLY  26   3.811  -3.380  10.347
  201    H    GLN  27           H        GLN  27   2.477  -3.906   7.475
  202    HA   GLN  27           HA       GLN  27   4.925  -4.964   6.252
  203   1HB   GLN  27          1HB       GLN  27   3.642  -5.442   4.284
  204   2HB   GLN  27          2HB       GLN  27   2.790  -6.094   5.666
  205   1HG   GLN  27          1HG       GLN  27   1.098  -5.182   4.436
  206   2HG   GLN  27          2HG       GLN  27   1.465  -3.885   5.565
  207   1HE2  GLN  27          1HE2      GLN  27   1.846  -5.011   2.279
  208   2HE2  GLN  27          2HE2      GLN  27   2.194  -3.470   1.579
  209    H    TYR  28           H        TYR  28   5.497  -3.988   4.100
  210    HA   TYR  28           HA       TYR  28   5.178  -1.058   4.209
  211   1HB   TYR  28          1HB       TYR  28   7.612  -2.515   3.170
  212   2HB   TYR  28          2HB       TYR  28   7.447  -0.795   3.501
  213    HD1  TYR  28           HD1      TYR  28   7.433   0.028   5.824
  214    HD2  TYR  28           HD2      TYR  28   8.103  -4.076   4.924
  215    HE1  TYR  28           HE1      TYR  28   8.328  -0.318   8.090
  216    HE2  TYR  28           HE2      TYR  28   8.997  -4.433   7.185
  217    HH   TYR  28           HH       TYR  28   8.671  -2.129   9.678
  218    H    VAL  29           H        VAL  29   4.846   0.027   2.265
  219    HA   VAL  29           HA       VAL  29   4.993  -1.409  -0.244
  220    HB   VAL  29           HB       VAL  29   2.839  -2.178   0.406
  221   1HG1  VAL  29          1HG1      VAL  29   2.395  -0.585   2.194
  222   2HG1  VAL  29          2HG1      VAL  29   2.131   0.692   1.007
  223   3HG1  VAL  29          3HG1      VAL  29   1.026  -0.681   1.087
  224   1HG2  VAL  29          1HG2      VAL  29   3.062  -1.413  -1.922
  225   2HG2  VAL  29          2HG2      VAL  29   1.411  -1.261  -1.322
  226   3HG2  VAL  29          3HG2      VAL  29   2.439   0.167  -1.449
  227    H    GLU  30           H        GLU  30   5.758  -0.031  -1.699
  228    HA   GLU  30           HA       GLU  30   5.791   2.791  -1.267
  229   1HB   GLU  30          1HB       GLU  30   6.996   2.870  -3.406
  230   2HB   GLU  30          2HB       GLU  30   7.685   1.685  -2.309
  231   1HG   GLU  30          1HG       GLU  30   6.564  -0.107  -3.510
  232   2HG   GLU  30          2HG       GLU  30   5.819   1.069  -4.592
  233    H    VAL  31           H        VAL  31   4.948   4.403  -2.669
  234    HA   VAL  31           HA       VAL  31   2.360   3.662  -3.795
  235    HB   VAL  31           HB       VAL  31   2.479   5.555  -2.203
  236   1HG1  VAL  31          1HG1      VAL  31   4.682   6.410  -2.833
  237   2HG1  VAL  31          2HG1      VAL  31   4.032   6.937  -4.386
  238   3HG1  VAL  31          3HG1      VAL  31   3.454   7.676  -2.893
  239   1HG2  VAL  31          1HG2      VAL  31   1.628   6.295  -5.001
  240   2HG2  VAL  31          2HG2      VAL  31   0.656   5.437  -3.806
  241   3HG2  VAL  31          3HG2      VAL  31   1.120   7.116  -3.524
  242    H    LEU  32           H        LEU  32   1.751   4.078  -5.897
  243    HA   LEU  32           HA       LEU  32   3.963   4.473  -7.779
  244   1HB   LEU  32          1HB       LEU  32   1.202   3.338  -8.229
  245   2HB   LEU  32          2HB       LEU  32   2.460   3.455  -9.442
  246    HG   LEU  32           HG       LEU  32   2.712   1.820  -6.920
  247   1HD1  LEU  32          1HD1      LEU  32   0.888   1.045  -8.437
  248   2HD1  LEU  32          2HD1      LEU  32   2.099   0.840  -9.700
  249   3HD1  LEU  32          3HD1      LEU  32   2.197  -0.113  -8.220
  250   1HD2  LEU  32          1HD2      LEU  32   4.340   1.886  -9.458
  251   2HD2  LEU  32          2HD2      LEU  32   4.839   2.512  -7.887
  252   3HD2  LEU  32          3HD2      LEU  32   4.583   0.781  -8.107
  253    H    ASP  33           H        ASP  33   0.506   5.004  -8.282
  254    HA   ASP  33           HA       ASP  33   0.867   7.285  -9.874
  255   1HB   ASP  33          1HB       ASP  33  -1.134   5.818  -9.928
  256   2HB   ASP  33          2HB       ASP  33  -1.617   6.460  -8.362
  257    H    ALA  34           H        ALA  34  -0.322   7.029  -6.523
  258    HA   ALA  34           HA       ALA  34  -0.347   8.502  -4.792
  259   1HB   ALA  34          1HB       ALA  34   1.881   9.872  -6.293
  260   2HB   ALA  34          2HB       ALA  34   1.493  10.064  -4.583
  261   3HB   ALA  34          3HB       ALA  34   2.081   8.514  -5.185
  262    H    ALA  35           H        ALA  35  -1.906   9.040  -7.320
  263    HA   ALA  35           HA       ALA  35  -2.193  11.954  -7.156
  264   1HB   ALA  35          1HB       ALA  35  -3.462  10.054  -9.121
  265   2HB   ALA  35          2HB       ALA  35  -1.946  10.914  -9.388
  266   3HB   ALA  35          3HB       ALA  35  -3.450  11.816  -9.204
  267    H    HIS  36           H        HIS  36  -4.306  12.903  -6.970
  268    HA   HIS  36           HA       HIS  36  -6.340  13.198  -6.009
  269   1HB   HIS  36          1HB       HIS  36  -6.568  10.217  -6.454
  270   2HB   HIS  36          2HB       HIS  36  -7.892  11.239  -5.902
  271    HD1  HIS  36           HD1      HIS  36  -9.382  11.975  -7.719
  272    HD2  HIS  36           HD2      HIS  36  -5.521  11.288  -9.088
  273    HE1  HIS  36           HE1      HIS  36  -9.468  12.373 -10.201
  274    HE2  HIS  36           HE2      HIS  36  -7.096  12.051 -10.990
  275    HA   PRO  37           HA       PRO  37  -4.810  12.654  -1.773
  276   1HB   PRO  37          1HB       PRO  37  -7.346  14.189  -1.365
  277   2HB   PRO  37          2HB       PRO  37  -5.754  14.466  -0.668
  278   1HG   PRO  37          1HG       PRO  37  -6.558  15.996  -2.580
  279   2HG   PRO  37          2HG       PRO  37  -4.902  15.381  -2.619
  280   1HD   PRO  37          1HD       PRO  37  -7.289  14.479  -4.193
  281   2HD   PRO  37          2HD       PRO  37  -5.603  14.679  -4.720
  282    H    LEU  38           H        LEU  38  -7.979  11.894  -3.040
  283    HA   LEU  38           HA       LEU  38  -9.192  10.716  -0.845
  284   1HB   LEU  38          1HB       LEU  38 -10.309  11.118  -2.999
  285   2HB   LEU  38          2HB       LEU  38  -9.357   9.842  -3.730
  286    HG   LEU  38           HG       LEU  38 -10.426   8.223  -2.151
  287   1HD1  LEU  38          1HD1      LEU  38 -11.072   9.799  -0.411
  288   2HD1  LEU  38          2HD1      LEU  38 -12.201  10.576  -1.521
  289   3HD1  LEU  38          3HD1      LEU  38 -12.473   8.910  -1.007
  290   1HD2  LEU  38          1HD2      LEU  38 -12.280   9.776  -3.952
  291   2HD2  LEU  38          2HD2      LEU  38 -11.212   8.463  -4.444
  292   3HD2  LEU  38          3HD2      LEU  38 -12.558   8.142  -3.351
  293    H    ARG  39           H        ARG  39  -7.707   8.800  -3.457
  294    HA   ARG  39           HA       ARG  39  -6.442   7.091  -1.446
  295   1HB   ARG  39          1HB       ARG  39  -7.226   5.057  -2.615
  296   2HB   ARG  39          2HB       ARG  39  -8.543   5.983  -1.909
  297   1HG   ARG  39          1HG       ARG  39  -9.024   6.943  -4.125
  298   2HG   ARG  39          2HG       ARG  39  -7.745   5.938  -4.812
  299   1HD   ARG  39          1HD       ARG  39  -9.905   4.895  -5.162
  300   2HD   ARG  39          2HD       ARG  39  -8.934   3.929  -4.052
  301    HE   ARG  39           HE       ARG  39 -10.811   5.814  -2.869
  302   1HH1  ARG  39          1HH1      ARG  39 -10.086   2.524  -3.763
  303   2HH1  ARG  39          2HH1      ARG  39 -11.275   1.841  -2.705
  304   1HH2  ARG  39          1HH2      ARG  39 -12.376   4.922  -1.475
  305   2HH2  ARG  39          2HH2      ARG  39 -12.575   3.203  -1.405
  306    H    TRP  40           H        TRP  40  -4.554   6.103  -2.111
  307    HA   TRP  40           HA       TRP  40  -3.554   6.978  -4.738
  308   1HB   TRP  40          1HB       TRP  40  -2.050   6.344  -2.193
  309   2HB   TRP  40          2HB       TRP  40  -1.280   6.703  -3.734
  310    HD1  TRP  40           HD1      TRP  40  -3.393   9.148  -4.422
  311    HE1  TRP  40           HE1      TRP  40  -3.002  11.399  -3.239
  312    HE3  TRP  40           HE3      TRP  40  -0.550   7.518  -0.500
  313    HZ2  TRP  40           HZ2      TRP  40  -1.663  12.357  -0.946
  314    HZ3  TRP  40           HZ3      TRP  40   0.247   9.166   1.144
  315    HH2  TRP  40           HH2      TRP  40  -0.298  11.536   0.923
  316    H    LEU  41           H        LEU  41  -2.559   5.549  -6.106
  317    HA   LEU  41           HA       LEU  41  -3.178   2.757  -5.734
  318   1HB   LEU  41          1HB       LEU  41  -3.455   3.645  -7.937
  319   2HB   LEU  41          2HB       LEU  41  -1.835   4.311  -7.942
  320    HG   LEU  41           HG       LEU  41  -0.924   1.994  -7.948
  321   1HD1  LEU  41          1HD1      LEU  41  -3.817   1.228  -8.321
  322   2HD1  LEU  41          2HD1      LEU  41  -2.437   0.147  -8.509
  323   3HD1  LEU  41          3HD1      LEU  41  -2.805   0.841  -6.930
  324   1HD2  LEU  41          1HD2      LEU  41  -2.806   2.700 -10.196
  325   2HD2  LEU  41          2HD2      LEU  41  -1.132   3.227 -10.024
  326   3HD2  LEU  41          3HD2      LEU  41  -1.497   1.522 -10.291
  327    H    VAL  42           H        VAL  42  -1.850   1.291  -4.830
  328    HA   VAL  42           HA       VAL  42   1.043   1.815  -4.870
  329    HB   VAL  42           HB       VAL  42   1.293   1.155  -2.563
  330   1HG1  VAL  42          1HG1      VAL  42   0.825   3.523  -3.048
  331   2HG1  VAL  42          2HG1      VAL  42  -0.891   3.222  -2.794
  332   3HG1  VAL  42          3HG1      VAL  42   0.243   3.038  -1.456
  333   1HG2  VAL  42          1HG2      VAL  42  -1.704   0.802  -2.567
  334   2HG2  VAL  42          2HG2      VAL  42  -0.490  -0.463  -2.374
  335   3HG2  VAL  42          3HG2      VAL  42  -0.686   0.767  -1.127
  336    H    ARG  43           H        ARG  43   2.389  -0.033  -4.612
  337    HA   ARG  43           HA       ARG  43   1.057  -2.626  -4.990
  338   1HB   ARG  43          1HB       ARG  43   2.793  -3.272  -6.614
  339   2HB   ARG  43          2HB       ARG  43   1.847  -1.903  -7.178
  340   1HG   ARG  43          1HG       ARG  43   3.597  -0.431  -6.973
  341   2HG   ARG  43          2HG       ARG  43   4.416  -1.404  -5.752
  342   1HD   ARG  43          1HD       ARG  43   5.600  -1.457  -7.894
  343   2HD   ARG  43          2HD       ARG  43   5.012  -3.053  -7.433
  344    HE   ARG  43           HE       ARG  43   3.113  -1.797  -9.087
  345   1HH1  ARG  43          1HH1      ARG  43   6.280  -3.242  -9.220
  346   2HH1  ARG  43          2HH1      ARG  43   6.138  -3.709 -10.882
  347   1HH2  ARG  43          1HH2      ARG  43   2.918  -2.404 -11.275
  348   2HH2  ARG  43          2HH2      ARG  43   4.226  -3.234 -12.050
  349    H    THR  44           H        THR  44   1.656  -4.043  -3.489
  350    HA   THR  44           HA       THR  44   3.643  -3.453  -1.570
  351    HB   THR  44           HB       THR  44   3.162  -5.529  -0.559
  352    HG1  THR  44           HG1      THR  44   1.877  -6.407  -2.943
  353   1HG2  THR  44          1HG2      THR  44   1.286  -3.926  -0.544
  354   2HG2  THR  44          2HG2      THR  44   0.640  -4.692  -1.996
  355   3HG2  THR  44          3HG2      THR  44   0.734  -5.600  -0.487
  356    H    LYS  45           H        LYS  45   5.651  -4.358  -1.189
  357    HA   LYS  45           HA       LYS  45   7.195  -4.953  -3.504
  358   1HB   LYS  45          1HB       LYS  45   7.915  -5.134  -0.575
  359   2HB   LYS  45          2HB       LYS  45   9.059  -5.215  -1.907
  360   1HG   LYS  45          1HG       LYS  45   8.710  -2.961  -2.482
  361   2HG   LYS  45          2HG       LYS  45   7.261  -2.851  -1.483
  362   1HD   LYS  45          1HD       LYS  45   9.103  -1.726  -0.386
  363   2HD   LYS  45          2HD       LYS  45   8.656  -3.167   0.527
  364   1HE   LYS  45          1HE       LYS  45  10.516  -4.388  -0.511
  365   2HE   LYS  45          2HE       LYS  45  10.966  -2.932  -1.398
  366   1HZ   LYS  45          1HZ       LYS  45  10.932  -3.202   1.559
  367   2HZ   LYS  45          2HZ       LYS  45  12.316  -3.227   0.587
  368   3HZ   LYS  45          3HZ       LYS  45  11.385  -1.818   0.699
  369    HA   PRO  46           HA       PRO  46   6.490  -9.381  -3.357
  370   1HB   PRO  46          1HB       PRO  46   8.059 -10.069  -5.443
  371   2HB   PRO  46          2HB       PRO  46   6.485  -9.297  -5.662
  372   1HG   PRO  46          1HG       PRO  46   9.221  -8.098  -5.774
  373   2HG   PRO  46          2HG       PRO  46   7.819  -7.787  -6.812
  374   1HD   PRO  46          1HD       PRO  46   8.581  -6.151  -4.757
  375   2HD   PRO  46          2HD       PRO  46   6.911  -6.286  -5.339
  376    H    THR  47           H        THR  47   8.254 -11.315  -3.877
  377    HA   THR  47           HA       THR  47  10.381 -10.866  -1.895
  378    HB   THR  47           HB       THR  47  10.431 -13.377  -1.713
  379    HG1  THR  47           HG1      THR  47   8.463 -14.406  -2.506
  380   1HG2  THR  47          1HG2      THR  47   9.264 -11.999  -0.060
  381   2HG2  THR  47          2HG2      THR  47   7.807 -12.032  -1.055
  382   3HG2  THR  47          3HG2      THR  47   8.414 -13.521  -0.329
  383    H    LYS  48           H        LYS  48   9.989 -13.273  -4.466
  384    HA   LYS  48           HA       LYS  48  12.063 -12.275  -6.115
  385   1HB   LYS  48          1HB       LYS  48  13.386 -13.125  -4.147
  386   2HB   LYS  48          2HB       LYS  48  12.785 -14.736  -4.513
  387   1HG   LYS  48          1HG       LYS  48  13.862 -14.657  -6.696
  388   2HG   LYS  48          2HG       LYS  48  14.445 -13.028  -6.355
  389   1HD   LYS  48          1HD       LYS  48  16.236 -14.564  -5.937
  390   2HD   LYS  48          2HD       LYS  48  15.665 -13.951  -4.384
  391   1HE   LYS  48          1HE       LYS  48  16.062 -16.351  -4.275
  392   2HE   LYS  48          2HE       LYS  48  14.350 -15.990  -4.062
  393   1HZ   LYS  48          1HZ       LYS  48  15.614 -16.907  -6.590
  394   2HZ   LYS  48          2HZ       LYS  48  14.697 -17.871  -5.546
  395   3HZ   LYS  48          3HZ       LYS  48  13.967 -16.584  -6.367
  396    H    SER  49           H        SER  49   9.603 -14.387  -5.281
  397    HA   SER  49           HA       SER  49   9.556 -15.493  -7.987
  398   1HB   SER  49          1HB       SER  49   9.320 -17.186  -5.486
  399   2HB   SER  49          2HB       SER  49   9.021 -17.756  -7.129
  400    HG   SER  49           HG       SER  49  11.313 -16.809  -7.411
  401    H    SER  50           H        SER  50   8.029 -14.029  -5.427
  402    HA   SER  50           HA       SER  50   5.362 -15.009  -6.117
  403   1HB   SER  50          1HB       SER  50   5.918 -14.835  -3.731
  404   2HB   SER  50          2HB       SER  50   6.247 -13.114  -3.928
  405    HG   SER  50           HG       SER  50   4.141 -12.713  -4.137
  406    HA   PRO  51           HA       PRO  51   4.774 -11.602  -8.933
  407   1HB   PRO  51          1HB       PRO  51   2.039 -11.824  -9.073
  408   2HB   PRO  51          2HB       PRO  51   3.165 -12.830  -9.993
  409   1HG   PRO  51          1HG       PRO  51   1.771 -13.439  -7.410
  410   2HG   PRO  51          2HG       PRO  51   1.973 -14.471  -8.841
  411   1HD   PRO  51          1HD       PRO  51   3.523 -14.786  -6.699
  412   2HD   PRO  51          2HD       PRO  51   4.200 -14.929  -8.337
  413    H    SER  52           H        SER  52   4.718  -9.508  -8.435
  414    HA   SER  52           HA       SER  52   3.784  -8.581  -5.909
  415   1HB   SER  52          1HB       SER  52   4.416  -6.345  -6.746
  416   2HB   SER  52          2HB       SER  52   5.693  -7.530  -7.025
  417    HG   SER  52           HG       SER  52   5.557  -6.730  -8.983
  418    H    ARG  53           H        ARG  53   1.917  -7.618  -5.344
  419    HA   ARG  53           HA       ARG  53  -0.124  -7.321  -7.443
  420   1HB   ARG  53          1HB       ARG  53  -0.528  -7.713  -4.472
  421   2HB   ARG  53          2HB       ARG  53  -1.793  -7.639  -5.690
  422   1HG   ARG  53          1HG       ARG  53   0.337  -9.759  -5.503
  423   2HG   ARG  53          2HG       ARG  53  -1.342  -9.931  -4.987
  424   1HD   ARG  53          1HD       ARG  53  -0.401  -9.381  -7.800
  425   2HD   ARG  53          2HD       ARG  53  -0.971 -10.932  -7.187
  426    HE   ARG  53           HE       ARG  53  -3.015  -9.182  -6.683
  427   1HH1  ARG  53          1HH1      ARG  53  -1.260 -10.198  -9.518
  428   2HH1  ARG  53          2HH1      ARG  53  -2.599  -9.953 -10.590
  429   1HH2  ARG  53          1HH2      ARG  53  -4.779  -8.857  -8.088
  430   2HH2  ARG  53          2HH2      ARG  53  -4.597  -9.189  -9.778
  431    H    GLN  54           H        GLN  54  -1.672  -5.562  -7.186
  432    HA   GLN  54           HA       GLN  54  -0.744  -3.313  -5.562
  433   1HB   GLN  54          1HB       GLN  54  -1.142  -1.805  -7.573
  434   2HB   GLN  54          2HB       GLN  54   0.314  -2.790  -7.604
  435   1HG   GLN  54          1HG       GLN  54  -0.885  -4.424  -9.030
  436   2HG   GLN  54          2HG       GLN  54  -2.253  -3.313  -9.080
  437   1HE2  GLN  54          1HE2      GLN  54  -2.097  -1.419 -10.263
  438   2HE2  GLN  54          2HE2      GLN  54  -0.838  -1.147 -11.415
  439    H    GLY  55           H        GLY  55  -2.362  -2.229  -4.621
  440   1HA   GLY  55          1HA       GLY  55  -4.866  -3.000  -4.241
  441   2HA   GLY  55          2HA       GLY  55  -5.024  -2.248  -5.821
  442    H    TRP  56           H        TRP  56  -6.524  -0.780  -4.797
  443    HA   TRP  56           HA       TRP  56  -5.198   1.607  -3.880
  444   1HB   TRP  56          1HB       TRP  56  -8.172   1.120  -4.106
  445   2HB   TRP  56          2HB       TRP  56  -7.345   2.673  -4.060
  446    HD1  TRP  56           HD1      TRP  56  -7.998  -0.294  -6.407
  447    HE1  TRP  56           HE1      TRP  56  -7.563   0.471  -8.826
  448    HE3  TRP  56           HE3      TRP  56  -6.086   4.351  -5.458
  449    HZ2  TRP  56           HZ2      TRP  56  -6.546   2.743 -10.155
  450    HZ3  TRP  56           HZ3      TRP  56  -5.407   5.758  -7.359
  451    HH2  TRP  56           HH2      TRP  56  -5.633   4.969  -9.659
  452    H    VAL  57           H        VAL  57  -4.766   2.057  -1.831
  453    HA   VAL  57           HA       VAL  57  -6.446   0.836   0.262
  454    HB   VAL  57           HB       VAL  57  -4.460   0.939   1.748
  455   1HG1  VAL  57          1HG1      VAL  57  -4.168  -0.671  -0.784
  456   2HG1  VAL  57          2HG1      VAL  57  -3.255  -0.956   0.698
  457   3HG1  VAL  57          3HG1      VAL  57  -5.008  -1.151   0.691
  458   1HG2  VAL  57          1HG2      VAL  57  -3.233   2.707   0.605
  459   2HG2  VAL  57          2HG2      VAL  57  -2.243   1.255   0.755
  460   3HG2  VAL  57          3HG2      VAL  57  -2.994   1.654  -0.790
  461    H    SER  58           H        SER  58  -6.206   2.078   2.407
  462    HA   SER  58           HA       SER  58  -6.788   4.877   1.834
  463   1HB   SER  58          1HB       SER  58  -7.155   3.274   4.376
  464   2HB   SER  58          2HB       SER  58  -7.697   4.934   4.124
  465    HG   SER  58           HG       SER  58  -9.232   4.248   2.761
  466    HA   PRO  59           HA       PRO  59  -2.567   5.692   3.279
  467   1HB   PRO  59          1HB       PRO  59  -2.519   8.304   2.551
  468   2HB   PRO  59          2HB       PRO  59  -2.267   6.986   1.400
  469   1HG   PRO  59          1HG       PRO  59  -4.747   8.571   1.951
  470   2HG   PRO  59          2HG       PRO  59  -4.058   8.077   0.394
  471   1HD   PRO  59          1HD       PRO  59  -6.125   6.768   1.549
  472   2HD   PRO  59          2HD       PRO  59  -4.913   5.941   0.551
  473    H    ALA  60           H        ALA  60  -5.531   6.678   4.441
  474    HA   ALA  60           HA       ALA  60  -4.772   8.760   6.216
  475   1HB   ALA  60          1HB       ALA  60  -7.097   8.366   5.493
  476   2HB   ALA  60          2HB       ALA  60  -7.118   6.877   6.438
  477   3HB   ALA  60          3HB       ALA  60  -6.935   8.433   7.247
  478    H    TYR  61           H        TYR  61  -4.185   5.428   6.240
  479    HA   TYR  61           HA       TYR  61  -3.610   5.487   9.132
  480   1HB   TYR  61          1HB       TYR  61  -4.226   3.066   7.427
  481   2HB   TYR  61          2HB       TYR  61  -3.930   3.069   9.162
  482    HD1  TYR  61           HD1      TYR  61  -5.564   4.458  10.613
  483    HD2  TYR  61           HD2      TYR  61  -6.398   3.263   6.616
  484    HE1  TYR  61           HE1      TYR  61  -7.967   4.782  11.024
  485    HE2  TYR  61           HE2      TYR  61  -8.803   3.586   7.016
  486    HH   TYR  61           HH       TYR  61 -10.364   3.649   8.900
  487    H    LEU  62           H        LEU  62  -2.175   5.679   6.202
  488    HA   LEU  62           HA       LEU  62   0.170   4.086   6.958
  489   1HB   LEU  62          1HB       LEU  62  -1.018   4.956   4.407
  490   2HB   LEU  62          2HB       LEU  62   0.733   5.021   4.469
  491    HG   LEU  62           HG       LEU  62   0.875   2.663   4.932
  492   1HD1  LEU  62          1HD1      LEU  62  -2.144   2.694   5.012
  493   2HD1  LEU  62          2HD1      LEU  62  -1.128   1.243   5.051
  494   3HD1  LEU  62          3HD1      LEU  62  -1.055   2.409   6.382
  495   1HD2  LEU  62          1HD2      LEU  62   0.640   3.339   2.590
  496   2HD2  LEU  62          2HD2      LEU  62  -0.074   1.753   2.885
  497   3HD2  LEU  62          3HD2      LEU  62  -1.111   3.169   2.720
  498    H    ASP  63           H        ASP  63   2.171   4.968   7.230
  499    HA   ASP  63           HA       ASP  63   2.259   7.897   7.462
  500   1HB   ASP  63          1HB       ASP  63   4.045   5.805   8.725
  501   2HB   ASP  63          2HB       ASP  63   4.157   7.543   8.989
  502    H    ARG  64           H        ARG  64   3.634   9.079   6.258
  503    HA   ARG  64           HA       ARG  64   4.982   7.824   4.070
  504   1HB   ARG  64          1HB       ARG  64   3.885  10.051   3.918
  505   2HB   ARG  64          2HB       ARG  64   5.129  10.704   4.976
  506   1HG   ARG  64          1HG       ARG  64   6.835  10.150   3.323
  507   2HG   ARG  64          2HG       ARG  64   5.593   9.480   2.263
  508   1HD   ARG  64          1HD       ARG  64   6.114  11.699   1.518
  509   2HD   ARG  64          2HD       ARG  64   4.501  11.711   2.227
  510    HE   ARG  64           HE       ARG  64   6.421  12.405   4.178
  511   1HH1  ARG  64          1HH1      ARG  64   4.837  13.669   1.343
  512   2HH1  ARG  64          2HH1      ARG  64   4.988  15.322   1.836
  513   1HH2  ARG  64          1HH2      ARG  64   6.626  14.582   4.835
  514   2HH2  ARG  64          2HH2      ARG  64   6.005  15.841   3.822
  515    H    ARG  65           H        ARG  65   6.879   6.860   4.223
  516    HA   ARG  65           HA       ARG  65   9.005   8.133   5.789
  517   1HB   ARG  65          1HB       ARG  65   8.305   5.193   5.916
  518   2HB   ARG  65          2HB       ARG  65   9.723   5.926   6.650
  519   1HG   ARG  65          1HG       ARG  65   6.877   6.612   7.354
  520   2HG   ARG  65          2HG       ARG  65   7.906   5.499   8.256
  521   1HD   ARG  65          1HD       ARG  65   8.451   8.429   7.783
  522   2HD   ARG  65          2HD       ARG  65   7.865   7.717   9.285
  523    HE   ARG  65           HE       ARG  65  10.249   6.439   8.582
  524   1HH1  ARG  65          1HH1      ARG  65   9.127   9.574   9.605
  525   2HH1  ARG  65          2HH1      ARG  65  10.618  10.000  10.376
  526   1HH2  ARG  65          1HH2      ARG  65  12.217   6.990   9.594
  527   2HH2  ARG  65          2HH2      ARG  65  12.375   8.531  10.368
  528    H    LEU  66           H        LEU  66  10.608   8.544   4.427
  529    HA   LEU  66           HA       LEU  66  11.295   6.514   2.414
  530   1HB   LEU  66          1HB       LEU  66  10.117   8.310   1.280
  531   2HB   LEU  66          2HB       LEU  66  11.185   9.500   1.998
  532    HG   LEU  66           HG       LEU  66  13.082   8.524   0.736
  533   1HD1  LEU  66          1HD1      LEU  66  10.941   6.836  -0.552
  534   2HD1  LEU  66          2HD1      LEU  66  12.615   6.960  -1.090
  535   3HD1  LEU  66          3HD1      LEU  66  12.246   6.255   0.484
  536   1HD2  LEU  66          1HD2      LEU  66  11.852  10.441  -0.147
  537   2HD2  LEU  66          2HD2      LEU  66  12.423   9.393  -1.446
  538   3HD2  LEU  66          3HD2      LEU  66  10.728   9.351  -0.958
  539    H    LYS  67           H        LYS  67  13.298   5.823   2.643
  540    HA   LYS  67           HA       LYS  67  15.143   7.055   4.426
  541   1HB   LYS  67          1HB       LYS  67  15.553   4.841   2.407
  542   2HB   LYS  67          2HB       LYS  67  16.707   5.295   3.654
  543   1HG   LYS  67          1HG       LYS  67  15.066   4.694   5.375
  544   2HG   LYS  67          2HG       LYS  67  13.936   4.207   4.109
  545   1HD   LYS  67          1HD       LYS  67  15.529   2.513   3.340
  546   2HD   LYS  67          2HD       LYS  67  16.660   3.003   4.603
  547   1HE   LYS  67          1HE       LYS  67  15.020   2.371   6.310
  548   2HE   LYS  67          2HE       LYS  67  13.898   1.873   5.045
  549   1HZ   LYS  67          1HZ       LYS  67  15.497   0.199   4.341
  550   2HZ   LYS  67          2HZ       LYS  67  16.564   0.672   5.567
  551   3HZ   LYS  67          3HZ       LYS  67  15.072  -0.018   5.963
  552    H    LEU  68           H        LEU  68  14.598   7.189   0.996
  553    HA   LEU  68           HA       LEU  68  17.148   8.373   0.376
  554   1HB   LEU  68          1HB       LEU  68  15.678   6.967  -1.178
  555   2HB   LEU  68          2HB       LEU  68  14.693   8.403  -1.365
  556    HG   LEU  68           HG       LEU  68  17.635   8.500  -1.948
  557   1HD1  LEU  68          1HD1      LEU  68  16.750   6.616  -3.227
  558   2HD1  LEU  68          2HD1      LEU  68  15.470   7.647  -3.865
  559   3HD1  LEU  68          3HD1      LEU  68  17.152   7.973  -4.279
  560   1HD2  LEU  68          1HD2      LEU  68  15.246  10.035  -2.965
  561   2HD2  LEU  68          2HD2      LEU  68  16.457  10.615  -1.820
  562   3HD2  LEU  68          3HD2      LEU  68  16.912  10.275  -3.490

  No H/Q in entry =         562
  Start of MODEL   20
    1    H1   ILE   1           H1       ILE   1  11.363   7.352  -8.656
    2    H2   ILE   1           H2       ILE   1  10.787   8.914  -8.359
    3    H3   ILE   1           H3       ILE   1  12.451   8.617  -8.382
    4    HA   ILE   1           HA       ILE   1  12.273   7.219  -6.438
    5    HB   ILE   1           HB       ILE   1  11.614   8.971  -4.788
    6   1HG1  ILE   1          1HG1      ILE   1  10.997  10.620  -7.250
    7   2HG1  ILE   1          2HG1      ILE   1   9.776   9.937  -6.180
    8   1HG2  ILE   1          1HG2      ILE   1  13.871   8.877  -5.697
    9   2HG2  ILE   1          2HG2      ILE   1  13.379   9.890  -7.054
   10   3HG2  ILE   1          3HG2      ILE   1  13.378  10.548  -5.417
   11   1HD1  ILE   1          1HD1      ILE   1  10.664  11.275  -4.334
   12   2HD1  ILE   1          2HD1      ILE   1  11.859  11.974  -5.427
   13   3HD1  ILE   1          3HD1      ILE   1  10.141  12.275  -5.689
   14    H    PHE   2           H        PHE   2  11.025   6.322  -4.763
   15    HA   PHE   2           HA       PHE   2   8.112   6.360  -5.187
   16   1HB   PHE   2          1HB       PHE   2   9.499   3.847  -4.317
   17   2HB   PHE   2          2HB       PHE   2   7.931   4.040  -5.092
   18    HD1  PHE   2           HD1      PHE   2   7.878   4.742  -7.528
   19    HD2  PHE   2           HD2      PHE   2  11.405   3.380  -5.574
   20    HE1  PHE   2           HE1      PHE   2   8.897   4.254  -9.714
   21    HE2  PHE   2           HE2      PHE   2  12.430   2.891  -7.757
   22    HZ   PHE   2           HZ       PHE   2  11.175   3.328  -9.830
   23    H    ASP   3           H        ASP   3   6.871   6.438  -3.367
   24    HA   ASP   3           HA       ASP   3   8.320   6.660  -0.819
   25   1HB   ASP   3          1HB       ASP   3   5.563   7.675  -1.548
   26   2HB   ASP   3          2HB       ASP   3   6.396   7.951  -0.020
   27    H    ILE   4           H        ILE   4   8.336   4.753   0.200
   28    HA   ILE   4           HA       ILE   4   6.126   2.916   0.038
   29    HB   ILE   4           HB       ILE   4   8.630   2.750   1.717
   30   1HG1  ILE   4          1HG1      ILE   4   8.053   1.457  -0.956
   31   2HG1  ILE   4          2HG1      ILE   4   9.022   2.913  -0.758
   32   1HG2  ILE   4          1HG2      ILE   4   6.809   1.324   2.506
   33   2HG2  ILE   4          2HG2      ILE   4   6.664   0.618   0.897
   34   3HG2  ILE   4          3HG2      ILE   4   8.133   0.369   1.840
   35   1HD1  ILE   4          1HD1      ILE   4   9.653   0.216   0.419
   36   2HD1  ILE   4          2HD1      ILE   4  10.402   0.922  -1.012
   37   3HD1  ILE   4          3HD1      ILE   4  10.636   1.673   0.565
   38    H    TYR   5           H        TYR   5   4.397   3.080   1.264
   39    HA   TYR   5           HA       TYR   5   4.534   4.463   3.839
   40   1HB   TYR   5          1HB       TYR   5   2.167   3.578   2.180
   41   2HB   TYR   5          2HB       TYR   5   2.057   4.427   3.717
   42    HD1  TYR   5           HD1      TYR   5   2.778   6.783   3.888
   43    HD2  TYR   5           HD2      TYR   5   2.709   4.740   0.156
   44    HE1  TYR   5           HE1      TYR   5   2.896   8.940   2.712
   45    HE2  TYR   5           HE2      TYR   5   2.828   6.892  -1.030
   46    HH   TYR   5           HH       TYR   5   3.584   9.816   0.534
   47    H    VAL   6           H        VAL   6   4.494   3.384   5.709
   48    HA   VAL   6           HA       VAL   6   4.144   0.494   5.645
   49    HB   VAL   6           HB       VAL   6   6.088   1.323   6.831
   50   1HG1  VAL   6          1HG1      VAL   6   5.235   3.521   7.452
   51   2HG1  VAL   6          2HG1      VAL   6   4.141   2.776   8.617
   52   3HG1  VAL   6          3HG1      VAL   6   5.886   2.674   8.855
   53   1HG2  VAL   6          1HG2      VAL   6   5.047  -0.723   7.656
   54   2HG2  VAL   6          2HG2      VAL   6   5.765   0.194   8.980
   55   3HG2  VAL   6          3HG2      VAL   6   4.018   0.223   8.732
   56    H    VAL   7           H        VAL   7   2.505  -0.604   6.562
   57    HA   VAL   7           HA       VAL   7   0.188   0.910   7.440
   58    HB   VAL   7           HB       VAL   7   0.513  -2.078   7.124
   59   1HG1  VAL   7          1HG1      VAL   7  -1.322  -1.481   8.608
   60   2HG1  VAL   7          2HG1      VAL   7  -1.962  -0.376   7.392
   61   3HG1  VAL   7          3HG1      VAL   7  -1.937  -2.111   7.079
   62   1HG2  VAL   7          1HG2      VAL   7   0.871  -0.898   5.014
   63   2HG2  VAL   7          2HG2      VAL   7  -0.640  -1.806   4.992
   64   3HG2  VAL   7          3HG2      VAL   7  -0.665  -0.058   5.220
   65    H    THR   8           H        THR   8  -0.321   1.264   9.505
   66    HA   THR   8           HA       THR   8   0.677  -0.583  11.556
   67    HB   THR   8           HB       THR   8   1.227   1.321  13.039
   68    HG1  THR   8           HG1      THR   8   0.479   2.773  10.735
   69   1HG2  THR   8          1HG2      THR   8   2.705   1.290  10.405
   70   2HG2  THR   8          2HG2      THR   8   3.321   1.964  11.914
   71   3HG2  THR   8          3HG2      THR   8   3.008   0.235  11.785
   72    H    ALA   9           H        ALA   9  -1.971   0.208  10.217
   73    HA   ALA   9           HA       ALA   9  -3.454   0.629  12.728
   74   1HB   ALA   9          1HB       ALA   9  -4.262   1.644  10.007
   75   2HB   ALA   9          2HB       ALA   9  -3.546   2.624  11.285
   76   3HB   ALA   9          3HB       ALA   9  -5.131   1.888  11.522
   77    H    ASP  10           H        ASP  10  -2.661  -1.673  10.683
   78    HA   ASP  10           HA       ASP  10  -3.551  -3.650   9.986
   79   1HB   ASP  10          1HB       ASP  10  -4.038  -3.900  12.375
   80   2HB   ASP  10          2HB       ASP  10  -5.563  -3.045  12.167
   81    H    TYR  11           H        TYR  11  -4.143  -2.998   7.914
   82    HA   TYR  11           HA       TYR  11  -6.932  -2.147   7.547
   83   1HB   TYR  11          1HB       TYR  11  -5.120  -0.713   6.583
   84   2HB   TYR  11          2HB       TYR  11  -4.673  -2.056   5.539
   85    HD1  TYR  11           HD1      TYR  11  -6.099  -2.710   3.672
   86    HD2  TYR  11           HD2      TYR  11  -7.140   0.565   6.182
   87    HE1  TYR  11           HE1      TYR  11  -7.743  -1.961   2.004
   88    HE2  TYR  11           HE2      TYR  11  -8.787   1.321   4.522
   89    HH   TYR  11           HH       TYR  11  -9.216   1.099   2.120
   90    H    LEU  12           H        LEU  12  -7.978  -4.118   7.658
   91    HA   LEU  12           HA       LEU  12  -7.288  -6.052   5.546
   92   1HB   LEU  12          1HB       LEU  12  -8.326  -6.454   8.329
   93   2HB   LEU  12          2HB       LEU  12  -8.635  -7.655   7.090
   94    HG   LEU  12           HG       LEU  12  -6.154  -7.830   6.746
   95   1HD1  LEU  12          1HD1      LEU  12  -6.131  -6.060   9.179
   96   2HD1  LEU  12          2HD1      LEU  12  -4.752  -7.025   8.655
   97   3HD1  LEU  12          3HD1      LEU  12  -5.385  -5.752   7.612
   98   1HD2  LEU  12          1HD2      LEU  12  -7.386  -9.463   8.069
   99   2HD2  LEU  12          2HD2      LEU  12  -5.782  -9.185   8.746
  100   3HD2  LEU  12          3HD2      LEU  12  -7.198  -8.457   9.504
  101    HA   PRO  13           HA       PRO  13 -11.214  -5.021   3.720
  102   1HB   PRO  13          1HB       PRO  13 -11.105  -7.764   2.612
  103   2HB   PRO  13          2HB       PRO  13 -11.240  -6.218   1.772
  104   1HG   PRO  13          1HG       PRO  13  -8.962  -7.606   1.732
  105   2HG   PRO  13          2HG       PRO  13  -8.953  -5.835   1.833
  106   1HD   PRO  13          1HD       PRO  13  -8.513  -7.861   3.994
  107   2HD   PRO  13          2HD       PRO  13  -7.675  -6.321   3.704
  108    H    LEU  14           H        LEU  14 -13.252  -5.205   4.441
  109    HA   LEU  14           HA       LEU  14 -13.878  -7.439   6.215
  110   1HB   LEU  14          1HB       LEU  14 -15.968  -5.927   6.630
  111   2HB   LEU  14          2HB       LEU  14 -14.427  -5.544   7.369
  112    HG   LEU  14           HG       LEU  14 -14.245  -4.102   5.075
  113   1HD1  LEU  14          1HD1      LEU  14 -17.154  -4.228   5.825
  114   2HD1  LEU  14          2HD1      LEU  14 -16.448  -2.896   4.915
  115   3HD1  LEU  14          3HD1      LEU  14 -16.423  -4.527   4.250
  116   1HD2  LEU  14          1HD2      LEU  14 -15.502  -3.234   7.674
  117   2HD2  LEU  14          2HD2      LEU  14 -13.774  -3.308   7.326
  118   3HD2  LEU  14          3HD2      LEU  14 -14.800  -2.164   6.460
  119    H    GLY  15           H        GLY  15 -14.435  -9.105   4.902
  120   1HA   GLY  15          1HA       GLY  15 -17.046  -8.956   3.673
  121   2HA   GLY  15          2HA       GLY  15 -16.043 -10.390   3.825
  122    H    ALA  16           H        ALA  16 -17.187  -8.000   1.740
  123    HA   ALA  16           HA       ALA  16 -15.215  -8.755  -0.317
  124   1HB   ALA  16          1HB       ALA  16 -17.369  -9.887  -0.670
  125   2HB   ALA  16          2HB       ALA  16 -16.989  -8.760  -1.971
  126   3HB   ALA  16          3HB       ALA  16 -18.169  -8.317  -0.739
  127    H    GLU  17           H        GLU  17 -13.984  -6.961  -0.456
  128    HA   GLU  17           HA       GLU  17 -15.332  -4.360  -0.701
  129   1HB   GLU  17          1HB       GLU  17 -13.586  -4.664   1.085
  130   2HB   GLU  17          2HB       GLU  17 -12.398  -4.873  -0.194
  131   1HG   GLU  17          1HG       GLU  17 -12.330  -2.615   0.644
  132   2HG   GLU  17          2HG       GLU  17 -12.908  -2.623  -1.020
  133    H    GLN  18           H        GLN  18 -14.640  -2.883  -2.344
  134    HA   GLN  18           HA       GLN  18 -13.958  -4.256  -4.813
  135   1HB   GLN  18          1HB       GLN  18 -14.813  -1.404  -4.290
  136   2HB   GLN  18          2HB       GLN  18 -14.522  -2.083  -5.885
  137   1HG   GLN  18          1HG       GLN  18 -16.854  -2.116  -5.557
  138   2HG   GLN  18          2HG       GLN  18 -16.303  -3.780  -5.373
  139   1HE2  GLN  18          1HE2      GLN  18 -18.072  -4.379  -4.152
  140   2HE2  GLN  18          2HE2      GLN  18 -18.302  -3.852  -2.522
  141    H    ASP  19           H        ASP  19 -12.173  -3.917  -6.034
  142    HA   ASP  19           HA       ASP  19  -9.915  -3.644  -6.314
  143   1HB   ASP  19          1HB       ASP  19  -9.291  -1.293  -6.647
  144   2HB   ASP  19          2HB       ASP  19 -10.855  -1.653  -7.369
  145    H    ALA  20           H        ALA  20 -10.425  -4.421  -3.666
  146    HA   ALA  20           HA       ALA  20  -8.484  -2.814  -2.139
  147   1HB   ALA  20          1HB       ALA  20 -10.674  -2.933  -1.092
  148   2HB   ALA  20          2HB       ALA  20  -9.477  -3.788  -0.121
  149   3HB   ALA  20          3HB       ALA  20 -10.610  -4.695  -1.121
  150    H    ILE  21           H        ILE  21  -6.614  -3.693  -1.505
  151    HA   ILE  21           HA       ILE  21  -6.130  -6.507  -2.193
  152    HB   ILE  21           HB       ILE  21  -4.618  -4.934  -3.262
  153   1HG1  ILE  21          1HG1      ILE  21  -3.195  -6.430  -1.047
  154   2HG1  ILE  21          2HG1      ILE  21  -3.765  -7.158  -2.544
  155   1HG2  ILE  21          1HG2      ILE  21  -3.908  -4.063  -0.463
  156   2HG2  ILE  21          2HG2      ILE  21  -3.070  -3.560  -1.932
  157   3HG2  ILE  21          3HG2      ILE  21  -4.755  -3.107  -1.680
  158   1HD1  ILE  21          1HD1      ILE  21  -2.258  -5.678  -3.802
  159   2HD1  ILE  21          2HD1      ILE  21  -1.657  -5.028  -2.276
  160   3HD1  ILE  21          3HD1      ILE  21  -1.401  -6.728  -2.674
  161    H    THR  22           H        THR  22  -5.313  -7.959  -0.723
  162    HA   THR  22           HA       THR  22  -5.948  -7.533   2.007
  163    HB   THR  22           HB       THR  22  -4.953  -9.746   2.405
  164    HG1  THR  22           HG1      THR  22  -4.411 -10.554  -0.049
  165   1HG2  THR  22          1HG2      THR  22  -6.640  -9.611  -0.097
  166   2HG2  THR  22          2HG2      THR  22  -6.416 -11.039   0.913
  167   3HG2  THR  22          3HG2      THR  22  -7.241  -9.622   1.561
  168    H    LEU  23           H        LEU  23  -4.820  -6.287   3.332
  169    HA   LEU  23           HA       LEU  23  -1.878  -6.403   3.201
  170   1HB   LEU  23          1HB       LEU  23  -3.630  -4.023   3.814
  171   2HB   LEU  23          2HB       LEU  23  -1.889  -4.046   4.025
  172    HG   LEU  23           HG       LEU  23  -3.325  -4.400   1.392
  173   1HD1  LEU  23          1HD1      LEU  23  -3.542  -2.133   2.255
  174   2HD1  LEU  23          2HD1      LEU  23  -1.796  -2.047   2.490
  175   3HD1  LEU  23          3HD1      LEU  23  -2.461  -2.181   0.862
  176   1HD2  LEU  23          1HD2      LEU  23  -0.390  -4.145   2.037
  177   2HD2  LEU  23          2HD2      LEU  23  -1.208  -5.590   1.446
  178   3HD2  LEU  23          3HD2      LEU  23  -1.085  -4.164   0.416
  179    H    ARG  24           H        ARG  24  -0.752  -6.317   5.152
  180    HA   ARG  24           HA       ARG  24  -2.394  -6.773   7.557
  181   1HB   ARG  24          1HB       ARG  24   0.287  -8.000   6.883
  182   2HB   ARG  24          2HB       ARG  24  -0.613  -8.262   8.370
  183   1HG   ARG  24          1HG       ARG  24  -2.407  -9.322   7.119
  184   2HG   ARG  24          2HG       ARG  24  -1.541  -9.029   5.611
  185   1HD   ARG  24          1HD       ARG  24   0.313 -10.426   6.427
  186   2HD   ARG  24          2HD       ARG  24  -0.593 -10.742   7.907
  187    HE   ARG  24           HE       ARG  24  -2.238 -11.485   5.818
  188   1HH1  ARG  24          1HH1      ARG  24   0.886 -12.409   7.056
  189   2HH1  ARG  24          2HH1      ARG  24   0.760 -14.046   6.509
  190   1HH2  ARG  24          1HH2      ARG  24  -2.412 -13.637   5.093
  191   2HH2  ARG  24          2HH2      ARG  24  -1.115 -14.745   5.392
  192    H    GLU  25           H        GLU  25  -1.680  -5.899   9.502
  193    HA   GLU  25           HA       GLU  25  -0.393  -3.404   9.338
  194   1HB   GLU  25          1HB       GLU  25  -2.026  -3.960  11.082
  195   2HB   GLU  25          2HB       GLU  25  -0.912  -5.132  11.763
  196   1HG   GLU  25          1HG       GLU  25   0.651  -3.356  12.310
  197   2HG   GLU  25          2HG       GLU  25  -0.428  -2.170  11.578
  198    H    GLY  26           H        GLY  26   1.673  -3.279   8.692
  199   1HA   GLY  26          1HA       GLY  26   3.642  -5.010  10.055
  200   2HA   GLY  26          2HA       GLY  26   3.916  -3.289   9.832
  201    H    GLN  27           H        GLN  27   2.480  -3.717   7.112
  202    HA   GLN  27           HA       GLN  27   4.648  -5.039   5.670
  203   1HB   GLN  27          1HB       GLN  27   1.793  -4.796   5.340
  204   2HB   GLN  27          2HB       GLN  27   2.626  -4.256   3.895
  205   1HG   GLN  27          1HG       GLN  27   3.835  -6.384   3.806
  206   2HG   GLN  27          2HG       GLN  27   2.970  -6.916   5.248
  207   1HE2  GLN  27          1HE2      GLN  27   2.731  -6.215   1.852
  208   2HE2  GLN  27          2HE2      GLN  27   1.204  -6.980   1.593
  209    H    TYR  28           H        TYR  28   5.200  -4.027   3.513
  210    HA   TYR  28           HA       TYR  28   5.211  -1.087   3.667
  211   1HB   TYR  28          1HB       TYR  28   7.570  -2.754   2.783
  212   2HB   TYR  28          2HB       TYR  28   7.521  -1.010   2.993
  213    HD1  TYR  28           HD1      TYR  28   7.945  -4.212   4.632
  214    HD2  TYR  28           HD2      TYR  28   7.399  -0.043   5.276
  215    HE1  TYR  28           HE1      TYR  28   8.716  -4.476   6.952
  216    HE2  TYR  28           HE2      TYR  28   8.169  -0.295   7.598
  217    HH   TYR  28           HH       TYR  28   9.721  -3.073   8.730
  218    H    VAL  29           H        VAL  29   4.913  -0.019   1.753
  219    HA   VAL  29           HA       VAL  29   5.194  -1.361  -0.779
  220    HB   VAL  29           HB       VAL  29   3.052  -2.261  -0.235
  221   1HG1  VAL  29          1HG1      VAL  29   2.452  -0.695   1.546
  222   2HG1  VAL  29          2HG1      VAL  29   2.152   0.559   0.343
  223   3HG1  VAL  29          3HG1      VAL  29   1.139  -0.883   0.384
  224   1HG2  VAL  29          1HG2      VAL  29   3.385  -1.412  -2.538
  225   2HG2  VAL  29          2HG2      VAL  29   1.695  -1.424  -2.038
  226   3HG2  VAL  29          3HG2      VAL  29   2.595   0.091  -2.064
  227    H    GLU  30           H        GLU  30   5.932   0.098  -2.161
  228    HA   GLU  30           HA       GLU  30   5.851   2.896  -1.640
  229   1HB   GLU  30          1HB       GLU  30   7.039   3.094  -3.787
  230   2HB   GLU  30          2HB       GLU  30   7.773   1.895  -2.735
  231   1HG   GLU  30          1HG       GLU  30   6.689   0.111  -3.989
  232   2HG   GLU  30          2HG       GLU  30   5.925   1.306  -5.036
  233    H    VAL  31           H        VAL  31   4.953   4.533  -2.979
  234    HA   VAL  31           HA       VAL  31   2.365   3.777  -4.081
  235    HB   VAL  31           HB       VAL  31   2.500   5.643  -2.461
  236   1HG1  VAL  31          1HG1      VAL  31   4.671   6.542  -3.115
  237   2HG1  VAL  31          2HG1      VAL  31   3.999   7.063  -4.660
  238   3HG1  VAL  31          3HG1      VAL  31   3.428   7.793  -3.159
  239   1HG2  VAL  31          1HG2      VAL  31   0.650   5.515  -4.039
  240   2HG2  VAL  31          2HG2      VAL  31   1.082   7.194  -3.714
  241   3HG2  VAL  31          3HG2      VAL  31   1.583   6.432  -5.223
  242    H    LEU  32           H        LEU  32   1.692   4.243  -6.160
  243    HA   LEU  32           HA       LEU  32   3.865   4.767  -8.072
  244   1HB   LEU  32          1HB       LEU  32   1.222   3.398  -8.560
  245   2HB   LEU  32          2HB       LEU  32   2.540   3.551  -9.705
  246    HG   LEU  32           HG       LEU  32   2.729   2.022  -7.111
  247   1HD1  LEU  32          1HD1      LEU  32   1.086   1.002  -8.599
  248   2HD1  LEU  32          2HD1      LEU  32   2.265   1.005  -9.911
  249   3HD1  LEU  32          3HD1      LEU  32   2.541   0.014  -8.479
  250   1HD2  LEU  32          1HD2      LEU  32   4.536   2.208  -9.519
  251   2HD2  LEU  32          2HD2      LEU  32   4.883   2.769  -7.883
  252   3HD2  LEU  32          3HD2      LEU  32   4.727   1.042  -8.209
  253    H    ASP  33           H        ASP  33   0.352   4.959  -8.476
  254    HA   ASP  33           HA       ASP  33   0.478   7.229 -10.139
  255   1HB   ASP  33          1HB       ASP  33  -1.369   5.593 -10.191
  256   2HB   ASP  33          2HB       ASP  33  -1.895   6.151  -8.607
  257    H    ALA  34           H        ALA  34  -1.250   7.100  -7.029
  258    HA   ALA  34           HA       ALA  34  -1.540   8.633  -5.377
  259   1HB   ALA  34          1HB       ALA  34   0.836   8.546  -5.048
  260   2HB   ALA  34          2HB       ALA  34   0.313  10.223  -4.918
  261   3HB   ALA  34          3HB       ALA  34   1.108   9.658  -6.387
  262    H    ALA  35           H        ALA  35  -3.391   9.581  -6.190
  263    HA   ALA  35           HA       ALA  35  -3.054  12.302  -7.152
  264   1HB   ALA  35          1HB       ALA  35  -4.555  12.025  -9.050
  265   2HB   ALA  35          2HB       ALA  35  -4.678  10.298  -8.714
  266   3HB   ALA  35          3HB       ALA  35  -3.136  10.990  -9.215
  267    H    HIS  36           H        HIS  36  -5.803  10.039  -7.131
  268    HA   HIS  36           HA       HIS  36  -7.608  11.891  -6.047
  269   1HB   HIS  36          1HB       HIS  36  -8.068   9.678  -7.295
  270   2HB   HIS  36          2HB       HIS  36  -7.911   8.916  -5.715
  271    HD1  HIS  36           HD1      HIS  36 -10.290   8.284  -5.254
  272    HD2  HIS  36           HD2      HIS  36  -9.902  12.254  -6.420
  273    HE1  HIS  36           HE1      HIS  36 -12.569   9.302  -4.944
  274    HE2  HIS  36           HE2      HIS  36 -12.325  11.687  -5.718
  275    HA   PRO  37           HA       PRO  37  -6.011  12.086  -1.832
  276   1HB   PRO  37          1HB       PRO  37  -8.815  13.084  -1.486
  277   2HB   PRO  37          2HB       PRO  37  -7.313  13.752  -0.859
  278   1HG   PRO  37          1HG       PRO  37  -8.424  14.888  -2.886
  279   2HG   PRO  37          2HG       PRO  37  -6.678  14.625  -2.910
  280   1HD   PRO  37          1HD       PRO  37  -8.833  13.118  -4.345
  281   2HD   PRO  37          2HD       PRO  37  -7.214  13.579  -4.910
  282    H    LEU  38           H        LEU  38  -9.023  10.583  -2.825
  283    HA   LEU  38           HA       LEU  38  -9.747   9.382  -0.397
  284   1HB   LEU  38          1HB       LEU  38 -11.231   9.544  -2.349
  285   2HB   LEU  38          2HB       LEU  38 -10.224   8.396  -3.209
  286    HG   LEU  38           HG       LEU  38 -10.775   6.704  -1.432
  287   1HD1  LEU  38          1HD1      LEU  38 -11.435   8.274   0.322
  288   2HD1  LEU  38          2HD1      LEU  38 -12.828   8.765  -0.642
  289   3HD1  LEU  38          3HD1      LEU  38 -12.718   7.116  -0.027
  290   1HD2  LEU  38          1HD2      LEU  38 -13.064   7.856  -3.020
  291   2HD2  LEU  38          2HD2      LEU  38 -11.879   6.686  -3.596
  292   3HD2  LEU  38          3HD2      LEU  38 -13.012   6.239  -2.320
  293    H    ARG  39           H        ARG  39  -8.166   7.814  -3.192
  294    HA   ARG  39           HA       ARG  39  -6.512   6.257  -1.360
  295   1HB   ARG  39          1HB       ARG  39  -7.095   4.145  -2.558
  296   2HB   ARG  39          2HB       ARG  39  -8.420   4.818  -1.619
  297   1HG   ARG  39          1HG       ARG  39  -9.235   5.871  -3.767
  298   2HG   ARG  39          2HG       ARG  39  -8.054   4.857  -4.598
  299   1HD   ARG  39          1HD       ARG  39 -10.254   3.808  -4.591
  300   2HD   ARG  39          2HD       ARG  39  -9.098   2.861  -3.657
  301    HE   ARG  39           HE       ARG  39 -10.383   4.553  -1.875
  302   1HH1  ARG  39          1HH1      ARG  39 -11.230   1.944  -4.024
  303   2HH1  ARG  39          2HH1      ARG  39 -12.549   1.396  -3.044
  304   1HH2  ARG  39          1HH2      ARG  39 -12.118   3.840  -0.581
  305   2HH2  ARG  39          2HH2      ARG  39 -13.054   2.473  -1.088
  306    H    TRP  40           H        TRP  40  -4.675   5.272  -2.369
  307    HA   TRP  40           HA       TRP  40  -4.067   6.394  -5.029
  308   1HB   TRP  40          1HB       TRP  40  -2.179   5.982  -2.702
  309   2HB   TRP  40          2HB       TRP  40  -1.695   6.506  -4.310
  310    HD1  TRP  40           HD1      TRP  40  -4.314   8.555  -4.546
  311    HE1  TRP  40           HE1      TRP  40  -4.114  10.816  -3.332
  312    HE3  TRP  40           HE3      TRP  40  -0.592   7.379  -1.242
  313    HZ2  TRP  40           HZ2      TRP  40  -2.582  11.952  -1.252
  314    HZ3  TRP  40           HZ3      TRP  40   0.184   9.111   0.325
  315    HH2  TRP  40           HH2      TRP  40  -0.790  11.349   0.318
  316    H    LEU  41           H        LEU  41  -2.817   5.146  -6.443
  317    HA   LEU  41           HA       LEU  41  -3.150   2.298  -6.127
  318   1HB   LEU  41          1HB       LEU  41  -3.561   3.179  -8.301
  319   2HB   LEU  41          2HB       LEU  41  -2.030   4.031  -8.323
  320    HG   LEU  41           HG       LEU  41  -0.837   1.876  -8.449
  321   1HD1  LEU  41          1HD1      LEU  41  -2.475   0.476  -7.302
  322   2HD1  LEU  41          2HD1      LEU  41  -3.600   0.681  -8.644
  323   3HD1  LEU  41          3HD1      LEU  41  -2.081  -0.179  -8.891
  324   1HD2  LEU  41          1HD2      LEU  41  -1.417   3.083 -10.492
  325   2HD2  LEU  41          2HD2      LEU  41  -1.450   1.339 -10.746
  326   3HD2  LEU  41          3HD2      LEU  41  -2.960   2.232 -10.560
  327    H    VAL  42           H        VAL  42  -1.717   1.031  -5.143
  328    HA   VAL  42           HA       VAL  42   1.137   1.695  -5.354
  329    HB   VAL  42           HB       VAL  42   1.548   1.261  -3.038
  330   1HG1  VAL  42          1HG1      VAL  42   0.705   3.526  -3.712
  331   2HG1  VAL  42          2HG1      VAL  42  -0.883   3.036  -3.125
  332   3HG1  VAL  42          3HG1      VAL  42   0.481   3.124  -2.010
  333   1HG2  VAL  42          1HG2      VAL  42  -1.390   0.604  -2.812
  334   2HG2  VAL  42          2HG2      VAL  42  -0.043  -0.523  -2.651
  335   3HG2  VAL  42          3HG2      VAL  42  -0.276   0.749  -1.453
  336    H    ARG  43           H        ARG  43   2.531  -0.043  -5.469
  337    HA   ARG  43           HA       ARG  43   1.266  -2.704  -5.499
  338   1HB   ARG  43          1HB       ARG  43   2.741  -3.384  -7.272
  339   2HB   ARG  43          2HB       ARG  43   1.957  -1.887  -7.755
  340   1HG   ARG  43          1HG       ARG  43   3.928  -0.626  -7.366
  341   2HG   ARG  43          2HG       ARG  43   4.715  -1.984  -6.563
  342   1HD   ARG  43          1HD       ARG  43   5.545  -1.663  -8.848
  343   2HD   ARG  43          2HD       ARG  43   4.761  -3.228  -8.640
  344    HE   ARG  43           HE       ARG  43   2.753  -1.769  -9.608
  345   1HH1  ARG  43          1HH1      ARG  43   6.072  -2.052 -10.629
  346   2HH1  ARG  43          2HH1      ARG  43   5.726  -1.716 -12.292
  347   1HH2  ARG  43          1HH2      ARG  43   2.287  -1.323 -11.799
  348   2HH2  ARG  43          2HH2      ARG  43   3.575  -1.301 -12.957
  349    H    THR  44           H        THR  44   2.043  -4.128  -4.076
  350    HA   THR  44           HA       THR  44   4.098  -3.411  -2.261
  351    HB   THR  44           HB       THR  44   3.850  -5.627  -1.307
  352    HG1  THR  44           HG1      THR  44   2.745  -7.233  -2.352
  353   1HG2  THR  44          1HG2      THR  44   1.198  -4.470  -2.173
  354   2HG2  THR  44          2HG2      THR  44   1.431  -5.610  -0.848
  355   3HG2  THR  44          3HG2      THR  44   2.130  -3.995  -0.754
  356    H    LYS  45           H        LYS  45   6.218  -3.884  -2.195
  357    HA   LYS  45           HA       LYS  45   7.570  -4.614  -4.548
  358   1HB   LYS  45          1HB       LYS  45   8.549  -4.546  -1.689
  359   2HB   LYS  45          2HB       LYS  45   9.591  -4.709  -3.096
  360   1HG   LYS  45          1HG       LYS  45   8.891  -2.528  -3.898
  361   2HG   LYS  45          2HG       LYS  45   7.785  -2.365  -2.534
  362   1HD   LYS  45          1HD       LYS  45   9.792  -1.116  -2.073
  363   2HD   LYS  45          2HD       LYS  45   9.729  -2.516  -1.001
  364   1HE   LYS  45          1HE       LYS  45  11.296  -3.706  -2.416
  365   2HE   LYS  45          2HE       LYS  45  11.305  -2.374  -3.571
  366   1HZ   LYS  45          1HZ       LYS  45  12.226  -2.189  -0.752
  367   2HZ   LYS  45          2HZ       LYS  45  13.241  -2.349  -2.097
  368   3HZ   LYS  45          3HZ       LYS  45  12.298  -0.958  -1.910
  369    HA   PRO  46           HA       PRO  46   7.450  -9.036  -4.077
  370   1HB   PRO  46          1HB       PRO  46   8.907  -9.685  -6.248
  371   2HB   PRO  46          2HB       PRO  46   7.273  -9.026  -6.369
  372   1HG   PRO  46          1HG       PRO  46   9.866  -7.749  -6.953
  373   2HG   PRO  46          2HG       PRO  46   8.257  -7.366  -7.578
  374   1HD   PRO  46          1HD       PRO  46   9.690  -6.041  -5.491
  375   2HD   PRO  46          2HD       PRO  46   8.050  -5.696  -6.072
  376    H    THR  47           H        THR  47   8.557 -10.104  -2.570
  377    HA   THR  47           HA       THR  47  11.439  -9.715  -2.315
  378    HB   THR  47           HB       THR  47  10.174  -9.547  -0.252
  379    HG1  THR  47           HG1      THR  47  11.452 -10.922   0.930
  380   1HG2  THR  47          1HG2      THR  47   8.270 -10.966  -0.897
  381   2HG2  THR  47          2HG2      THR  47   9.300 -12.392  -0.768
  382   3HG2  THR  47          3HG2      THR  47   8.937 -11.434   0.668
  383    H    LYS  48           H        LYS  48  12.933 -11.250  -2.707
  384    HA   LYS  48           HA       LYS  48  13.893 -13.145  -3.506
  385   1HB   LYS  48          1HB       LYS  48  12.781 -14.181  -1.556
  386   2HB   LYS  48          2HB       LYS  48  11.362 -14.492  -2.545
  387   1HG   LYS  48          1HG       LYS  48  12.612 -16.511  -2.385
  388   2HG   LYS  48          2HG       LYS  48  12.783 -15.895  -4.029
  389   1HD   LYS  48          1HD       LYS  48  14.963 -14.947  -3.446
  390   2HD   LYS  48          2HD       LYS  48  14.792 -15.562  -1.801
  391   1HE   LYS  48          1HE       LYS  48  16.207 -17.037  -3.107
  392   2HE   LYS  48          2HE       LYS  48  14.703 -17.852  -2.681
  393   1HZ   LYS  48          1HZ       LYS  48  13.861 -17.354  -4.901
  394   2HZ   LYS  48          2HZ       LYS  48  15.324 -16.605  -5.305
  395   3HZ   LYS  48          3HZ       LYS  48  15.285 -18.264  -4.978
  396    H    SER  49           H        SER  49  10.574 -14.181  -4.160
  397    HA   SER  49           HA       SER  49  10.756 -13.500  -6.959
  398   1HB   SER  49          1HB       SER  49  10.701 -16.404  -6.100
  399   2HB   SER  49          2HB       SER  49  10.505 -15.827  -7.755
  400    HG   SER  49           HG       SER  49  12.602 -15.091  -7.732
  401    H    SER  50           H        SER  50   9.007 -13.046  -4.605
  402    HA   SER  50           HA       SER  50   6.564 -14.474  -5.143
  403   1HB   SER  50          1HB       SER  50   5.610 -12.997  -3.400
  404   2HB   SER  50          2HB       SER  50   7.083 -13.796  -2.856
  405    HG   SER  50           HG       SER  50   8.108 -11.927  -2.835
  406    HA   PRO  51           HA       PRO  51   5.046 -11.937  -8.445
  407   1HB   PRO  51          1HB       PRO  51   2.350 -12.268  -7.852
  408   2HB   PRO  51          2HB       PRO  51   3.323 -13.372  -8.829
  409   1HG   PRO  51          1HG       PRO  51   2.609 -13.545  -5.929
  410   2HG   PRO  51          2HG       PRO  51   2.654 -14.831  -7.151
  411   1HD   PRO  51          1HD       PRO  51   4.621 -14.573  -5.386
  412   2HD   PRO  51          2HD       PRO  51   4.982 -14.968  -7.082
  413    H    SER  52           H        SER  52   4.554  -9.823  -8.671
  414    HA   SER  52           HA       SER  52   4.004  -8.304  -6.240
  415   1HB   SER  52          1HB       SER  52   4.604  -6.329  -7.603
  416   2HB   SER  52          2HB       SER  52   5.873  -7.554  -7.624
  417    HG   SER  52           HG       SER  52   5.395  -8.039  -9.679
  418    H    ARG  53           H        ARG  53   2.148  -7.269  -5.831
  419    HA   ARG  53           HA       ARG  53   0.122  -7.148  -7.967
  420   1HB   ARG  53          1HB       ARG  53  -0.279  -7.882  -5.063
  421   2HB   ARG  53          2HB       ARG  53  -1.592  -7.542  -6.182
  422   1HG   ARG  53          1HG       ARG  53   0.177  -9.504  -7.305
  423   2HG   ARG  53          2HG       ARG  53  -0.348  -9.999  -5.695
  424   1HD   ARG  53          1HD       ARG  53  -1.847 -10.791  -7.500
  425   2HD   ARG  53          2HD       ARG  53  -2.659  -9.763  -6.318
  426    HE   ARG  53           HE       ARG  53  -1.850  -8.079  -8.337
  427   1HH1  ARG  53          1HH1      ARG  53  -3.876 -10.904  -8.080
  428   2HH1  ARG  53          2HH1      ARG  53  -4.926 -10.426  -9.372
  429   1HH2  ARG  53          1HH2      ARG  53  -3.226  -7.442 -10.037
  430   2HH2  ARG  53          2HH2      ARG  53  -4.555  -8.457 -10.485
  431    H    GLN  54           H        GLN  54  -1.468  -5.451  -7.731
  432    HA   GLN  54           HA       GLN  54  -0.576  -3.230  -6.016
  433   1HB   GLN  54          1HB       GLN  54  -1.295  -1.690  -7.877
  434   2HB   GLN  54          2HB       GLN  54   0.153  -2.633  -8.198
  435   1HG   GLN  54          1HG       GLN  54  -1.099  -4.164  -9.575
  436   2HG   GLN  54          2HG       GLN  54  -2.604  -3.337  -9.178
  437   1HE2  GLN  54          1HE2      GLN  54   0.376  -3.179 -10.959
  438   2HE2  GLN  54          2HE2      GLN  54  -0.074  -1.873 -11.996
  439    H    GLY  55           H        GLY  55  -2.102  -2.358  -4.785
  440   1HA   GLY  55          1HA       GLY  55  -4.435  -3.195  -4.018
  441   2HA   GLY  55          2HA       GLY  55  -4.916  -2.592  -5.596
  442    H    TRP  56           H        TRP  56  -6.264  -0.983  -4.857
  443    HA   TRP  56           HA       TRP  56  -4.986   1.463  -4.089
  444   1HB   TRP  56          1HB       TRP  56  -7.935   0.819  -4.301
  445   2HB   TRP  56          2HB       TRP  56  -7.231   2.430  -4.200
  446    HD1  TRP  56           HD1      TRP  56  -7.440  -0.570  -6.613
  447    HE1  TRP  56           HE1      TRP  56  -7.051   0.293  -9.007
  448    HE3  TRP  56           HE3      TRP  56  -6.265   4.290  -5.545
  449    HZ2  TRP  56           HZ2      TRP  56  -6.340   2.711 -10.274
  450    HZ3  TRP  56           HZ3      TRP  56  -5.743   5.813  -7.406
  451    HH2  TRP  56           HH2      TRP  56  -5.780   5.037  -9.721
  452    H    VAL  57           H        VAL  57  -4.467   2.016  -2.090
  453    HA   VAL  57           HA       VAL  57  -6.008   0.866   0.146
  454    HB   VAL  57           HB       VAL  57  -3.302   2.071   0.540
  455   1HG1  VAL  57          1HG1      VAL  57  -4.771  -0.215   1.846
  456   2HG1  VAL  57          2HG1      VAL  57  -3.176   0.376   2.312
  457   3HG1  VAL  57          3HG1      VAL  57  -4.589   1.416   2.488
  458   1HG2  VAL  57          1HG2      VAL  57  -3.788  -0.718  -0.500
  459   2HG2  VAL  57          2HG2      VAL  57  -2.983   0.596  -1.360
  460   3HG2  VAL  57          3HG2      VAL  57  -2.244  -0.096   0.084
  461    H    SER  58           H        SER  58  -5.949   2.279   2.153
  462    HA   SER  58           HA       SER  58  -6.695   4.996   1.376
  463   1HB   SER  58          1HB       SER  58  -7.159   3.493   3.963
  464   2HB   SER  58          2HB       SER  58  -7.761   5.110   3.601
  465    HG   SER  58           HG       SER  58  -8.361   3.139   1.748
  466    HA   PRO  59           HA       PRO  59  -2.571   6.072   2.977
  467   1HB   PRO  59          1HB       PRO  59  -2.730   8.698   2.202
  468   2HB   PRO  59          2HB       PRO  59  -2.196   7.385   1.148
  469   1HG   PRO  59          1HG       PRO  59  -4.874   8.701   1.326
  470   2HG   PRO  59          2HG       PRO  59  -3.970   8.188  -0.110
  471   1HD   PRO  59          1HD       PRO  59  -6.017   6.747   0.880
  472   2HD   PRO  59          2HD       PRO  59  -4.606   5.979   0.127
  473    H    ALA  60           H        ALA  60  -5.676   7.051   3.884
  474    HA   ALA  60           HA       ALA  60  -4.954   9.072   5.780
  475   1HB   ALA  60          1HB       ALA  60  -7.175   9.033   4.791
  476   2HB   ALA  60          2HB       ALA  60  -7.488   7.458   5.522
  477   3HB   ALA  60          3HB       ALA  60  -7.275   8.878   6.545
  478    H    TYR  61           H        TYR  61  -4.351   5.849   5.743
  479    HA   TYR  61           HA       TYR  61  -4.237   5.732   8.679
  480   1HB   TYR  61          1HB       TYR  61  -5.014   3.429   6.876
  481   2HB   TYR  61          2HB       TYR  61  -4.876   3.375   8.630
  482    HD1  TYR  61           HD1      TYR  61  -6.439   4.940   9.968
  483    HD2  TYR  61           HD2      TYR  61  -7.059   3.935   5.880
  484    HE1  TYR  61           HE1      TYR  61  -8.805   5.575  10.176
  485    HE2  TYR  61           HE2      TYR  61  -9.426   4.567   6.076
  486    HH   TYR  61           HH       TYR  61 -11.132   4.793   7.837
  487    H    LEU  62           H        LEU  62  -2.370   6.110   6.204
  488    HA   LEU  62           HA       LEU  62  -0.463   3.962   6.787
  489   1HB   LEU  62          1HB       LEU  62  -0.983   5.714   4.469
  490   2HB   LEU  62          2HB       LEU  62   0.703   5.369   4.791
  491    HG   LEU  62           HG       LEU  62  -0.038   3.790   3.186
  492   1HD1  LEU  62          1HD1      LEU  62   1.410   2.883   4.929
  493   2HD1  LEU  62          2HD1      LEU  62  -0.016   2.426   5.875
  494   3HD1  LEU  62          3HD1      LEU  62   0.289   1.661   4.307
  495   1HD2  LEU  62          1HD2      LEU  62  -2.326   3.174   5.052
  496   2HD2  LEU  62          2HD2      LEU  62  -2.435   4.023   3.510
  497   3HD2  LEU  62          3HD2      LEU  62  -1.969   2.323   3.550
  498    H    ASP  63           H        ASP  63   1.911   4.833   6.417
  499    HA   ASP  63           HA       ASP  63   2.358   7.382   7.756
  500   1HB   ASP  63          1HB       ASP  63   2.271   5.781   9.604
  501   2HB   ASP  63          2HB       ASP  63   3.453   4.757   8.795
  502    H    ARG  64           H        ARG  64   4.340   8.313   7.261
  503    HA   ARG  64           HA       ARG  64   5.547   7.437   4.839
  504   1HB   ARG  64          1HB       ARG  64   5.386   9.799   5.341
  505   2HB   ARG  64          2HB       ARG  64   6.357   9.594   6.792
  506   1HG   ARG  64          1HG       ARG  64   8.308   9.121   5.512
  507   2HG   ARG  64          2HG       ARG  64   7.373   9.018   4.019
  508   1HD   ARG  64          1HD       ARG  64   8.573  11.141   4.177
  509   2HD   ARG  64          2HD       ARG  64   6.828  11.386   4.181
  510    HE   ARG  64           HE       ARG  64   7.543  11.273   6.825
  511   1HH1  ARG  64          1HH1      ARG  64   8.452  13.227   4.085
  512   2HH1  ARG  64          2HH1      ARG  64   8.785  14.633   5.039
  513   1HH2  ARG  64          1HH2      ARG  64   7.977  13.119   8.084
  514   2HH2  ARG  64          2HH2      ARG  64   8.515  14.573   7.311
  515    H    ARG  65           H        ARG  65   7.167   6.083   4.529
  516    HA   ARG  65           HA       ARG  65   9.163   5.674   6.630
  517   1HB   ARG  65          1HB       ARG  65   7.409   3.911   6.868
  518   2HB   ARG  65          2HB       ARG  65   7.762   3.390   5.226
  519   1HG   ARG  65          1HG       ARG  65   8.894   1.917   6.695
  520   2HG   ARG  65          2HG       ARG  65  10.115   2.959   5.963
  521   1HD   ARG  65          1HD       ARG  65  10.219   4.316   7.950
  522   2HD   ARG  65          2HD       ARG  65   8.878   3.429   8.671
  523    HE   ARG  65           HE       ARG  65  11.067   1.720   8.012
  524   1HH1  ARG  65          1HH1      ARG  65   9.893   3.993  10.379
  525   2HH1  ARG  65          2HH1      ARG  65  10.815   3.313  11.678
  526   1HH2  ARG  65          1HH2      ARG  65  12.284   0.818   9.719
  527   2HH2  ARG  65          2HH2      ARG  65  12.175   1.511  11.303
  528    H    LEU  66           H        LEU  66  11.055   6.099   5.701
  529    HA   LEU  66           HA       LEU  66  11.395   5.500   2.843
  530   1HB   LEU  66          1HB       LEU  66  11.813   7.838   4.101
  531   2HB   LEU  66          2HB       LEU  66  13.401   7.126   4.300
  532    HG   LEU  66           HG       LEU  66  13.347   8.561   2.341
  533   1HD1  LEU  66          1HD1      LEU  66  14.785   6.577   2.298
  534   2HD1  LEU  66          2HD1      LEU  66  13.478   5.655   1.554
  535   3HD1  LEU  66          3HD1      LEU  66  14.206   7.008   0.688
  536   1HD2  LEU  66          1HD2      LEU  66  11.172   6.727   1.343
  537   2HD2  LEU  66          2HD2      LEU  66  10.981   8.415   1.815
  538   3HD2  LEU  66          3HD2      LEU  66  11.953   7.999   0.405
  539    H    LYS  67           H        LYS  67  12.815   4.019   2.174
  540    HA   LYS  67           HA       LYS  67  14.457   2.674   4.198
  541   1HB   LYS  67          1HB       LYS  67  13.274   1.828   1.583
  542   2HB   LYS  67          2HB       LYS  67  14.707   1.004   2.177
  543   1HG   LYS  67          1HG       LYS  67  12.705  -0.204   2.796
  544   2HG   LYS  67          2HG       LYS  67  13.521   0.417   4.232
  545   1HD   LYS  67          1HD       LYS  67  11.928   2.185   4.459
  546   2HD   LYS  67          2HD       LYS  67  11.207   1.809   2.891
  547   1HE   LYS  67          1HE       LYS  67   9.868   0.990   4.807
  548   2HE   LYS  67          2HE       LYS  67  10.386  -0.296   3.717
  549   1HZ   LYS  67          1HZ       LYS  67  11.706   0.405   6.283
  550   2HZ   LYS  67          2HZ       LYS  67  10.657  -0.902   6.050
  551   3HZ   LYS  67          3HZ       LYS  67  12.147  -0.859   5.251
  552    H    LEU  68           H        LEU  68  16.018   4.431   4.151
  553    HA   LEU  68           HA       LEU  68  18.128   3.895   2.264
  554   1HB   LEU  68          1HB       LEU  68  16.717   5.512   1.038
  555   2HB   LEU  68          2HB       LEU  68  16.890   6.649   2.360
  556    HG   LEU  68           HG       LEU  68  19.342   6.704   1.937
  557   1HD1  LEU  68          1HD1      LEU  68  18.611   5.052  -0.478
  558   2HD1  LEU  68          2HD1      LEU  68  20.178   5.811  -0.192
  559   3HD1  LEU  68          3HD1      LEU  68  19.607   4.535   0.883
  560   1HD2  LEU  68          1HD2      LEU  68  17.586   7.419  -0.409
  561   2HD2  LEU  68          2HD2      LEU  68  17.882   8.419   1.013
  562   3HD2  LEU  68          3HD2      LEU  68  19.201   8.055  -0.100

  No H/Q in entry =         562