*HEADER    DE NOVO PROTEIN                         14-JAN-16   2NAY              
*TITLE     THE STRUCTURE OF THE BT1.8 PEPTIDE SYNTHESIZED BY SOLID-PHASE METHOD  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CONOTOXIN BT1.8;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 21-36;                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS BETULINUS;                                
*SOURCE   4 ORGANISM_COMMON: BEECH CONE;                                         
*SOURCE   5 ORGANISM_TAXID: 89764                                                
*KEYWDS    HELIX, DE NOVO PROTEIN                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.CHENYUN, H.BILING                                                   
*REVDAT   1   03-FEB-16 2NAY    0                                                


assign (segid "    " and resid    1 and name  HA2) (segid "    " and resid    3 and name   HN) 3.520 1.548 1.548 weight 1.000 ! spec=H2O NOESY, no=3, id=0, vol=7.070000e+06
assign (segid "    " and resid    1 and name  HA1) (segid "    " and resid    3 and name   HN) 3.232 1.305 1.305 weight 1.000 ! spec=H2O NOESY, no=4, id=1, vol=1.180000e+07
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    3 and name   HN) 4.021 2.021 2.021 weight 1.000 ! spec=H2O NOESY, no=6, id=3, vol=3.180000e+06
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    2 and name   HA) 2.724 0.927 0.927 weight 1.000 ! spec=H2O NOESY, no=7, id=4, vol=3.290000e+07
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid    8 and name   HN) 3.328 1.384 1.384 weight 1.000 ! spec=H2O NOESY, no=8, id=5, vol=9.900000e+06
assign (segid "    " and resid    2 and name   HA) (segid "    " and resid   14 and name HD21) 3.676 1.689 1.689 weight 1.000 ! spec=H2O NOESY, no=9, id=6, vol=5.450000e+06
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name   HN) 2.378 0.707 0.707 weight 1.000 ! spec=H2O NOESY, no=10, id=7, vol=7.440000e+07
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    2 and name   HA) 2.660 0.885 0.885 weight 1.000 ! spec=H2O NOESY, no=11, id=8, vol=3.790000e+07
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    6 and name  HD1) 4.000 2.000 2.000 weight 1.000 ! spec=H2O NOESY, no=12, id=9, vol=3.280000e+06
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    8 and name   HN) 2.837 1.006 3.163 weight 1.000 ! spec=H2O NOESY, no=13, id=10, vol=2.580000e+07
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    8 and name  HB2) 2.601 0.846 0.846 weight 1.000 ! spec=H2O NOESY, no=14, id=11, vol=4.340000e+07
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid    8 and name  HB1) 2.827 0.999 0.999 weight 1.000 ! spec=H2O NOESY, no=15, id=12, vol=2.630000e+07
assign (segid "    " and resid    2 and name  HB2) (segid "    " and resid   14 and name HD21) 2.896 1.048 1.048 weight 1.000 ! spec=H2O NOESY, no=16, id=13, vol=2.280000e+07
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name   HN) 2.550 0.813 0.813 weight 1.000 ! spec=H2O NOESY, no=17, id=14, vol=4.890000e+07
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name   HA) 2.434 0.741 0.741 weight 1.000 ! spec=H2O NOESY, no=18, id=15, vol=6.460000e+07
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name  HB2) 1.824 0.416 0.416 weight 1.000 ! spec=H2O NOESY, no=19, id=16, vol=3.650000e+08
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    6 and name  HD1) 3.029 1.147 2.971 weight 1.000 ! spec=H2O NOESY, no=20, id=17, vol=1.740000e+07
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    8 and name   HN) 3.290 1.353 1.353 weight 1.000 ! spec=H2O NOESY, no=21, id=18, vol=1.060000e+07
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    8 and name  HB2) 2.891 1.045 1.045 weight 1.000 ! spec=H2O NOESY, no=22, id=19, vol=2.300000e+07
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid   14 and name HD21) 2.774 0.962 0.962 weight 1.000 ! spec=H2O NOESY, no=23, id=20, vol=2.950000e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name   HN) 2.477 0.767 0.767 weight 1.000 ! spec=H2O NOESY, no=24, id=21, vol=5.820000e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid   15 and name HE22) 2.617 0.856 0.856 weight 1.000 ! spec=H2O NOESY, no=25, id=22, vol=4.180000e+07
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    4 and name   HN) 3.227 1.302 1.302 weight 1.000 ! spec=H2O NOESY, no=26, id=23, vol=1.190000e+07
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid   14 and name HD22) 2.887 1.042 1.042 weight 1.000 ! spec=H2O NOESY, no=27, id=24, vol=2.320000e+07
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name   HN) 2.288 0.654 0.654 weight 1.000 ! spec=H2O NOESY, no=28, id=25, vol=9.370000e+07
assign (segid "    " and resid    3 and name  HB1) (segid "    " and resid    3 and name   HA) 2.805 0.983 0.983 weight 1.000 ! spec=H2O NOESY, no=29, id=26, vol=2.760000e+07
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name   HN) 2.606 0.849 0.849 weight 1.000 ! spec=H2O NOESY, no=30, id=27, vol=4.290000e+07
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid   15 and name HE22) 2.118 0.561 3.882 weight 1.000 ! spec=H2O NOESY, no=31, id=28, vol=1.490000e+08
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    4 and name   HN) 2.681 0.898 0.898 weight 1.000 ! spec=H2O NOESY, no=32, id=29, vol=3.620000e+07
assign (segid "    " and resid    4 and name   HA) (segid "    " and resid    5 and name   HN) 3.535 1.562 1.562 weight 1.000 ! spec=H2O NOESY, no=33, id=30, vol=6.890000e+06
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HN) 3.020 1.140 1.140 weight 1.000 ! spec=H2O NOESY, no=34, id=31, vol=1.770000e+07
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HA) 2.891 1.045 1.045 weight 1.000 ! spec=H2O NOESY, no=35, id=32, vol=2.300000e+07
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HN) 2.287 0.654 0.654 weight 1.000 ! spec=H2O NOESY, no=36, id=33, vol=9.390000e+07
assign (segid "    " and resid    4 and name  HB1) (segid "    " and resid    4 and name   HA) 5.146 3.310 3.310 weight 1.000 ! spec=H2O NOESY, no=37, id=34, vol=7.240000e+05
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name   HN) 2.793 0.975 0.975 weight 1.000 ! spec=H2O NOESY, no=38, id=35, vol=2.830000e+07
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    9 and name   HN) 2.374 0.704 3.626 weight 1.000 ! spec=H2O NOESY, no=39, id=36, vol=7.510000e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HN) 2.933 1.075 1.075 weight 1.000 ! spec=H2O NOESY, no=40, id=37, vol=2.110000e+07
assign (segid "    " and resid    5 and name  HB2) (segid "    " and resid    5 and name   HA) 2.819 0.993 0.993 weight 1.000 ! spec=H2O NOESY, no=41, id=38, vol=2.680000e+07
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name   HN) 2.339 0.684 3.661 weight 1.000 ! spec=H2O NOESY, no=42, id=39, vol=8.210000e+07
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid    5 and name   HA) 2.298 0.660 0.660 weight 1.000 ! spec=H2O NOESY, no=43, id=40, vol=9.130000e+07
assign (segid "    " and resid    5 and name  HB1) (segid "    " and resid   12 and name HD21) 5.371 3.606 3.606 weight 1.000 ! spec=H2O NOESY, no=44, id=41, vol=5.600000e+05
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name   HA) 2.282 0.651 0.651 weight 1.000 ! spec=H2O NOESY, no=45, id=42, vol=9.510000e+07
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name  HD2) 3.081 1.187 1.187 weight 1.000 ! spec=H2O NOESY, no=46, id=43, vol=1.570000e+07
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    6 and name  HD1) 3.172 1.257 1.257 weight 1.000 ! spec=H2O NOESY, no=47, id=44, vol=1.320000e+07
assign (segid "    " and resid    6 and name  HB2) (segid "    " and resid    7 and name   HN) 3.133 1.227 1.227 weight 1.000 ! spec=H2O NOESY, no=48, id=45, vol=1.420000e+07
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    1 and name  HA2) 2.530 0.800 0.800 weight 1.000 ! spec=H2O NOESY, no=49, id=46, vol=5.130000e+07
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    6 and name   HA) 3.689 1.701 1.701 weight 1.000 ! spec=H2O NOESY, no=50, id=47, vol=5.330000e+06
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    6 and name  HD2) 2.674 0.893 0.893 weight 1.000 ! spec=H2O NOESY, no=51, id=48, vol=3.680000e+07
assign (segid "    " and resid    6 and name  HB1) (segid "    " and resid    7 and name   HN) 3.044 1.158 1.158 weight 1.000 ! spec=H2O NOESY, no=52, id=49, vol=1.690000e+07
assign (segid "    " and resid    6 and name  HD2) (segid "    " and resid    2 and name   HA) 2.234 0.624 0.624 weight 1.000 ! spec=H2O NOESY, no=53, id=50, vol=1.080000e+08
assign (segid "    " and resid    6 and name  HD2) (segid "    " and resid    6 and name   HA) 3.593 1.613 1.613 weight 1.000 ! spec=H2O NOESY, no=54, id=51, vol=6.250000e+06
assign (segid "    " and resid    6 and name  HD1) (segid "    " and resid    2 and name   HA) 2.396 0.718 0.718 weight 1.000 ! spec=H2O NOESY, no=55, id=52, vol=7.100000e+07
assign (segid "    " and resid    6 and name  HD1) (segid "    " and resid    6 and name   HA) 5.583 3.896 3.896 weight 1.000 ! spec=H2O NOESY, no=56, id=53, vol=4.440000e+05
assign (segid "    " and resid    6 and name  HG2) (segid "    " and resid    6 and name  HD2) 2.435 0.741 0.741 weight 1.000 ! spec=H2O NOESY, no=57, id=54, vol=6.440000e+07
assign (segid "    " and resid    6 and name  HG2) (segid "    " and resid    6 and name  HD1) 2.556 0.817 0.817 weight 1.000 ! spec=H2O NOESY, no=58, id=55, vol=4.820000e+07
assign (segid "    " and resid    6 and name  HG2) (segid "    " and resid    7 and name   HN) 2.653 0.880 0.880 weight 1.000 ! spec=H2O NOESY, no=59, id=56, vol=3.850000e+07
assign (segid "    " and resid    6 and name  HG1) (segid "    " and resid    6 and name   HA) 2.504 0.784 3.496 weight 1.000 ! spec=H2O NOESY, no=60, id=57, vol=5.450000e+07
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name   HN) 2.520 0.794 0.794 weight 1.000 ! spec=H2O NOESY, no=61, id=58, vol=5.250000e+07
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    9 and name   HN) 3.843 1.846 1.846 weight 1.000 ! spec=H2O NOESY, no=62, id=59, vol=4.170000e+06
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid   10 and name   HN) 3.740 1.749 1.749 weight 1.000 ! spec=H2O NOESY, no=63, id=60, vol=4.910000e+06
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    5 and name HD21) 3.944 1.944 1.944 weight 1.000 ! spec=H2O NOESY, no=64, id=61, vol=3.570000e+06
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid    5 and name HD21)
    or (segid "    " and resid    7 and name  HB3) (segid "    " and resid    5 and name HD21)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HN) 2.256 0.636 0.636 weight 1.000 ! spec=H2O NOESY, no=65, id=62, vol=1.020000e+08
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HN)
    or (segid "    " and resid    7 and name  HB3) (segid "    " and resid    7 and name   HN)
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    7 and name   HA) 2.283 0.651 0.651 weight 1.000 ! spec=H2O NOESY, no=66, id=63, vol=9.500000e+07
    or (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HA)
    or (segid "    " and resid    7 and name  HB3) (segid "    " and resid    7 and name   HA)
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name   HN) 2.621 0.858 0.858 weight 1.000 ! spec=H2O NOESY, no=67, id=64, vol=4.150000e+07
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name HD22) 3.241 1.313 1.313 weight 1.000 ! spec=H2O NOESY, no=68, id=65, vol=1.160000e+07
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HN) 2.501 0.782 3.499 weight 1.000 ! spec=H2O NOESY, no=69, id=66, vol=5.490000e+07
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HA) 2.566 0.823 0.823 weight 1.000 ! spec=H2O NOESY, no=70, id=67, vol=4.710000e+07
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    9 and name   HN) 2.504 0.784 0.784 weight 1.000 ! spec=H2O NOESY, no=71, id=68, vol=5.450000e+07
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid   14 and name HD21) 3.393 1.439 1.439 weight 1.000 ! spec=H2O NOESY, no=72, id=69, vol=8.810000e+06
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HN) 2.458 0.755 0.755 weight 1.000 ! spec=H2O NOESY, no=73, id=70, vol=6.090000e+07
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name   HA) 2.383 0.710 0.710 weight 1.000 ! spec=H2O NOESY, no=74, id=71, vol=7.340000e+07
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    8 and name  HB2) 1.926 0.464 0.464 weight 1.000 ! spec=H2O NOESY, no=75, id=72, vol=2.630000e+08
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid    9 and name   HN) 2.540 0.807 0.807 weight 1.000 ! spec=H2O NOESY, no=76, id=73, vol=5.000000e+07
assign (segid "    " and resid    8 and name  HB1) (segid "    " and resid   14 and name HD21) 3.402 1.447 1.447 weight 1.000 ! spec=H2O NOESY, no=77, id=74, vol=8.670000e+06
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name   HN) 2.510 0.787 0.787 weight 1.000 ! spec=H2O NOESY, no=78, id=75, vol=5.380000e+07
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   10 and name   HN) 2.980 1.110 1.110 weight 1.000 ! spec=H2O NOESY, no=79, id=76, vol=1.920000e+07
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   12 and name HD21) 5.282 3.487 3.487 weight 1.000 ! spec=H2O NOESY, no=80, id=77, vol=6.190000e+05
assign (segid "    " and resid    9 and name HD12) (segid "    " and resid    5 and name   HA) 2.484 0.771 0.771 weight 1.000 ! spec=H2O NOESY, no=81, id=78, vol=5.720000e+07
    or (segid "    " and resid    9 and name HD11) (segid "    " and resid    5 and name   HA)
    or (segid "    " and resid    9 and name HD13) (segid "    " and resid    5 and name   HA)
assign (segid "    " and resid    9 and name HD12) (segid "    " and resid    8 and name  HB1) 4.583 2.626 2.626 weight 1.000 ! spec=H2O NOESY, no=83, id=80, vol=1.450000e+06
    or (segid "    " and resid    9 and name HD11) (segid "    " and resid    8 and name  HB1)
    or (segid "    " and resid    9 and name HD13) (segid "    " and resid    8 and name  HB1)
assign (segid "    " and resid    9 and name HD12) (segid "    " and resid    9 and name   HN) 2.424 0.735 0.735 weight 1.000 ! spec=H2O NOESY, no=84, id=81, vol=6.620000e+07
    or (segid "    " and resid    9 and name HD11) (segid "    " and resid    9 and name   HN)
    or (segid "    " and resid    9 and name HD13) (segid "    " and resid    9 and name   HN)
assign (segid "    " and resid    9 and name HD12) (segid "    " and resid    9 and name   HA) 2.486 0.773 0.773 weight 1.000 ! spec=H2O NOESY, no=85, id=82, vol=5.690000e+07
    or (segid "    " and resid    9 and name HD11) (segid "    " and resid    9 and name   HA)
    or (segid "    " and resid    9 and name HD13) (segid "    " and resid    9 and name   HA)
assign (segid "    " and resid    9 and name HD12) (segid "    " and resid    9 and name HG12) 1.988 0.494 0.494 weight 1.000 ! spec=H2O NOESY, no=86, id=83, vol=2.180000e+08
    or (segid "    " and resid    9 and name HD11) (segid "    " and resid    9 and name HG12)
    or (segid "    " and resid    9 and name HD13) (segid "    " and resid    9 and name HG12)
assign (segid "    " and resid    9 and name HD12) (segid "    " and resid    9 and name HG22) 2.353 0.692 0.692 weight 1.000 ! spec=H2O NOESY, no=87, id=84, vol=7.920000e+07
    or (segid "    " and resid    9 and name HD12) (segid "    " and resid    9 and name HG21)
    or (segid "    " and resid    9 and name HD12) (segid "    " and resid    9 and name HG23)
    or (segid "    " and resid    9 and name HD11) (segid "    " and resid    9 and name HG22)
    or (segid "    " and resid    9 and name HD11) (segid "    " and resid    9 and name HG21)
    or (segid "    " and resid    9 and name HD11) (segid "    " and resid    9 and name HG23)
    or (segid "    " and resid    9 and name HD13) (segid "    " and resid    9 and name HG22)
    or (segid "    " and resid    9 and name HD13) (segid "    " and resid    9 and name HG21)
    or (segid "    " and resid    9 and name HD13) (segid "    " and resid    9 and name HG23)
assign (segid "    " and resid    9 and name HD12) (segid "    " and resid   10 and name   HN) 3.101 1.202 1.202 weight 1.000 ! spec=H2O NOESY, no=88, id=85, vol=1.510000e+07
    or (segid "    " and resid    9 and name HD11) (segid "    " and resid   10 and name   HN)
    or (segid "    " and resid    9 and name HD13) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid    9 and name HD12) (segid "    " and resid   15 and name  HG2) 2.330 0.679 0.679 weight 1.000 ! spec=H2O NOESY, no=89, id=86, vol=8.390000e+07
    or (segid "    " and resid    9 and name HD11) (segid "    " and resid   15 and name  HG2)
    or (segid "    " and resid    9 and name HD13) (segid "    " and resid   15 and name  HG2)
assign (segid "    " and resid    9 and name HG12) (segid "    " and resid    5 and name   HA) 2.494 0.777 0.777 weight 1.000 ! spec=H2O NOESY, no=90, id=87, vol=5.590000e+07
assign (segid "    " and resid    9 and name HG12) (segid "    " and resid    8 and name   HN) 3.081 1.187 1.187 weight 1.000 ! spec=H2O NOESY, no=91, id=88, vol=1.570000e+07
assign (segid "    " and resid    9 and name HG12) (segid "    " and resid    9 and name   HN) 2.120 0.562 0.562 weight 1.000 ! spec=H2O NOESY, no=92, id=89, vol=1.480000e+08
assign (segid "    " and resid    9 and name HG12) (segid "    " and resid    9 and name   HA) 2.433 0.740 3.567 weight 1.000 ! spec=H2O NOESY, no=93, id=90, vol=6.480000e+07
assign (segid "    " and resid    9 and name HG12) (segid "    " and resid   10 and name   HN) 2.589 0.838 0.838 weight 1.000 ! spec=H2O NOESY, no=94, id=91, vol=4.460000e+07
assign (segid "    " and resid    9 and name HG11) (segid "    " and resid    5 and name   HN) 3.409 1.453 1.453 weight 1.000 ! spec=H2O NOESY, no=95, id=92, vol=8.560000e+06
assign (segid "    " and resid    9 and name HG22) (segid "    " and resid    8 and name  HB1) 4.836 2.924 2.924 weight 1.000 ! spec=H2O NOESY, no=96, id=93, vol=1.050000e+06
    or (segid "    " and resid    9 and name HG21) (segid "    " and resid    8 and name  HB1)
    or (segid "    " and resid    9 and name HG23) (segid "    " and resid    8 and name  HB1)
assign (segid "    " and resid    9 and name HG22) (segid "    " and resid    9 and name   HA) 2.579 0.831 0.831 weight 1.000 ! spec=H2O NOESY, no=97, id=94, vol=4.570000e+07
    or (segid "    " and resid    9 and name HG21) (segid "    " and resid    9 and name   HA)
    or (segid "    " and resid    9 and name HG23) (segid "    " and resid    9 and name   HA)
assign (segid "    " and resid    9 and name HG22) (segid "    " and resid    9 and name   HB) 1.995 0.498 0.498 weight 1.000 ! spec=H2O NOESY, no=98, id=95, vol=2.130000e+08
    or (segid "    " and resid    9 and name HG21) (segid "    " and resid    9 and name   HB)
    or (segid "    " and resid    9 and name HG23) (segid "    " and resid    9 and name   HB)
assign (segid "    " and resid    9 and name HG22) (segid "    " and resid   10 and name   HN) 4.821 2.906 2.906 weight 1.000 ! spec=H2O NOESY, no=99, id=96, vol=1.070000e+06
    or (segid "    " and resid    9 and name HG21) (segid "    " and resid   10 and name   HN)
    or (segid "    " and resid    9 and name HG23) (segid "    " and resid   10 and name   HN)
assign (segid "    " and resid    9 and name HG22) (segid "    " and resid   15 and name  HG2) 2.145 0.575 0.575 weight 1.000 ! spec=H2O NOESY, no=100, id=97, vol=1.380000e+08
    or (segid "    " and resid    9 and name HG21) (segid "    " and resid   15 and name  HG2)
    or (segid "    " and resid    9 and name HG23) (segid "    " and resid   15 and name  HG2)
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    8 and name   HN) 3.209 1.287 1.287 weight 1.000 ! spec=H2O NOESY, no=101, id=98, vol=1.230000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name   HN) 2.615 0.855 0.855 weight 1.000 ! spec=H2O NOESY, no=102, id=99, vol=4.200000e+07
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name   HN) 2.957 1.093 1.093 weight 1.000 ! spec=H2O NOESY, no=103, id=100, vol=2.010000e+07
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   11 and name   HN) 3.009 1.132 1.132 weight 1.000 ! spec=H2O NOESY, no=104, id=101, vol=1.810000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid    7 and name   HA) 3.059 1.170 1.170 weight 1.000 ! spec=H2O NOESY, no=105, id=102, vol=1.640000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HN) 2.532 0.801 0.801 weight 1.000 ! spec=H2O NOESY, no=106, id=103, vol=5.100000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name   HA) 2.652 0.879 0.879 weight 1.000 ! spec=H2O NOESY, no=107, id=104, vol=3.860000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   11 and name   HN) 3.280 1.344 1.344 weight 1.000 ! spec=H2O NOESY, no=108, id=105, vol=1.080000e+07
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid    7 and name   HA) 3.718 1.728 1.728 weight 1.000 ! spec=H2O NOESY, no=109, id=106, vol=5.090000e+06
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HN) 3.056 1.167 1.167 weight 1.000 ! spec=H2O NOESY, no=110, id=107, vol=1.650000e+07
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HA) 2.607 0.850 0.850 weight 1.000 ! spec=H2O NOESY, no=111, id=108, vol=4.280000e+07
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   11 and name   HN) 3.994 1.994 1.994 weight 1.000 ! spec=H2O NOESY, no=112, id=109, vol=3.310000e+06
assign (segid "    " and resid   10 and name HD12) (segid "    " and resid   10 and name   HA) 2.568 0.824 0.824 weight 1.000 ! spec=H2O NOESY, no=113, id=110, vol=4.690000e+07
    or (segid "    " and resid   10 and name HD11) (segid "    " and resid   10 and name   HA)
    or (segid "    " and resid   10 and name HD13) (segid "    " and resid   10 and name   HA)
assign (segid "    " and resid   10 and name HD12) (segid "    " and resid   10 and name  HB2) 2.122 0.563 0.563 weight 1.000 ! spec=H2O NOESY, no=114, id=111, vol=1.470000e+08
    or (segid "    " and resid   10 and name HD11) (segid "    " and resid   10 and name  HB2)
    or (segid "    " and resid   10 and name HD13) (segid "    " and resid   10 and name  HB2)
assign (segid "    " and resid   10 and name HD12) (segid "    " and resid   10 and name   HG) 2.891 1.045 1.045 weight 1.000 ! spec=H2O NOESY, no=115, id=112, vol=2.300000e+07
    or (segid "    " and resid   10 and name HD11) (segid "    " and resid   10 and name   HG)
    or (segid "    " and resid   10 and name HD13) (segid "    " and resid   10 and name   HG)
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   12 and name   HN) 2.417 0.730 0.730 weight 1.000 ! spec=H2O NOESY, no=116, id=113, vol=6.740000e+07
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name   HN) 2.466 0.760 0.760 weight 1.000 ! spec=H2O NOESY, no=117, id=114, vol=5.980000e+07
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   12 and name   HN) 3.072 1.179 1.179 weight 1.000 ! spec=H2O NOESY, no=118, id=115, vol=1.600000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name   HN) 3.148 1.239 1.239 weight 1.000 ! spec=H2O NOESY, no=119, id=116, vol=1.380000e+07
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name   HA) 4.074 2.075 2.075 weight 1.000 ! spec=H2O NOESY, no=120, id=117, vol=2.940000e+06
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name HD21) 3.828 1.832 1.832 weight 1.000 ! spec=H2O NOESY, no=121, id=118, vol=4.270000e+06
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   12 and name HD21) 5.369 3.603 3.603 weight 1.000 ! spec=H2O NOESY, no=122, id=119, vol=5.610000e+05
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid    8 and name   HA) 2.803 0.982 0.982 weight 1.000 ! spec=H2O NOESY, no=123, id=120, vol=2.770000e+07
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name   HN) 2.656 0.882 0.882 weight 1.000 ! spec=H2O NOESY, no=124, id=121, vol=3.830000e+07
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name   HA) 41.481 41.481 215.082 weight 1.000 ! spec=H2O NOESY, no=125, id=122, vol=2.638000e+00
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   11 and name HD21) 3.081 1.187 1.187 weight 1.000 ! spec=H2O NOESY, no=126, id=123, vol=1.570000e+07
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   13 and name  HD2) 2.810 0.987 0.987 weight 1.000 ! spec=H2O NOESY, no=127, id=124, vol=2.730000e+07
assign (segid "    " and resid   11 and name  HB1) (segid "    " and resid   13 and name  HD1) 3.270 1.336 1.336 weight 1.000 ! spec=H2O NOESY, no=128, id=125, vol=1.100000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name   HN) 2.489 0.774 0.774 weight 1.000 ! spec=H2O NOESY, no=129, id=126, vol=5.650000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name HD21) 3.919 1.920 1.920 weight 1.000 ! spec=H2O NOESY, no=130, id=127, vol=3.710000e+06
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   14 and name   HN) 3.137 1.230 1.230 weight 1.000 ! spec=H2O NOESY, no=131, id=128, vol=1.410000e+07
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name   HN) 2.394 0.717 3.606 weight 1.000 ! spec=H2O NOESY, no=132, id=129, vol=7.130000e+07
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   12 and name HD21) 2.421 0.732 0.732 weight 1.000 ! spec=H2O NOESY, no=133, id=130, vol=6.680000e+07
assign (segid "    " and resid   12 and name  HB1) (segid "    " and resid   13 and name   HA) 3.701 1.712 1.712 weight 1.000 ! spec=H2O NOESY, no=134, id=131, vol=5.230000e+06
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   14 and name   HN) 2.710 0.918 0.918 weight 1.000 ! spec=H2O NOESY, no=135, id=132, vol=3.390000e+07
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HA) 2.263 0.640 0.640 weight 1.000 ! spec=H2O NOESY, no=136, id=133, vol=1.000000e+08
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name  HD2) 3.280 1.344 1.344 weight 1.000 ! spec=H2O NOESY, no=137, id=134, vol=1.080000e+07
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name  HD1) 2.924 1.069 1.069 weight 1.000 ! spec=H2O NOESY, no=138, id=135, vol=2.150000e+07
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   14 and name   HN) 3.205 1.284 1.284 weight 1.000 ! spec=H2O NOESY, no=139, id=136, vol=1.240000e+07
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   15 and name   HN) 4.051 2.052 2.052 weight 1.000 ! spec=H2O NOESY, no=140, id=137, vol=3.040000e+06
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name   HA) 5.031 3.164 3.164 weight 1.000 ! spec=H2O NOESY, no=141, id=138, vol=8.290000e+05
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   13 and name  HD1) 2.967 1.100 1.100 weight 1.000 ! spec=H2O NOESY, no=142, id=139, vol=1.970000e+07
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   14 and name   HN) 2.867 1.027 1.027 weight 1.000 ! spec=H2O NOESY, no=143, id=140, vol=2.420000e+07
assign (segid "    " and resid   13 and name  HB1) (segid "    " and resid   15 and name   HN) 2.769 0.959 3.231 weight 1.000 ! spec=H2O NOESY, no=144, id=141, vol=2.980000e+07
assign (segid "    " and resid   13 and name  HD2) (segid "    " and resid   12 and name   HN) 3.192 1.274 1.274 weight 1.000 ! spec=H2O NOESY, no=145, id=142, vol=1.270000e+07
assign (segid "    " and resid   13 and name  HD2) (segid "    " and resid   12 and name   HA) 2.352 0.692 0.692 weight 1.000 ! spec=H2O NOESY, no=146, id=143, vol=7.930000e+07
assign (segid "    " and resid   13 and name  HD2) (segid "    " and resid   14 and name   HN) 2.898 1.050 1.050 weight 1.000 ! spec=H2O NOESY, no=147, id=144, vol=2.270000e+07
assign (segid "    " and resid   13 and name  HD1) (segid "    " and resid   12 and name   HN) 2.793 0.975 0.975 weight 1.000 ! spec=H2O NOESY, no=148, id=145, vol=2.830000e+07
assign (segid "    " and resid   13 and name  HD1) (segid "    " and resid   12 and name   HA) 2.631 0.865 0.865 weight 1.000 ! spec=H2O NOESY, no=149, id=146, vol=4.050000e+07
assign (segid "    " and resid   13 and name  HD1) (segid "    " and resid   13 and name   HA) 3.172 1.257 1.257 weight 1.000 ! spec=H2O NOESY, no=150, id=147, vol=1.320000e+07
assign (segid "    " and resid   13 and name  HD1) (segid "    " and resid   13 and name  HD2) 2.670 0.891 0.891 weight 1.000 ! spec=H2O NOESY, no=151, id=148, vol=3.710000e+07
assign (segid "    " and resid   13 and name  HD1) (segid "    " and resid   14 and name   HN) 3.834 1.838 1.838 weight 1.000 ! spec=H2O NOESY, no=152, id=149, vol=4.230000e+06
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid    8 and name   HA) 2.446 0.748 0.748 weight 1.000 ! spec=H2O NOESY, no=153, id=150, vol=6.270000e+07
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   13 and name  HD2) 2.142 0.574 0.574 weight 1.000 ! spec=H2O NOESY, no=154, id=151, vol=1.390000e+08
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   13 and name  HD1) 1.854 0.430 0.430 weight 1.000 ! spec=H2O NOESY, no=155, id=152, vol=3.310000e+08
assign (segid "    " and resid   13 and name  HG2) (segid "    " and resid   14 and name   HN) 2.583 0.834 0.834 weight 1.000 ! spec=H2O NOESY, no=156, id=153, vol=4.530000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name   HN) 2.523 0.796 0.796 weight 1.000 ! spec=H2O NOESY, no=157, id=154, vol=5.210000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   15 and name   HN) 3.227 1.302 1.302 weight 1.000 ! spec=H2O NOESY, no=158, id=155, vol=1.190000e+07
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   15 and name HE21) 4.879 2.976 2.976 weight 1.000 ! spec=H2O NOESY, no=159, id=156, vol=9.960000e+05
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   14 and name   HN) 2.410 0.726 0.726 weight 1.000 ! spec=H2O NOESY, no=160, id=157, vol=6.860000e+07
assign (segid "    " and resid   14 and name  HB1) (segid "    " and resid   15 and name   HN) 3.597 1.618 1.618 weight 1.000 ! spec=H2O NOESY, no=161, id=158, vol=6.200000e+06
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name   HN) 2.731 0.932 0.932 weight 1.000 ! spec=H2O NOESY, no=162, id=159, vol=3.240000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid    9 and name   HA) 2.840 1.008 1.008 weight 1.000 ! spec=H2O NOESY, no=163, id=160, vol=2.560000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name   HN) 2.434 0.740 0.740 weight 1.000 ! spec=H2O NOESY, no=164, id=161, vol=6.470000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name HE21) 4.177 2.181 2.181 weight 1.000 ! spec=H2O NOESY, no=165, id=162, vol=2.530000e+06
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name  HG2) 1.830 0.419 4.170 weight 1.000 ! spec=H2O NOESY, no=166, id=163, vol=3.580000e+08
assign (segid "    " and resid   15 and name HE21) (segid "    " and resid   15 and name   HN) 2.950 1.088 1.088 weight 1.000 ! spec=H2O NOESY, no=167, id=164, vol=2.040000e+07
assign (segid "    " and resid   15 and name  HG2) (segid "    " and resid   15 and name   HN) 3.133 1.227 1.227 weight 1.000 ! spec=H2O NOESY, no=168, id=165, vol=1.420000e+07
assign (segid "    " and resid   15 and name  HG2) (segid "    " and resid   15 and name HE21) 5.089 3.237 3.237 weight 1.000 ! spec=H2O NOESY, no=169, id=166, vol=7.740000e+05
assign (segid "    " and resid   15 and name  HG1) (segid "    " and resid   12 and name   HN) 3.223 1.298 1.298 weight 1.000 ! spec=H2O NOESY, no=170, id=167, vol=1.200000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name   HN) 3.020 1.140 1.140 weight 1.000 ! spec=H2O NOESY, no=171, id=168, vol=1.770000e+07
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid    3 and name   HN) 3.359 1.410 1.410 weight 1.000 ! spec=H2O NOESY, no=172, id=169, vol=9.360000e+06
assign (segid "    " and resid   16 and name  HB2) (segid "    " and resid   16 and name   HN) 2.609 0.851 0.851 weight 1.000 ! spec=H2O NOESY, no=173, id=170, vol=4.260000e+07
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid    3 and name   HN) 2.486 0.772 3.514 weight 1.000 ! spec=H2O NOESY, no=174, id=171, vol=5.700000e+07
assign (segid "    " and resid   16 and name  HB1) (segid "    " and resid   16 and name   HN) 2.709 0.917 0.917 weight 1.000 ! spec=H2O NOESY, no=175, id=172, vol=3.400000e+07

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1HT      GLY   1  -8.597  -0.609  -5.051
    2    H2   GLY   1           2HT      GLY   1  -8.074  -0.521  -3.447
    3    H3   GLY   1           3HT      GLY   1  -7.853  -1.946  -4.332
    4    HA2  GLY   1           1HA      GLY   1  -6.324  -0.833  -5.821
    5    HA3  GLY   1           2HA      GLY   1  -6.565   0.658  -4.920
    6    H    CYS   2           H        CYS   2  -5.282   1.054  -3.193
    7    HA   CYS   2           HA       CYS   2  -3.566  -1.176  -2.309
    8    HB2  CYS   2           2HB      CYS   2  -2.915   1.765  -2.508
    9    HB3  CYS   2           1HB      CYS   2  -1.876   0.570  -1.735
   10    H    CYS   3           H        CYS   3  -6.212  -0.019  -1.263
   11    HA   CYS   3           HA       CYS   3  -5.569   1.146   1.257
   12    HB2  CYS   3           2HB      CYS   3  -7.818   1.044  -0.283
   13    HB3  CYS   3           1HB      CYS   3  -8.207  -0.127   0.967
   14    H    SER   4           H        SER   4  -6.159  -2.140   0.125
   15    HA   SER   4           HA       SER   4  -6.226  -3.155   2.838
   16    HB2  SER   4           2HB      SER   4  -7.616  -4.198   1.049
   17    HB3  SER   4           1HB      SER   4  -6.139  -4.716   0.243
   18    HG   SER   4           HG       SER   4  -6.049  -5.471   2.812
   19    H    ASN   5           H        ASN   5  -4.352  -4.812   0.358
   20    HA   ASN   5           HA       ASN   5  -1.862  -3.751   1.174
   21    HB2  ASN   5           2HB      ASN   5  -1.927  -5.013   3.141
   22    HB3  ASN   5           1HB      ASN   5  -2.652  -6.405   2.337
   23   HD21  ASN   5          2HD2      ASN   5   1.392  -5.801   2.174
   24   HD22  ASN   5          1HD2      ASN   5   0.319  -4.538   2.660
   25    HA   PRO   6           HA       PRO   6  -0.652  -5.840  -2.519
   26    HB2  PRO   6           2HB      PRO   6  -0.470  -3.686  -4.142
   27    HB3  PRO   6           1HB      PRO   6  -1.975  -4.586  -3.960
   28    HG2  PRO   6           2HG      PRO   6  -1.309  -1.904  -3.030
   29    HG3  PRO   6           1HG      PRO   6  -2.890  -2.686  -3.171
   30    HD2  PRO   6           2HD      PRO   6  -1.188  -2.383  -0.812
   31    HD3  PRO   6           1HD      PRO   6  -2.885  -2.888  -0.909
   32    H    ALA   7           H        ALA   7   1.294  -4.170  -3.922
   33    HA   ALA   7           HA       ALA   7   3.400  -4.292  -2.004
   34    HB1  ALA   7           1HB      ALA   7   3.766  -4.821  -4.346
   35    HB2  ALA   7           2HB      ALA   7   4.839  -3.533  -3.800
   36    HB3  ALA   7           3HB      ALA   7   3.427  -3.147  -4.785
   37    H    CYS   8           H        CYS   8   1.162  -1.832  -2.831
   38    HA   CYS   8           HA       CYS   8   2.593   0.522  -2.466
   39    HB2  CYS   8           2HB      CYS   8  -0.239  -0.256  -1.802
   40    HB3  CYS   8           1HB      CYS   8   0.360   1.367  -1.512
   41    H    ILE   9           H        ILE   9   1.145  -1.577   0.019
   42    HA   ILE   9           HA       ILE   9   1.425   0.164   2.195
   43    HB   ILE   9           HB       ILE   9   1.791  -2.774   2.609
   44   HG12  ILE   9          2HG1      ILE   9   0.122  -2.671   0.864
   45   HG13  ILE   9          1HG1      ILE   9  -0.631  -3.112   2.393
   46   HG21  ILE   9          1HG2      ILE   9   0.170  -0.671   4.029
   47   HG22  ILE   9          2HG2      ILE   9   1.731  -1.312   4.541
   48   HG23  ILE   9          3HG2      ILE   9   0.314  -2.361   4.514
   49   HD11  ILE   9          3HD1      ILE   9  -0.681  -0.388   1.124
   50   HD12  ILE   9          1HD1      ILE   9  -1.432  -0.829   2.656
   51   HD13  ILE   9          2HD1      ILE   9  -2.007  -1.552   1.154
   52    H    LEU  10           H        LEU  10   3.660  -2.168   0.820
   53    HA   LEU  10           HA       LEU  10   5.566  -2.336   2.818
   54    HB2  LEU  10           2HB      LEU  10   5.514  -3.728   0.786
   55    HB3  LEU  10           1HB      LEU  10   6.039  -2.353  -0.163
   56    HG   LEU  10           HG       LEU  10   8.172  -2.321   1.084
   57   HD11  LEU  10          1HD1      LEU  10   8.753  -4.235   2.504
   58   HD12  LEU  10          2HD1      LEU  10   7.097  -4.826   2.371
   59   HD13  LEU  10          3HD1      LEU  10   7.424  -3.293   3.176
   60   HD21  LEU  10          3HD2      LEU  10   7.509  -4.999  -0.132
   61   HD22  LEU  10          1HD2      LEU  10   9.121  -4.311   0.066
   62   HD23  LEU  10          2HD2      LEU  10   7.965  -3.552  -1.029
   63    H    ASN  11           H        ASN  11   5.280   0.102   0.268
   64    HA   ASN  11           HA       ASN  11   7.519   1.595   1.428
   65    HB2  ASN  11           2HB      ASN  11   5.870   2.025  -1.075
   66    HB3  ASN  11           1HB      ASN  11   7.126   3.135  -0.530
   67   HD21  ASN  11          2HD2      ASN  11   8.345   0.567  -3.029
   68   HD22  ASN  11          1HD2      ASN  11   6.905   1.526  -2.971
   69    H    ASN  12           H        ASN  12   4.143   1.469   1.282
   70    HA   ASN  12           HA       ASN  12   2.405   2.698   1.985
   71    HB2  ASN  12           2HB      ASN  12   3.734   2.257   4.137
   72    HB3  ASN  12           1HB      ASN  12   4.218   3.946   4.033
   73   HD21  ASN  12          2HD2      ASN  12   1.043   3.340   6.043
   74   HD22  ASN  12          1HD2      ASN  12   2.509   2.430   5.957
   75    HA   PRO  13           HA       PRO  13   3.579   6.738   0.045
   76    HB2  PRO  13           2HB      PRO  13   2.747   5.855  -2.548
   77    HB3  PRO  13           1HB      PRO  13   4.376   6.294  -2.037
   78    HG2  PRO  13           2HG      PRO  13   3.600   3.734  -2.762
   79    HG3  PRO  13           1HG      PRO  13   4.997   4.118  -1.735
   80    HD2  PRO  13           2HD      PRO  13   2.238   3.265  -0.950
   81    HD3  PRO  13           1HD      PRO  13   3.808   2.749  -0.293
   82    H    ASN  14           H        ASN  14   1.169   4.755  -1.622
   83    HA   ASN  14           HA       ASN  14  -0.864   6.777  -1.259
   84    HB2  ASN  14           2HB      ASN  14  -0.648   5.639  -3.412
   85    HB3  ASN  14           1HB      ASN  14  -0.918   4.084  -2.632
   86   HD21  ASN  14          2HD2      ASN  14  -4.209   4.402  -3.626
   87   HD22  ASN  14          1HD2      ASN  14  -2.691   3.582  -3.810
   88    H    GLN  15           H        GLN  15  -0.848   3.240  -0.713
   89    HA   GLN  15           HA       GLN  15  -1.871   1.925   0.786
   90    HB2  GLN  15           2HB      GLN  15  -0.433   3.690   2.227
   91    HB3  GLN  15           1HB      GLN  15  -2.037   4.029   2.870
   92    HG2  GLN  15           2HG      GLN  15  -0.769   1.301   2.761
   93    HG3  GLN  15           1HG      GLN  15  -0.742   2.361   4.165
   94   HE21  GLN  15          2HE2      GLN  15  -4.118   0.335   3.136
   95   HE22  GLN  15          1HE2      GLN  15  -2.817   0.554   2.005
   96    H    CYS  16           H        CYS  16  -3.508   3.503  -1.007
   97    HA   CYS  16           HA       CYS  16  -5.855   2.273  -0.357
   98    HB2  CYS  16           2HB      CYS  16  -5.892   4.089   1.464
   99    HB3  CYS  16           1HB      CYS  16  -6.280   5.210   0.162
  Start of MODEL    2
    1    H1   GLY   1           1HT      GLY   1  -6.155   1.405  -7.081
    2    H2   GLY   1           2HT      GLY   1  -4.585   0.817  -6.875
    3    H3   GLY   1           3HT      GLY   1  -5.216   1.942  -5.784
    4    HA2  GLY   1           1HA      GLY   1  -6.839   0.364  -5.005
    5    HA3  GLY   1           2HA      GLY   1  -6.260  -0.804  -6.182
    6    H    CYS   2           H        CYS   2  -5.144   1.183  -3.451
    7    HA   CYS   2           HA       CYS   2  -3.417  -1.069  -2.677
    8    HB2  CYS   2           2HB      CYS   2  -2.730   1.866  -2.690
    9    HB3  CYS   2           1HB      CYS   2  -1.801   0.665  -1.798
   10    H    CYS   3           H        CYS   3  -6.097  -0.286  -1.808
   11    HA   CYS   3           HA       CYS   3  -5.650   0.614   0.933
   12    HB2  CYS   3           2HB      CYS   3  -8.262  -0.051  -0.436
   13    HB3  CYS   3           1HB      CYS   3  -8.057   0.808   1.085
   14    H    SER   4           H        SER   4  -6.076  -2.266  -0.866
   15    HA   SER   4           HA       SER   4  -6.811  -3.756   1.559
   16    HB2  SER   4           2HB      SER   4  -7.091  -4.592  -1.336
   17    HB3  SER   4           1HB      SER   4  -7.649  -5.503   0.068
   18    HG   SER   4           HG       SER   4  -9.257  -4.111   0.369
   19    H    ASN   5           H        ASN   5  -4.104  -2.860   0.717
   20    HA   ASN   5           HA       ASN   5  -1.973  -3.593   0.827
   21    HB2  ASN   5           2HB      ASN   5  -2.517  -4.705   2.846
   22    HB3  ASN   5           1HB      ASN   5  -3.359  -5.998   1.999
   23   HD21  ASN   5          2HD2      ASN   5   0.683  -6.103   2.460
   24   HD22  ASN   5          1HD2      ASN   5  -0.229  -4.683   2.830
   25    HA   PRO   6           HA       PRO   6  -1.371  -6.106  -2.838
   26    HB2  PRO   6           2HB      PRO   6  -0.503  -4.117  -4.487
   27    HB3  PRO   6           1HB      PRO   6  -2.187  -4.626  -4.378
   28    HG2  PRO   6           2HG      PRO   6  -0.974  -2.140  -3.490
   29    HG3  PRO   6           1HG      PRO   6  -2.685  -2.558  -3.639
   30    HD2  PRO   6           2HD      PRO   6  -0.996  -2.528  -1.256
   31    HD3  PRO   6           1HD      PRO   6  -2.762  -2.656  -1.378
   32    H    ALA   7           H        ALA   7   0.746  -3.364  -3.281
   33    HA   ALA   7           HA       ALA   7   2.819  -4.555  -1.583
   34    HB1  ALA   7           1HB      ALA   7   3.245  -5.316  -3.873
   35    HB2  ALA   7           2HB      ALA   7   4.513  -4.238  -3.293
   36    HB3  ALA   7           3HB      ALA   7   3.291  -3.639  -4.416
   37    H    CYS   8           H        CYS   8   1.056  -1.907  -2.567
   38    HA   CYS   8           HA       CYS   8   2.746   0.261  -2.350
   39    HB2  CYS   8           2HB      CYS   8  -0.142  -0.171  -1.751
   40    HB3  CYS   8           1HB      CYS   8   0.604   1.359  -1.317
   41    H    ILE   9           H        ILE   9   1.251  -1.631   0.191
   42    HA   ILE   9           HA       ILE   9   1.554   0.155   2.320
   43    HB   ILE   9           HB       ILE   9   1.830  -2.770   2.836
   44   HG12  ILE   9          2HG1      ILE   9   0.256  -2.725   0.997
   45   HG13  ILE   9          1HG1      ILE   9  -0.603  -3.074   2.495
   46   HG21  ILE   9          1HG2      ILE   9   0.265  -2.259   4.646
   47   HG22  ILE   9          2HG2      ILE   9   0.159  -0.592   4.080
   48   HG23  ILE   9          3HG2      ILE   9   1.687  -1.217   4.702
   49   HD11  ILE   9          3HD1      ILE   9  -1.370  -0.761   2.595
   50   HD12  ILE   9          1HD1      ILE   9  -1.858  -1.542   1.090
   51   HD13  ILE   9          2HD1      ILE   9  -0.506  -0.410   1.098
   52    H    LEU  10           H        LEU  10   3.778  -2.068   0.844
   53    HA   LEU  10           HA       LEU  10   5.782  -2.152   2.791
   54    HB2  LEU  10           2HB      LEU  10   5.648  -3.559   0.740
   55    HB3  LEU  10           1HB      LEU  10   6.132  -2.174  -0.212
   56    HG   LEU  10           HG       LEU  10   7.898  -3.229   1.984
   57   HD11  LEU  10          1HD1      LEU  10   7.384  -5.116   0.540
   58   HD12  LEU  10          2HD1      LEU  10   9.048  -4.583   0.307
   59   HD13  LEU  10          3HD1      LEU  10   7.813  -4.160  -0.879
   60   HD21  LEU  10          3HD2      LEU  10   9.670  -2.254   0.605
   61   HD22  LEU  10          1HD2      LEU  10   8.466  -1.045   1.054
   62   HD23  LEU  10          2HD2      LEU  10   8.465  -1.729  -0.571
   63    H    ASN  11           H        ASN  11   5.194   0.228   0.220
   64    HA   ASN  11           HA       ASN  11   7.513   1.775   1.142
   65    HB2  ASN  11           2HB      ASN  11   5.813   2.095  -1.339
   66    HB3  ASN  11           1HB      ASN  11   7.211   3.084  -0.938
   67   HD21  ASN  11          2HD2      ASN  11   7.653  -0.610  -2.531
   68   HD22  ASN  11          1HD2      ASN  11   6.106   0.011  -2.069
   69    H    ASN  12           H        ASN  12   4.156   1.679   1.268
   70    HA   ASN  12           HA       ASN  12   2.536   2.933   2.189
   71    HB2  ASN  12           2HB      ASN  12   4.826   4.383   3.530
   72    HB3  ASN  12           1HB      ASN  12   3.134   4.497   3.997
   73   HD21  ASN  12          2HD2      ASN  12   3.081   1.469   5.738
   74   HD22  ASN  12          1HD2      ASN  12   2.154   2.748   5.033
   75    HA   PRO  13           HA       PRO  13   3.153   6.710  -0.501
   76    HB2  PRO  13           2HB      PRO  13   2.265   5.565  -2.926
   77    HB3  PRO  13           1HB      PRO  13   3.907   6.070  -2.535
   78    HG2  PRO  13           2HG      PRO  13   3.036   3.436  -2.963
   79    HG3  PRO  13           1HG      PRO  13   4.587   3.932  -2.265
   80    HD2  PRO  13           2HD      PRO  13   2.116   2.981  -0.908
   81    HD3  PRO  13           1HD      PRO  13   3.816   2.781  -0.442
   82    H    ASN  14           H        ASN  14   0.793   4.189  -1.362
   83    HA   ASN  14           HA       ASN  14  -1.366   6.089  -0.741
   84    HB2  ASN  14           2HB      ASN  14  -1.168   5.409  -3.172
   85    HB3  ASN  14           1HB      ASN  14  -1.544   3.766  -2.673
   86   HD21  ASN  14          2HD2      ASN  14  -4.969   4.341  -2.240
   87   HD22  ASN  14          1HD2      ASN  14  -3.630   3.289  -1.937
   88    H    GLN  15           H        GLN  15  -0.728   5.069   1.440
   89    HA   GLN  15           HA       GLN  15  -1.999   2.521   1.872
   90    HB2  GLN  15           2HB      GLN  15   0.183   3.753   3.033
   91    HB3  GLN  15           1HB      GLN  15  -1.079   3.972   4.242
   92    HG2  GLN  15           2HG      GLN  15  -0.171   1.372   3.038
   93    HG3  GLN  15           1HG      GLN  15   0.143   1.946   4.675
   94   HE21  GLN  15          2HE2      GLN  15  -3.516   0.483   3.631
   95   HE22  GLN  15          1HE2      GLN  15  -2.402   1.084   2.441
   96    H    CYS  16           H        CYS  16  -4.150   2.785   1.705
   97    HA   CYS  16           HA       CYS  16  -5.587   5.033   2.669
   98    HB2  CYS  16           2HB      CYS  16  -6.772   2.310   2.168
   99    HB3  CYS  16           1HB      CYS  16  -7.523   3.887   1.945
  Start of MODEL    3
    1    H1   GLY   1           1HT      GLY   1  -6.631   1.046  -7.062
    2    H2   GLY   1           2HT      GLY   1  -4.989   1.356  -6.800
    3    H3   GLY   1           3HT      GLY   1  -6.158   2.239  -5.958
    4    HA2  GLY   1           1HA      GLY   1  -6.890   0.215  -4.836
    5    HA3  GLY   1           2HA      GLY   1  -5.619  -0.666  -5.679
    6    H    CYS   2           H        CYS   2  -4.396  -1.258  -3.996
    7    HA   CYS   2           HA       CYS   2  -2.782  -1.132  -2.425
    8    HB2  CYS   2           2HB      CYS   2  -2.577   1.695  -3.434
    9    HB3  CYS   2           1HB      CYS   2  -1.408   0.939  -2.357
   10    H    CYS   3           H        CYS   3  -5.563  -0.531  -1.759
   11    HA   CYS   3           HA       CYS   3  -5.301   1.328   0.468
   12    HB2  CYS   3           2HB      CYS   3  -7.702  -0.168  -0.605
   13    HB3  CYS   3           1HB      CYS   3  -7.744   0.972   0.734
   14    H    SER   4           H        SER   4  -5.817  -2.114  -0.154
   15    HA   SER   4           HA       SER   4  -5.868  -2.614   2.718
   16    HB2  SER   4           2HB      SER   4  -7.533  -3.764   1.272
   17    HB3  SER   4           1HB      SER   4  -6.212  -4.590   0.450
   18    HG   SER   4           HG       SER   4  -7.040  -4.839   3.147
   19    H    ASN   5           H        ASN   5  -4.338  -4.604   0.179
   20    HA   ASN   5           HA       ASN   5  -1.689  -3.937   0.898
   21    HB2  ASN   5           2HB      ASN   5  -2.115  -5.106   2.962
   22    HB3  ASN   5           1HB      ASN   5  -2.769  -6.493   2.097
   23   HD21  ASN   5          2HD2      ASN   5   1.254  -5.964   2.445
   24   HD22  ASN   5          1HD2      ASN   5   0.143  -4.696   2.836
   25    HA   PRO   6           HA       PRO   6  -1.483  -6.379  -2.892
   26    HB2  PRO   6           2HB      PRO   6  -0.814  -4.253  -4.524
   27    HB3  PRO   6           1HB      PRO   6  -2.449  -4.862  -4.292
   28    HG2  PRO   6           2HG      PRO   6  -1.350  -2.346  -3.456
   29    HG3  PRO   6           1HG      PRO   6  -3.008  -2.934  -3.280
   30    HD2  PRO   6           2HD      PRO   6  -0.816  -2.884  -1.305
   31    HD3  PRO   6           1HD      PRO   6  -2.570  -2.982  -1.041
   32    H    ALA   7           H        ALA   7   0.581  -3.544  -3.270
   33    HA   ALA   7           HA       ALA   7   2.817  -4.850  -1.932
   34    HB1  ALA   7           1HB      ALA   7   2.972  -5.599  -4.264
   35    HB2  ALA   7           2HB      ALA   7   4.332  -4.578  -3.800
   36    HB3  ALA   7           3HB      ALA   7   3.031  -3.917  -4.790
   37    H    CYS   8           H        CYS   8   1.106  -2.087  -2.882
   38    HA   CYS   8           HA       CYS   8   2.998  -0.062  -2.755
   39    HB2  CYS   8           2HB      CYS   8   0.071  -0.167  -2.136
   40    HB3  CYS   8           1HB      CYS   8   0.979   1.325  -1.970
   41    H    ILE   9           H        ILE   9   1.166  -1.581  -0.153
   42    HA   ILE   9           HA       ILE   9   1.557   0.255   1.893
   43    HB   ILE   9           HB       ILE   9   1.654  -2.674   2.516
   44   HG12  ILE   9          2HG1      ILE   9   0.042  -2.484   0.707
   45   HG13  ILE   9          1HG1      ILE   9  -0.779  -2.819   2.230
   46   HG21  ILE   9          1HG2      ILE   9   1.701  -1.079   4.354
   47   HG22  ILE   9          2HG2      ILE   9   0.203  -2.011   4.368
   48   HG23  ILE   9          3HG2      ILE   9   0.203  -0.350   3.773
   49   HD11  ILE   9          3HD1      ILE   9  -0.576  -0.130   0.892
   50   HD12  ILE   9          1HD1      ILE   9  -1.409  -0.470   2.410
   51   HD13  ILE   9          2HD1      ILE   9  -1.994  -1.181   0.906
   52    H    LEU  10           H        LEU  10   3.671  -2.223   0.669
   53    HA   LEU  10           HA       LEU  10   5.604  -2.341   2.660
   54    HB2  LEU  10           2HB      LEU  10   5.562  -3.818   0.715
   55    HB3  LEU  10           1HB      LEU  10   5.982  -2.477  -0.331
   56    HG   LEU  10           HG       LEU  10   8.170  -2.294   0.790
   57   HD11  LEU  10          1HD1      LEU  10   7.570  -3.155   2.979
   58   HD12  LEU  10          2HD1      LEU  10   8.904  -4.085   2.296
   59   HD13  LEU  10          3HD1      LEU  10   7.271  -4.751   2.289
   60   HD21  LEU  10          3HD2      LEU  10   9.128  -4.359  -0.122
   61   HD22  LEU  10          1HD2      LEU  10   7.963  -3.632  -1.226
   62   HD23  LEU  10          2HD2      LEU  10   7.509  -5.040  -0.266
   63    H    ASN  11           H        ASN  11   5.093   0.127   0.208
   64    HA   ASN  11           HA       ASN  11   7.481   1.556   1.177
   65    HB2  ASN  11           2HB      ASN  11   5.943   1.953  -1.401
   66    HB3  ASN  11           1HB      ASN  11   7.377   2.851  -0.917
   67   HD21  ASN  11          2HD2      ASN  11   7.669  -0.840  -2.540
   68   HD22  ASN  11          1HD2      ASN  11   6.144  -0.125  -2.157
   69    H    ASN  12           H        ASN  12   4.122   1.536   1.192
   70    HA   ASN  12           HA       ASN  12   2.492   2.885   1.984
   71    HB2  ASN  12           2HB      ASN  12   4.801   4.157   3.464
   72    HB3  ASN  12           1HB      ASN  12   3.105   4.491   3.789
   73   HD21  ASN  12          2HD2      ASN  12   2.528   1.530   5.559
   74   HD22  ASN  12          1HD2      ASN  12   1.819   2.871   4.728
   75    HA   PRO  13           HA       PRO  13   3.521   6.405  -0.906
   76    HB2  PRO  13           2HB      PRO  13   1.700   5.287  -2.848
   77    HB3  PRO  13           1HB      PRO  13   3.434   5.564  -3.010
   78    HG2  PRO  13           2HG      PRO  13   2.293   3.080  -2.918
   79    HG3  PRO  13           1HG      PRO  13   3.959   3.424  -2.418
   80    HD2  PRO  13           2HD      PRO  13   1.505   3.093  -0.731
   81    HD3  PRO  13           1HD      PRO  13   3.152   2.486  -0.454
   82    H    ASN  14           H        ASN  14   0.365   4.829  -1.321
   83    HA   ASN  14           HA       ASN  14  -0.933   7.288  -0.430
   84    HB2  ASN  14           2HB      ASN  14  -3.011   6.305  -1.364
   85    HB3  ASN  14           1HB      ASN  14  -1.737   6.454  -2.563
   86   HD21  ASN  14          2HD2      ASN  14  -3.533   3.109  -2.608
   87   HD22  ASN  14          1HD2      ASN  14  -4.132   4.717  -2.396
   88    H    GLN  15           H        GLN  15  -1.473   3.787  -0.023
   89    HA   GLN  15           HA       GLN  15  -2.388   2.567   1.637
   90    HB2  GLN  15           2HB      GLN  15  -0.165   3.700   2.657
   91    HB3  GLN  15           1HB      GLN  15  -1.362   4.347   3.774
   92    HG2  GLN  15           2HG      GLN  15  -0.712   1.467   3.220
   93    HG3  GLN  15           1HG      GLN  15  -0.508   2.357   4.727
   94   HE21  GLN  15          2HE2      GLN  15  -4.091   0.739   3.700
   95   HE22  GLN  15          1HE2      GLN  15  -2.780   0.837   2.577
   96    H    CYS  16           H        CYS  16  -4.505   3.071   1.145
   97    HA   CYS  16           HA       CYS  16  -5.910   5.349   1.957
   98    HB2  CYS  16           2HB      CYS  16  -7.085   2.605   1.517
   99    HB3  CYS  16           1HB      CYS  16  -7.878   4.156   1.286
  Start of MODEL    4
    1    H1   GLY   1           1HT      GLY   1  -5.029   0.684  -6.488
    2    H2   GLY   1           2HT      GLY   1  -6.063   1.474  -5.408
    3    H3   GLY   1           3HT      GLY   1  -6.684   0.783  -6.818
    4    HA2  GLY   1           1HA      GLY   1  -7.196  -0.609  -4.926
    5    HA3  GLY   1           2HA      GLY   1  -6.112  -1.424  -6.043
    6    H    CYS   2           H        CYS   2  -4.533   1.045  -4.367
    7    HA   CYS   2           HA       CYS   2  -3.017  -0.958  -2.924
    8    HB2  CYS   2           2HB      CYS   2  -2.591   1.993  -3.387
    9    HB3  CYS   2           1HB      CYS   2  -1.518   1.002  -2.406
   10    H    CYS   3           H        CYS   3  -5.362  -1.022  -1.782
   11    HA   CYS   3           HA       CYS   3  -5.094   0.557   0.682
   12    HB2  CYS   3           2HB      CYS   3  -7.502  -1.048  -0.187
   13    HB3  CYS   3           1HB      CYS   3  -7.419   0.142   1.103
   14    H    SER   4           H        SER   4  -6.266  -2.686  -0.244
   15    HA   SER   4           HA       SER   4  -5.645  -3.684   2.392
   16    HB2  SER   4           2HB      SER   4  -6.811  -5.129   0.004
   17    HB3  SER   4           1HB      SER   4  -6.801  -5.702   1.673
   18    HG   SER   4           HG       SER   4  -7.856  -3.335   1.801
   19    H    ASN   5           H        ASN   5  -3.328  -2.994   1.389
   20    HA   ASN   5           HA       ASN   5  -1.201  -3.656   1.008
   21    HB2  ASN   5           2HB      ASN   5  -1.784  -4.787   3.166
   22    HB3  ASN   5           1HB      ASN   5  -2.089  -6.258   2.244
   23   HD21  ASN   5          2HD2      ASN   5   1.269  -7.094   1.880
   24   HD22  ASN   5          1HD2      ASN   5  -0.376  -7.435   1.466
   25    HA   PRO   6           HA       PRO   6  -1.483  -6.299  -2.686
   26    HB2  PRO   6           2HB      PRO   6  -0.958  -4.176  -4.451
   27    HB3  PRO   6           1HB      PRO   6  -2.499  -4.993  -4.229
   28    HG2  PRO   6           2HG      PRO   6  -1.857  -2.325  -3.550
   29    HG3  PRO   6           1HG      PRO   6  -3.359  -3.191  -3.196
   30    HD2  PRO   6           2HD      PRO   6  -1.069  -2.592  -1.435
   31    HD3  PRO   6           1HD      PRO   6  -2.756  -2.941  -1.015
   32    H    ALA   7           H        ALA   7   0.442  -3.331  -3.037
   33    HA   ALA   7           HA       ALA   7   2.821  -4.655  -2.045
   34    HB1  ALA   7           1HB      ALA   7   4.163  -4.222  -4.007
   35    HB2  ALA   7           2HB      ALA   7   2.779  -3.508  -4.830
   36    HB3  ALA   7           3HB      ALA   7   2.782  -5.228  -4.442
   37    H    CYS   8           H        CYS   8   1.115  -1.829  -3.093
   38    HA   CYS   8           HA       CYS   8   2.927   0.207  -2.828
   39    HB2  CYS   8           2HB      CYS   8  -0.003   0.032  -2.253
   40    HB3  CYS   8           1HB      CYS   8   0.869   1.539  -2.037
   41    H    ILE   9           H        ILE   9   1.094  -1.331  -0.208
   42    HA   ILE   9           HA       ILE   9   1.487   0.602   1.767
   43    HB   ILE   9           HB       ILE   9   1.429  -2.325   2.431
   44   HG12  ILE   9          2HG1      ILE   9  -0.198  -2.016   0.681
   45   HG13  ILE   9          1HG1      ILE   9  -1.028  -2.236   2.222
   46   HG21  ILE   9          1HG2      ILE   9   1.649  -0.751   4.280
   47   HG22  ILE   9          2HG2      ILE   9   0.086  -1.568   4.328
   48   HG23  ILE   9          3HG2      ILE   9   0.196   0.092   3.745
   49   HD11  ILE   9          3HD1      ILE   9  -0.596   0.366   0.777
   50   HD12  ILE   9          1HD1      ILE   9  -1.365   0.191   2.352
   51   HD13  ILE   9          2HD1      ILE   9  -2.114  -0.521   0.923
   52    H    LEU  10           H        LEU  10   3.490  -2.067   0.754
   53    HA   LEU  10           HA       LEU  10   5.359  -2.046   2.835
   54    HB2  LEU  10           2HB      LEU  10   5.158  -3.758   1.023
   55    HB3  LEU  10           1HB      LEU  10   5.947  -2.631  -0.063
   56    HG   LEU  10           HG       LEU  10   7.966  -2.686   1.337
   57   HD11  LEU  10          1HD1      LEU  10   8.147  -4.377   3.120
   58   HD12  LEU  10          2HD1      LEU  10   6.421  -4.700   2.960
   59   HD13  LEU  10          3HD1      LEU  10   6.977  -3.115   3.495
   60   HD21  LEU  10          3HD2      LEU  10   8.655  -4.965   0.808
   61   HD22  LEU  10          1HD2      LEU  10   7.745  -4.251  -0.522
   62   HD23  LEU  10          2HD2      LEU  10   6.972  -5.421   0.547
   63    H    ASN  11           H        ASN  11   4.962   0.158   0.176
   64    HA   ASN  11           HA       ASN  11   7.516   1.471   0.790
   65    HB2  ASN  11           2HB      ASN  11   5.560   1.894  -1.479
   66    HB3  ASN  11           1HB      ASN  11   7.026   2.838  -1.247
   67   HD21  ASN  11          2HD2      ASN  11   7.444  -0.068  -3.635
   68   HD22  ASN  11          1HD2      ASN  11   6.169   1.084  -3.442
   69    H    ASN  12           H        ASN  12   4.207   1.678   1.395
   70    HA   ASN  12           HA       ASN  12   2.805   3.161   2.374
   71    HB2  ASN  12           2HB      ASN  12   5.390   3.546   3.650
   72    HB3  ASN  12           1HB      ASN  12   4.396   4.993   3.726
   73   HD21  ASN  12          2HD2      ASN  12   2.540   1.731   5.310
   74   HD22  ASN  12          1HD2      ASN  12   3.159   1.704   3.695
   75    HA   PRO  13           HA       PRO  13   3.706   6.773  -0.457
   76    HB2  PRO  13           2HB      PRO  13   2.324   5.634  -2.695
   77    HB3  PRO  13           1HB      PRO  13   4.031   6.037  -2.574
   78    HG2  PRO  13           2HG      PRO  13   3.071   3.468  -2.789
   79    HG3  PRO  13           1HG      PRO  13   4.634   3.894  -2.070
   80    HD2  PRO  13           2HD      PRO  13   2.022   3.318  -0.714
   81    HD3  PRO  13           1HD      PRO  13   3.660   2.780  -0.281
   82    H    ASN  14           H        ASN  14   0.888   4.813  -1.343
   83    HA   ASN  14           HA       ASN  14  -0.894   7.063  -0.929
   84    HB2  ASN  14           2HB      ASN  14  -1.305   5.752  -2.900
   85    HB3  ASN  14           1HB      ASN  14  -1.321   4.258  -1.975
   86   HD21  ASN  14          2HD2      ASN  14  -4.783   4.463  -2.178
   87   HD22  ASN  14          1HD2      ASN  14  -3.333   3.665  -2.682
   88    H    GLN  15           H        GLN  15  -1.185   3.652  -0.036
   89    HA   GLN  15           HA       GLN  15  -2.192   2.600   1.689
   90    HB2  GLN  15           2HB      GLN  15  -0.146   4.008   2.730
   91    HB3  GLN  15           1HB      GLN  15  -1.478   4.708   3.641
   92    HG2  GLN  15           2HG      GLN  15  -0.680   1.816   3.510
   93    HG3  GLN  15           1HG      GLN  15  -0.551   2.897   4.893
   94   HE21  GLN  15          2HE2      GLN  15  -4.059   1.064   3.962
   95   HE22  GLN  15          1HE2      GLN  15  -2.708   1.055   2.881
   96    H    CYS  16           H        CYS  16  -4.336   2.693   1.274
   97    HA   CYS  16           HA       CYS  16  -5.975   4.958   1.509
   98    HB2  CYS  16           2HB      CYS  16  -6.754   2.042   1.715
   99    HB3  CYS  16           1HB      CYS  16  -7.845   3.382   1.369
  Start of MODEL    5
    1    H1   GLY   1           1HT      GLY   1  -7.639  -1.878  -5.902
    2    H2   GLY   1           2HT      GLY   1  -7.354  -2.546  -4.379
    3    H3   GLY   1           3HT      GLY   1  -6.163  -2.635  -5.573
    4    HA2  GLY   1           1HA      GLY   1  -5.895  -0.251  -5.549
    5    HA3  GLY   1           2HA      GLY   1  -7.157  -0.136  -4.332
    6    H    CYS   2           H        CYS   2  -5.006   1.030  -3.515
    7    HA   CYS   2           HA       CYS   2  -3.078  -0.812  -2.401
    8    HB2  CYS   2           2HB      CYS   2  -3.278   2.196  -2.301
    9    HB3  CYS   2           1HB      CYS   2  -1.983   1.267  -1.549
   10    H    CYS   3           H        CYS   3  -5.935  -0.664  -1.386
   11    HA   CYS   3           HA       CYS   3  -5.193  -0.336   1.445
   12    HB2  CYS   3           2HB      CYS   3  -7.077   1.116   0.473
   13    HB3  CYS   3           1HB      CYS   3  -8.020  -0.365   0.399
   14    H    SER   4           H        SER   4  -5.556  -2.582  -0.899
   15    HA   SER   4           HA       SER   4  -6.528  -4.631   0.974
   16    HB2  SER   4           2HB      SER   4  -6.336  -4.783  -2.045
   17    HB3  SER   4           1HB      SER   4  -7.018  -6.014  -0.982
   18    HG   SER   4           HG       SER   4  -8.479  -4.217  -0.282
   19    H    ASN   5           H        ASN   5  -3.843  -3.363   0.639
   20    HA   ASN   5           HA       ASN   5  -1.650  -3.850   0.645
   21    HB2  ASN   5           2HB      ASN   5  -2.185  -5.284   2.493
   22    HB3  ASN   5           1HB      ASN   5  -2.688  -6.580   1.412
   23   HD21  ASN   5          2HD2      ASN   5   1.247  -5.946   2.229
   24   HD22  ASN   5          1HD2      ASN   5   0.032  -4.812   2.700
   25    HA   PRO   6           HA       PRO   6  -0.861  -5.746  -3.349
   26    HB2  PRO   6           2HB      PRO   6  -0.253  -3.428  -4.677
   27    HB3  PRO   6           1HB      PRO   6  -1.847  -4.179  -4.691
   28    HG2  PRO   6           2HG      PRO   6  -1.024  -1.700  -3.441
   29    HG3  PRO   6           1HG      PRO   6  -2.654  -2.355  -3.649
   30    HD2  PRO   6           2HD      PRO   6  -0.934  -2.395  -1.287
   31    HD3  PRO   6           1HD      PRO   6  -2.663  -2.765  -1.425
   32    H    ALA   7           H        ALA   7   0.885  -2.712  -3.320
   33    HA   ALA   7           HA       ALA   7   3.040  -3.834  -1.693
   34    HB1  ALA   7           1HB      ALA   7   4.745  -3.085  -3.274
   35    HB2  ALA   7           2HB      ALA   7   3.484  -2.581  -4.400
   36    HB3  ALA   7           3HB      ALA   7   3.681  -4.288  -4.002
   37    H    CYS   8           H        CYS   8   0.892  -1.451  -2.243
   38    HA   CYS   8           HA       CYS   8   2.354   0.917  -1.836
   39    HB2  CYS   8           2HB      CYS   8  -0.491   0.094  -1.680
   40    HB3  CYS   8           1HB      CYS   8  -0.034   1.616  -0.930
   41    H    ILE   9           H        ILE   9   0.979  -1.417   0.378
   42    HA   ILE   9           HA       ILE   9   1.073   0.207   2.703
   43    HB   ILE   9           HB       ILE   9   1.543  -2.744   2.916
   44   HG12  ILE   9          2HG1      ILE   9  -0.094  -2.578   1.105
   45   HG13  ILE   9          1HG1      ILE   9  -0.836  -3.225   2.562
   46   HG21  ILE   9          1HG2      ILE   9   1.348  -1.426   4.936
   47   HG22  ILE   9          2HG2      ILE   9  -0.028  -2.519   4.789
   48   HG23  ILE   9          3HG2      ILE   9  -0.218  -0.807   4.409
   49   HD11  ILE   9          3HD1      ILE   9  -1.819  -1.045   3.026
   50   HD12  ILE   9          1HD1      ILE   9  -2.304  -1.659   1.446
   51   HD13  ILE   9          2HD1      ILE   9  -1.074  -0.401   1.563
   52    H    LEU  10           H        LEU  10   3.347  -1.915   1.091
   53    HA   LEU  10           HA       LEU  10   5.352  -1.967   3.063
   54    HB2  LEU  10           2HB      LEU  10   5.271  -3.566   1.231
   55    HB3  LEU  10           1HB      LEU  10   5.541  -2.283   0.068
   56    HG   LEU  10           HG       LEU  10   7.790  -1.909   1.070
   57   HD11  LEU  10          1HD1      LEU  10   8.718  -3.645   2.530
   58   HD12  LEU  10          2HD1      LEU  10   7.130  -4.404   2.626
   59   HD13  LEU  10          3HD1      LEU  10   7.378  -2.790   3.291
   60   HD21  LEU  10          3HD2      LEU  10   8.812  -3.898   0.089
   61   HD22  LEU  10          1HD2      LEU  10   7.512  -3.275  -0.927
   62   HD23  LEU  10          2HD2      LEU  10   7.242  -4.701   0.074
   63    H    ASN  11           H        ASN  11   5.298  -0.093   0.017
   64    HA   ASN  11           HA       ASN  11   7.608   1.401   0.854
   65    HB2  ASN  11           2HB      ASN  11   5.835   1.812  -1.562
   66    HB3  ASN  11           1HB      ASN  11   7.406   2.561  -1.299
   67   HD21  ASN  11          2HD2      ASN  11   7.103  -1.199  -2.732
   68   HD22  ASN  11          1HD2      ASN  11   5.717  -0.274  -2.271
   69    H    ASN  12           H        ASN  12   4.285   1.748   1.231
   70    HA   ASN  12           HA       ASN  12   2.889   3.340   2.015
   71    HB2  ASN  12           2HB      ASN  12   5.407   3.780   3.388
   72    HB3  ASN  12           1HB      ASN  12   4.467   5.260   3.257
   73   HD21  ASN  12          2HD2      ASN  12   2.433   2.221   5.066
   74   HD22  ASN  12          1HD2      ASN  12   3.174   1.984   3.523
   75    HA   PRO  13           HA       PRO  13   4.047   6.664  -1.072
   76    HB2  PRO  13           2HB      PRO  13   3.236   5.766  -3.435
   77    HB3  PRO  13           1HB      PRO  13   4.784   5.250  -2.768
   78    HG2  PRO  13           2HG      PRO  13   2.189   3.787  -2.844
   79    HG3  PRO  13           1HG      PRO  13   3.828   3.178  -3.128
   80    HD2  PRO  13           2HD      PRO  13   2.428   2.964  -0.735
   81    HD3  PRO  13           1HD      PRO  13   4.185   2.808  -0.912
   82    H    ASN  14           H        ASN  14   1.326   4.810  -0.272
   83    HA   ASN  14           HA       ASN  14  -0.498   6.980  -0.799
   84    HB2  ASN  14           2HB      ASN  14  -0.493   5.874  -2.968
   85    HB3  ASN  14           1HB      ASN  14  -0.799   4.317  -2.207
   86   HD21  ASN  14          2HD2      ASN  14  -4.129   4.905  -3.076
   87   HD22  ASN  14          1HD2      ASN  14  -2.675   4.046  -3.441
   88    H    GLN  15           H        GLN  15  -0.744   3.448  -0.286
   89    HA   GLN  15           HA       GLN  15  -2.111   2.237   1.102
   90    HB2  GLN  15           2HB      GLN  15  -0.493   3.961   2.664
   91    HB3  GLN  15           1HB      GLN  15  -2.081   3.965   3.414
   92    HG2  GLN  15           2HG      GLN  15  -0.541   1.464   2.766
   93    HG3  GLN  15           1HG      GLN  15  -0.395   2.318   4.295
   94   HE21  GLN  15          2HE2      GLN  15  -4.106   0.744   3.600
   95   HE22  GLN  15          1HE2      GLN  15  -3.316   1.675   2.378
   96    H    CYS  16           H        CYS  16  -3.885   3.263   3.222
   97    HA   CYS  16           HA       CYS  16  -5.668   4.998   1.687
   98    HB2  CYS  16           2HB      CYS  16  -7.587   3.592   2.543
   99    HB3  CYS  16           1HB      CYS  16  -6.605   2.861   1.286
  Start of MODEL    6
    1    H1   GLY   1           1HT      GLY   1  -7.236  -0.803  -7.129
    2    H2   GLY   1           2HT      GLY   1  -5.716  -1.535  -7.049
    3    H3   GLY   1           3HT      GLY   1  -5.863   0.132  -6.816
    4    HA2  GLY   1           1HA      GLY   1  -7.146  -0.247  -4.797
    5    HA3  GLY   1           2HA      GLY   1  -6.954  -1.976  -5.038
    6    H    CYS   2           H        CYS   2  -5.967   0.210  -3.039
    7    HA   CYS   2           HA       CYS   2  -3.371  -1.029  -2.647
    8    HB2  CYS   2           2HB      CYS   2  -3.724   1.899  -3.241
    9    HB3  CYS   2           1HB      CYS   2  -2.374   1.313  -2.275
   10    H    CYS   3           H        CYS   3  -5.790  -1.170  -1.130
   11    HA   CYS   3           HA       CYS   3  -5.046   0.392   1.248
   12    HB2  CYS   3           2HB      CYS   3  -7.343   0.754   0.350
   13    HB3  CYS   3           1HB      CYS   3  -7.702  -0.937   0.692
   14    H    SER   4           H        SER   4  -5.508  -2.827   0.012
   15    HA   SER   4           HA       SER   4  -5.391  -4.084   2.597
   16    HB2  SER   4           2HB      SER   4  -6.599  -5.123   0.696
   17    HB3  SER   4           1HB      SER   4  -5.072  -5.305  -0.159
   18    HG   SER   4           HG       SER   4  -4.831  -6.364   2.288
   19    H    ASN   5           H        ASN   5  -3.254  -5.182   0.007
   20    HA   ASN   5           HA       ASN   5  -1.065  -3.559   0.549
   21    HB2  ASN   5           2HB      ASN   5  -0.913  -4.713   2.718
   22    HB3  ASN   5           1HB      ASN   5  -0.764  -6.258   1.876
   23   HD21  ASN   5          2HD2      ASN   5   2.677  -5.821   2.196
   24   HD22  ASN   5          1HD2      ASN   5   1.266  -6.687   2.691
   25    HA   PRO   6           HA       PRO   6  -0.331  -6.086  -3.201
   26    HB2  PRO   6           2HB      PRO   6  -0.313  -3.962  -4.907
   27    HB3  PRO   6           1HB      PRO   6  -1.757  -4.923  -4.577
   28    HG2  PRO   6           2HG      PRO   6  -0.988  -2.242  -3.538
   29    HG3  PRO   6           1HG      PRO   6  -2.590  -2.874  -3.944
   30    HD2  PRO   6           2HD      PRO   6  -1.594  -2.648  -1.386
   31    HD3  PRO   6           1HD      PRO   6  -2.886  -3.764  -1.870
   32    H    ALA   7           H        ALA   7   0.661  -2.712  -2.759
   33    HA   ALA   7           HA       ALA   7   3.280  -3.370  -1.859
   34    HB1  ALA   7           1HB      ALA   7   4.549  -2.373  -3.687
   35    HB2  ALA   7           2HB      ALA   7   3.061  -2.106  -4.595
   36    HB3  ALA   7           3HB      ALA   7   3.610  -3.750  -4.266
   37    H    CYS   8           H        CYS   8   0.821  -1.159  -2.840
   38    HA   CYS   8           HA       CYS   8   1.920   1.309  -2.262
   39    HB2  CYS   8           2HB      CYS   8  -0.845   0.190  -2.110
   40    HB3  CYS   8           1HB      CYS   8  -0.513   1.863  -1.717
   41    H    ILE   9           H        ILE   9   0.753  -1.117  -0.085
   42    HA   ILE   9           HA       ILE   9   0.760   0.634   2.226
   43    HB   ILE   9           HB       ILE   9   0.788  -2.373   2.359
   44   HG12  ILE   9          2HG1      ILE   9  -0.852  -1.714   0.650
   45   HG13  ILE   9          1HG1      ILE   9  -1.628  -2.395   2.078
   46   HG21  ILE   9          1HG2      ILE   9  -0.525  -0.255   4.056
   47   HG22  ILE   9          2HG2      ILE   9   0.943  -1.143   4.455
   48   HG23  ILE   9          3HG2      ILE   9  -0.596  -1.994   4.341
   49   HD11  ILE   9          3HD1      ILE   9  -2.824  -0.469   1.204
   50   HD12  ILE   9          1HD1      ILE   9  -1.389   0.527   1.439
   51   HD13  ILE   9          2HD1      ILE   9  -2.211  -0.178   2.832
   52    H    LEU  10           H        LEU  10   2.603  -2.192   1.155
   53    HA   LEU  10           HA       LEU  10   4.554  -2.333   3.073
   54    HB2  LEU  10           2HB      LEU  10   4.288  -3.983   1.313
   55    HB3  LEU  10           1HB      LEU  10   4.813  -2.824   0.108
   56    HG   LEU  10           HG       LEU  10   7.051  -2.771   1.194
   57   HD11  LEU  10          1HD1      LEU  10   5.940  -5.047   2.829
   58   HD12  LEU  10          2HD1      LEU  10   6.384  -3.452   3.436
   59   HD13  LEU  10          3HD1      LEU  10   7.625  -4.528   2.790
   60   HD21  LEU  10          3HD2      LEU  10   6.091  -5.492   0.320
   61   HD22  LEU  10          1HD2      LEU  10   7.768  -4.946   0.356
   62   HD23  LEU  10          2HD2      LEU  10   6.616  -4.188  -0.745
   63    H    ASN  11           H        ASN  11   4.854  -0.540   0.001
   64    HA   ASN  11           HA       ASN  11   7.269   0.758   0.929
   65    HB2  ASN  11           2HB      ASN  11   5.671   1.330  -1.580
   66    HB3  ASN  11           1HB      ASN  11   7.330   1.815  -1.255
   67   HD21  ASN  11          2HD2      ASN  11   7.071  -1.272  -3.408
   68   HD22  ASN  11          1HD2      ASN  11   6.230   0.238  -3.434
   69    H    ASN  12           H        ASN  12   3.951   1.268   0.944
   70    HA   ASN  12           HA       ASN  12   2.531   2.858   1.636
   71    HB2  ASN  12           2HB      ASN  12   4.132   2.444   3.633
   72    HB3  ASN  12           1HB      ASN  12   4.735   4.058   3.274
   73   HD21  ASN  12          2HD2      ASN  12   1.832   3.948   5.742
   74   HD22  ASN  12          1HD2      ASN  12   3.192   2.897   5.553
   75    HA   PRO  13           HA       PRO  13   4.137   6.489  -0.813
   76    HB2  PRO  13           2HB      PRO  13   3.744   5.863  -3.346
   77    HB3  PRO  13           1HB      PRO  13   5.144   5.222  -2.490
   78    HG2  PRO  13           2HG      PRO  13   2.570   3.871  -3.151
   79    HG3  PRO  13           1HG      PRO  13   4.224   3.241  -3.265
   80    HD2  PRO  13           2HD      PRO  13   2.481   2.808  -1.141
   81    HD3  PRO  13           1HD      PRO  13   4.242   2.610  -1.080
   82    H    ASN  14           H        ASN  14   1.382   4.702  -0.385
   83    HA   ASN  14           HA       ASN  14  -0.355   6.843  -1.337
   84    HB2  ASN  14           2HB      ASN  14  -0.145   5.135  -3.173
   85    HB3  ASN  14           1HB      ASN  14  -0.828   3.944  -2.073
   86   HD21  ASN  14          2HD2      ASN  14  -4.132   4.989  -2.491
   87   HD22  ASN  14          1HD2      ASN  14  -3.022   3.991  -1.621
   88    H    GLN  15           H        GLN  15  -0.554   3.525  -0.047
   89    HA   GLN  15           HA       GLN  15  -1.918   2.590   1.519
   90    HB2  GLN  15           2HB      GLN  15  -0.260   4.481   2.675
   91    HB3  GLN  15           1HB      GLN  15  -1.833   4.841   3.379
   92    HG2  GLN  15           2HG      GLN  15  -0.603   2.099   3.350
   93    HG3  GLN  15           1HG      GLN  15  -0.377   3.250   4.664
   94   HE21  GLN  15          2HE2      GLN  15  -3.907   1.291   4.154
   95   HE22  GLN  15          1HE2      GLN  15  -2.717   1.374   2.895
   96    H    CYS  16           H        CYS  16  -3.832   3.435   3.291
   97    HA   CYS  16           HA       CYS  16  -5.668   5.060   1.700
   98    HB2  CYS  16           2HB      CYS  16  -7.492   3.451   2.365
   99    HB3  CYS  16           1HB      CYS  16  -6.342   2.840   1.190
  Start of MODEL    7
    1    H1   GLY   1           1HT      GLY   1  -7.372  -2.694  -4.224
    2    H2   GLY   1           2HT      GLY   1  -6.184  -3.385  -5.206
    3    H3   GLY   1           3HT      GLY   1  -7.476  -2.548  -5.906
    4    HA2  GLY   1           1HA      GLY   1  -5.487  -1.199  -5.956
    5    HA3  GLY   1           2HA      GLY   1  -6.713  -0.482  -4.922
    6    H    CYS   2           H        CYS   2  -4.650   0.613  -4.134
    7    HA   CYS   2           HA       CYS   2  -2.957  -1.077  -2.486
    8    HB2  CYS   2           2HB      CYS   2  -2.833   1.875  -3.108
    9    HB3  CYS   2           1HB      CYS   2  -1.674   1.024  -2.091
   10    H    CYS   3           H        CYS   3  -5.896  -0.131  -1.898
   11    HA   CYS   3           HA       CYS   3  -5.470   0.877   0.787
   12    HB2  CYS   3           2HB      CYS   3  -7.460   1.609  -0.505
   13    HB3  CYS   3           1HB      CYS   3  -8.035  -0.052  -0.535
   14    H    SER   4           H        SER   4  -6.339  -2.114  -0.852
   15    HA   SER   4           HA       SER   4  -5.912  -3.591   1.649
   16    HB2  SER   4           2HB      SER   4  -7.934  -4.172   0.308
   17    HB3  SER   4           1HB      SER   4  -6.886  -4.603  -1.042
   18    HG   SER   4           HG       SER   4  -6.317  -6.404  -0.056
   19    H    ASN   5           H        ASN   5  -3.956  -4.355   2.012
   20    HA   ASN   5           HA       ASN   5  -1.716  -3.557   0.804
   21    HB2  ASN   5           2HB      ASN   5  -1.685  -4.631   2.957
   22    HB3  ASN   5           1HB      ASN   5  -2.113  -6.180   2.239
   23   HD21  ASN   5          2HD2      ASN   5   1.143  -6.987   1.263
   24   HD22  ASN   5          1HD2      ASN   5  -0.542  -7.360   1.141
   25    HA   PRO   6           HA       PRO   6  -1.064  -6.220  -2.756
   26    HB2  PRO   6           2HB      PRO   6  -0.482  -4.121  -4.460
   27    HB3  PRO   6           1HB      PRO   6  -2.070  -4.870  -4.299
   28    HG2  PRO   6           2HG      PRO   6  -1.307  -2.217  -3.564
   29    HG3  PRO   6           1HG      PRO   6  -2.884  -2.991  -3.351
   30    HD2  PRO   6           2HD      PRO   6  -0.689  -2.611  -1.397
   31    HD3  PRO   6           1HD      PRO   6  -2.433  -2.787  -1.118
   32    H    ALA   7           H        ALA   7   0.719  -3.211  -3.178
   33    HA   ALA   7           HA       ALA   7   3.098  -4.344  -1.905
   34    HB1  ALA   7           1HB      ALA   7   3.140  -3.088  -4.647
   35    HB2  ALA   7           2HB      ALA   7   3.273  -4.814  -4.316
   36    HB3  ALA   7           3HB      ALA   7   4.526  -3.710  -3.754
   37    H    CYS   8           H        CYS   8   1.210  -1.598  -2.912
   38    HA   CYS   8           HA       CYS   8   2.849   0.548  -2.525
   39    HB2  CYS   8           2HB      CYS   8  -0.058   0.145  -1.923
   40    HB3  CYS   8           1HB      CYS   8   0.716   1.703  -1.675
   41    H    ILE   9           H        ILE   9   1.100  -1.206   0.004
   42    HA   ILE   9           HA       ILE   9   1.484   0.539   2.140
   43    HB   ILE   9           HB       ILE   9   1.688  -2.391   2.680
   44   HG12  ILE   9          2HG1      ILE   9   0.141  -2.296   0.791
   45   HG13  ILE   9          1HG1      ILE   9  -0.700  -2.723   2.277
   46   HG21  ILE   9          1HG2      ILE   9   1.535  -0.818   4.524
   47   HG22  ILE   9          2HG2      ILE   9   0.097  -1.838   4.456
   48   HG23  ILE   9          3HG2      ILE   9   0.027  -0.175   3.871
   49   HD11  ILE   9          3HD1      ILE   9  -1.545  -0.461   2.467
   50   HD12  ILE   9          1HD1      ILE   9  -1.990  -1.175   0.917
   51   HD13  ILE   9          2HD1      ILE   9  -0.676   0.001   1.003
   52    H    LEU  10           H        LEU  10   3.661  -1.794   0.715
   53    HA   LEU  10           HA       LEU  10   5.530  -1.942   2.837
   54    HB2  LEU  10           2HB      LEU  10   5.712  -2.556  -0.098
   55    HB3  LEU  10           1HB      LEU  10   7.105  -2.701   0.952
   56    HG   LEU  10           HG       LEU  10   5.814  -4.350   2.330
   57   HD11  LEU  10          1HD1      LEU  10   3.555  -3.703   1.695
   58   HD12  LEU  10          2HD1      LEU  10   3.850  -5.405   1.334
   59   HD13  LEU  10          3HD1      LEU  10   3.866  -4.212   0.035
   60   HD21  LEU  10          3HD2      LEU  10   6.230  -5.015  -0.579
   61   HD22  LEU  10          1HD2      LEU  10   6.082  -6.186   0.731
   62   HD23  LEU  10          2HD2      LEU  10   7.451  -5.075   0.693
   63    H    ASN  11           H        ASN  11   5.022   0.385   0.318
   64    HA   ASN  11           HA       ASN  11   7.590   1.672   0.972
   65    HB2  ASN  11           2HB      ASN  11   5.829   2.062  -1.456
   66    HB3  ASN  11           1HB      ASN  11   7.356   2.883  -1.160
   67   HD21  ASN  11          2HD2      ASN  11   7.657  -0.176  -3.368
   68   HD22  ASN  11          1HD2      ASN  11   6.490   1.100  -3.326
   69    H    ASN  12           H        ASN  12   4.272   1.863   1.298
   70    HA   ASN  12           HA       ASN  12   2.786   3.321   2.156
   71    HB2  ASN  12           2HB      ASN  12   5.263   4.407   3.497
   72    HB3  ASN  12           1HB      ASN  12   3.618   4.849   3.938
   73   HD21  ASN  12          2HD2      ASN  12   2.944   1.883   5.670
   74   HD22  ASN  12          1HD2      ASN  12   2.279   3.284   4.906
   75    HA   PRO  13           HA       PRO  13   3.983   6.942  -0.613
   76    HB2  PRO  13           2HB      PRO  13   2.369   5.913  -2.774
   77    HB3  PRO  13           1HB      PRO  13   4.098   6.262  -2.772
   78    HG2  PRO  13           2HG      PRO  13   3.051   3.738  -2.955
   79    HG3  PRO  13           1HG      PRO  13   4.662   4.100  -2.310
   80    HD2  PRO  13           2HD      PRO  13   2.116   3.534  -0.844
   81    HD3  PRO  13           1HD      PRO  13   3.771   2.997  -0.482
   82    H    ASN  14           H        ASN  14   0.938   5.135  -0.997
   83    HA   ASN  14           HA       ASN  14  -0.502   7.576  -0.238
   84    HB2  ASN  14           2HB      ASN  14  -2.409   6.749  -1.538
   85    HB3  ASN  14           1HB      ASN  14  -0.977   6.907  -2.544
   86   HD21  ASN  14          2HD2      ASN  14  -2.859   3.683  -3.089
   87   HD22  ASN  14          1HD2      ASN  14  -3.390   5.315  -2.903
   88    H    GLN  15           H        GLN  15  -0.753   4.006  -0.072
   89    HA   GLN  15           HA       GLN  15  -1.704   2.611   1.412
   90    HB2  GLN  15           2HB      GLN  15  -0.058   4.235   2.842
   91    HB3  GLN  15           1HB      GLN  15  -1.579   4.495   3.691
   92    HG2  GLN  15           2HG      GLN  15  -0.285   1.826   3.172
   93    HG3  GLN  15           1HG      GLN  15  -0.190   2.726   4.681
   94   HE21  GLN  15          2HE2      GLN  15  -3.532   0.637   3.690
   95   HE22  GLN  15          1HE2      GLN  15  -2.321   1.019   2.506
   96    H    CYS  16           H        CYS  16  -3.388   3.426   3.745
   97    HA   CYS  16           HA       CYS  16  -5.628   4.819   2.677
   98    HB2  CYS  16           2HB      CYS  16  -5.636   2.783   1.259
   99    HB3  CYS  16           1HB      CYS  16  -5.762   1.793   2.706
  Start of MODEL    8
    1    H1   GLY   1           1HT      GLY   1  -5.654   0.121  -6.748
    2    H2   GLY   1           2HT      GLY   1  -6.074   1.306  -5.621
    3    H3   GLY   1           3HT      GLY   1  -7.276   0.539  -6.519
    4    HA2  GLY   1           1HA      GLY   1  -7.263  -0.351  -4.307
    5    HA3  GLY   1           2HA      GLY   1  -6.752  -1.571  -5.463
    6    H    CYS   2           H        CYS   2  -5.530   0.826  -3.153
    7    HA   CYS   2           HA       CYS   2  -3.344  -1.054  -2.587
    8    HB2  CYS   2           2HB      CYS   2  -3.144   1.946  -2.803
    9    HB3  CYS   2           1HB      CYS   2  -1.936   0.957  -1.985
   10    H    CYS   3           H        CYS   3  -6.072  -0.110  -1.392
   11    HA   CYS   3           HA       CYS   3  -5.295   0.882   1.178
   12    HB2  CYS   3           2HB      CYS   3  -7.477   1.422   0.083
   13    HB3  CYS   3           1HB      CYS   3  -7.970  -0.249   0.342
   14    H    SER   4           H        SER   4  -6.009  -2.270  -0.205
   15    HA   SER   4           HA       SER   4  -6.132  -3.538   2.383
   16    HB2  SER   4           2HB      SER   4  -7.456  -4.368   0.430
   17    HB3  SER   4           1HB      SER   4  -5.948  -4.864  -0.331
   18    HG   SER   4           HG       SER   4  -6.456  -6.655   0.700
   19    H    ASN   5           H        ASN   5  -4.144  -4.774  -0.289
   20    HA   ASN   5           HA       ASN   5  -1.687  -3.970   0.819
   21    HB2  ASN   5           2HB      ASN   5  -1.943  -5.522   2.574
   22    HB3  ASN   5           1HB      ASN   5  -2.535  -6.782   1.488
   23   HD21  ASN   5          2HD2      ASN   5   1.471  -6.057   1.842
   24   HD22  ASN   5          1HD2      ASN   5   0.302  -4.934   2.442
   25    HA   PRO   6           HA       PRO   6  -0.202  -5.545  -2.988
   26    HB2  PRO   6           2HB      PRO   6   0.010  -3.216  -4.357
   27    HB3  PRO   6           1HB      PRO   6  -1.443  -4.212  -4.425
   28    HG2  PRO   6           2HG      PRO   6  -1.056  -1.610  -3.177
   29    HG3  PRO   6           1HG      PRO   6  -2.559  -2.469  -3.539
   30    HD2  PRO   6           2HD      PRO   6  -1.086  -2.308  -1.014
   31    HD3  PRO   6           1HD      PRO   6  -2.737  -2.886  -1.314
   32    H    ALA   7           H        ALA   7   1.775  -3.611  -4.005
   33    HA   ALA   7           HA       ALA   7   3.652  -3.723  -1.846
   34    HB1  ALA   7           1HB      ALA   7   5.212  -2.683  -3.395
   35    HB2  ALA   7           2HB      ALA   7   3.892  -2.357  -4.520
   36    HB3  ALA   7           3HB      ALA   7   4.355  -4.021  -4.160
   37    H    CYS   8           H        CYS   8   1.245  -1.519  -2.730
   38    HA   CYS   8           HA       CYS   8   2.353   0.960  -2.166
   39    HB2  CYS   8           2HB      CYS   8  -0.412  -0.159  -1.979
   40    HB3  CYS   8           1HB      CYS   8  -0.075   1.493  -1.503
   41    H    ILE   9           H        ILE   9   1.177  -1.493   0.029
   42    HA   ILE   9           HA       ILE   9   1.103   0.155   2.351
   43    HB   ILE   9           HB       ILE   9   1.749  -2.762   2.557
   44   HG12  ILE   9          2HG1      ILE   9   0.037  -2.646   0.816
   45   HG13  ILE   9          1HG1      ILE   9  -0.613  -3.336   2.298
   46   HG21  ILE   9          1HG2      ILE   9   0.225  -2.609   4.486
   47   HG22  ILE   9          2HG2      ILE   9  -0.026  -0.900   4.130
   48   HG23  ILE   9          3HG2      ILE   9   1.574  -1.479   4.597
   49   HD11  ILE   9          3HD1      ILE   9  -1.011  -0.516   1.343
   50   HD12  ILE   9          1HD1      ILE   9  -1.661  -1.203   2.831
   51   HD13  ILE   9          2HD1      ILE   9  -2.194  -1.823   1.268
   52    H    LEU  10           H        LEU  10   3.497  -2.097   1.060
   53    HA   LEU  10           HA       LEU  10   5.315  -1.947   3.185
   54    HB2  LEU  10           2HB      LEU  10   5.657  -2.728   0.299
   55    HB3  LEU  10           1HB      LEU  10   6.982  -2.787   1.443
   56    HG   LEU  10           HG       LEU  10   5.601  -4.375   2.831
   57   HD11  LEU  10          1HD1      LEU  10   3.400  -3.837   1.941
   58   HD12  LEU  10          2HD1      LEU  10   3.765  -5.548   1.726
   59   HD13  LEU  10          3HD1      LEU  10   3.879  -4.444   0.356
   60   HD21  LEU  10          3HD2      LEU  10   6.063  -6.302   1.390
   61   HD22  LEU  10          1HD2      LEU  10   7.403  -5.156   1.405
   62   HD23  LEU  10          2HD2      LEU  10   6.308  -5.214   0.024
   63    H    ASN  11           H        ASN  11   5.364  -0.255   0.046
   64    HA   ASN  11           HA       ASN  11   7.614   1.368   0.866
   65    HB2  ASN  11           2HB      ASN  11   5.857   1.381  -1.588
   66    HB3  ASN  11           1HB      ASN  11   7.133   2.562  -1.329
   67   HD21  ASN  11          2HD2      ASN  11   8.221  -0.474  -3.316
   68   HD22  ASN  11          1HD2      ASN  11   6.761   0.456  -3.365
   69    H    ASN  12           H        ASN  12   4.249   1.482   0.979
   70    HA   ASN  12           HA       ASN  12   2.697   2.859   1.820
   71    HB2  ASN  12           2HB      ASN  12   4.454   2.650   3.705
   72    HB3  ASN  12           1HB      ASN  12   4.822   4.321   3.332
   73   HD21  ASN  12          2HD2      ASN  12   1.473   3.285   5.308
   74   HD22  ASN  12          1HD2      ASN  12   2.550   2.129   4.599
   75    HA   PRO  13           HA       PRO  13   3.661   6.740  -0.541
   76    HB2  PRO  13           2HB      PRO  13   3.467   6.169  -3.136
   77    HB3  PRO  13           1HB      PRO  13   4.963   5.885  -2.245
   78    HG2  PRO  13           2HG      PRO  13   2.943   3.939  -3.202
   79    HG3  PRO  13           1HG      PRO  13   4.687   3.734  -2.985
   80    HD2  PRO  13           2HD      PRO  13   2.618   2.940  -1.202
   81    HD3  PRO  13           1HD      PRO  13   4.367   2.870  -0.918
   82    H    ASN  14           H        ASN  14   1.265   4.287  -0.763
   83    HA   ASN  14           HA       ASN  14  -0.811   6.273  -1.202
   84    HB2  ASN  14           2HB      ASN  14  -0.047   5.222  -3.450
   85    HB3  ASN  14           1HB      ASN  14  -0.873   3.775  -2.882
   86   HD21  ASN  14          2HD2      ASN  14  -4.111   5.066  -3.331
   87   HD22  ASN  14          1HD2      ASN  14  -3.147   3.879  -2.521
   88    H    GLN  15           H        GLN  15  -0.212   4.968   1.142
   89    HA   GLN  15           HA       GLN  15  -2.111   2.855   1.491
   90    HB2  GLN  15           2HB      GLN  15   0.050   3.884   2.988
   91    HB3  GLN  15           1HB      GLN  15  -1.390   4.105   3.978
   92    HG2  GLN  15           2HG      GLN  15  -0.410   1.533   2.764
   93    HG3  GLN  15           1HG      GLN  15  -0.376   1.982   4.470
   94   HE21  GLN  15          2HE2      GLN  15  -3.820   0.742   2.689
   95   HE22  GLN  15          1HE2      GLN  15  -2.469   1.305   1.754
   96    H    CYS  16           H        CYS  16  -4.064   2.985   2.624
   97    HA   CYS  16           HA       CYS  16  -5.425   5.482   2.126
   98    HB2  CYS  16           2HB      CYS  16  -7.469   4.123   2.739
   99    HB3  CYS  16           1HB      CYS  16  -6.561   3.538   1.355
  Start of MODEL    9
    1    H1   GLY   1           1HT      GLY   1  -7.737   0.363  -3.914
    2    H2   GLY   1           2HT      GLY   1  -7.780   0.953  -5.498
    3    H3   GLY   1           3HT      GLY   1  -6.674   1.588  -4.392
    4    HA2  GLY   1           1HA      GLY   1  -6.689  -1.186  -5.434
    5    HA3  GLY   1           2HA      GLY   1  -5.587   0.086  -5.935
    6    H    CYS   2           H        CYS   2  -4.917   1.238  -3.495
    7    HA   CYS   2           HA       CYS   2  -3.154  -0.874  -2.560
    8    HB2  CYS   2           2HB      CYS   2  -3.062   2.099  -2.078
    9    HB3  CYS   2           1HB      CYS   2  -1.860   0.936  -1.514
   10    H    CYS   3           H        CYS   3  -6.082   0.174  -1.584
   11    HA   CYS   3           HA       CYS   3  -5.530   0.117   1.269
   12    HB2  CYS   3           2HB      CYS   3  -7.252   1.643   0.163
   13    HB3  CYS   3           1HB      CYS   3  -8.238   0.209  -0.073
   14    H    SER   4           H        SER   4  -5.620  -2.149  -1.006
   15    HA   SER   4           HA       SER   4  -6.936  -4.146   0.711
   16    HB2  SER   4           2HB      SER   4  -6.400  -4.344  -2.263
   17    HB3  SER   4           1HB      SER   4  -7.341  -5.467  -1.278
   18    HG   SER   4           HG       SER   4  -8.935  -3.990  -1.080
   19    H    ASN   5           H        ASN   5  -4.277  -3.133   1.014
   20    HA   ASN   5           HA       ASN   5  -2.115  -3.716   1.269
   21    HB2  ASN   5           2HB      ASN   5  -3.029  -5.040   3.002
   22    HB3  ASN   5           1HB      ASN   5  -3.515  -6.307   1.885
   23   HD21  ASN   5          2HD2      ASN   5   0.535  -6.167   2.183
   24   HD22  ASN   5          1HD2      ASN   5  -0.357  -4.831   1.554
   25    HA   PRO   6           HA       PRO   6  -0.627  -5.665  -2.454
   26    HB2  PRO   6           2HB      PRO   6  -0.362  -3.519  -4.073
   27    HB3  PRO   6           1HB      PRO   6  -1.856  -4.447  -3.998
   28    HG2  PRO   6           2HG      PRO   6  -1.313  -1.747  -3.041
   29    HG3  PRO   6           1HG      PRO   6  -2.865  -2.558  -3.306
   30    HD2  PRO   6           2HD      PRO   6  -1.370  -2.208  -0.817
   31    HD3  PRO   6           1HD      PRO   6  -3.044  -2.755  -1.050
   32    H    ALA   7           H        ALA   7   1.370  -3.991  -3.741
   33    HA   ALA   7           HA       ALA   7   3.381  -4.071  -1.741
   34    HB1  ALA   7           1HB      ALA   7   3.830  -4.508  -4.101
   35    HB2  ALA   7           2HB      ALA   7   4.873  -3.245  -3.451
   36    HB3  ALA   7           3HB      ALA   7   3.501  -2.817  -4.471
   37    H    CYS   8           H        CYS   8   1.085  -1.668  -2.489
   38    HA   CYS   8           HA       CYS   8   2.477   0.685  -1.981
   39    HB2  CYS   8           2HB      CYS   8  -0.335  -0.183  -1.829
   40    HB3  CYS   8           1HB      CYS   8   0.084   1.243  -0.891
   41    H    ILE   9           H        ILE   9   1.360  -1.758   0.246
   42    HA   ILE   9           HA       ILE   9   1.566  -0.131   2.593
   43    HB   ILE   9           HB       ILE   9   1.924  -3.088   2.767
   44   HG12  ILE   9          2HG1      ILE   9   0.244  -2.835   1.021
   45   HG13  ILE   9          1HG1      ILE   9  -0.488  -3.449   2.503
   46   HG21  ILE   9          1HG2      ILE   9   0.447  -2.811   4.703
   47   HG22  ILE   9          2HG2      ILE   9   0.284  -1.095   4.327
   48   HG23  ILE   9          3HG2      ILE   9   1.853  -1.751   4.796
   49   HD11  ILE   9          3HD1      ILE   9  -1.346  -1.224   2.999
   50   HD12  ILE   9          1HD1      ILE   9  -1.903  -1.793   1.427
   51   HD13  ILE   9          2HD1      ILE   9  -0.603  -0.607   1.523
   52    H    LEU  10           H        LEU  10   3.730  -1.985   0.673
   53    HA   LEU  10           HA       LEU  10   5.811  -2.344   2.553
   54    HB2  LEU  10           2HB      LEU  10   5.698  -3.646   0.511
   55    HB3  LEU  10           1HB      LEU  10   5.885  -2.198  -0.459
   56    HG   LEU  10           HG       LEU  10   8.165  -1.907   0.501
   57   HD11  LEU  10          1HD1      LEU  10   9.197  -3.818   1.640
   58   HD12  LEU  10          2HD1      LEU  10   7.628  -4.623   1.687
   59   HD13  LEU  10          3HD1      LEU  10   7.875  -3.121   2.577
   60   HD21  LEU  10          3HD2      LEU  10   7.663  -4.542  -0.870
   61   HD22  LEU  10          1HD2      LEU  10   9.195  -3.671  -0.819
   62   HD23  LEU  10          2HD2      LEU  10   7.814  -2.977  -1.667
   63    H    ASN  11           H        ASN  11   5.258   0.184   0.098
   64    HA   ASN  11           HA       ASN  11   7.594   1.620   1.132
   65    HB2  ASN  11           2HB      ASN  11   5.967   2.133  -1.365
   66    HB3  ASN  11           1HB      ASN  11   7.416   3.012  -0.890
   67   HD21  ASN  11          2HD2      ASN  11   7.663  -0.594  -2.700
   68   HD22  ASN  11          1HD2      ASN  11   6.147   0.098  -2.232
   69    H    ASN  12           H        ASN  12   4.246   1.618   1.251
   70    HA   ASN  12           HA       ASN  12   2.634   2.937   2.094
   71    HB2  ASN  12           2HB      ASN  12   4.924   4.072   3.700
   72    HB3  ASN  12           1HB      ASN  12   3.221   4.337   4.047
   73   HD21  ASN  12          2HD2      ASN  12   2.675   1.120   5.382
   74   HD22  ASN  12          1HD2      ASN  12   1.921   2.469   4.603
   75    HA   PRO  13           HA       PRO  13   3.580   6.830  -0.256
   76    HB2  PRO  13           2HB      PRO  13   2.551   5.953  -2.729
   77    HB3  PRO  13           1HB      PRO  13   4.250   6.209  -2.333
   78    HG2  PRO  13           2HG      PRO  13   3.016   3.744  -2.900
   79    HG3  PRO  13           1HG      PRO  13   4.636   3.986  -2.231
   80    HD2  PRO  13           2HD      PRO  13   2.102   3.278  -0.854
   81    HD3  PRO  13           1HD      PRO  13   3.775   2.837  -0.450
   82    H    ASN  14           H        ASN  14   1.002   4.791  -1.582
   83    HA   ASN  14           HA       ASN  14  -0.986   6.830  -0.984
   84    HB2  ASN  14           2HB      ASN  14  -1.127   5.877  -3.189
   85    HB3  ASN  14           1HB      ASN  14  -1.096   4.240  -2.544
   86   HD21  ASN  14          2HD2      ASN  14  -4.543   4.272  -2.993
   87   HD22  ASN  14          1HD2      ASN  14  -3.006   3.653  -3.503
   88    H    GLN  15           H        GLN  15  -0.908   3.286  -0.668
   89    HA   GLN  15           HA       GLN  15  -1.782   1.855   0.798
   90    HB2  GLN  15           2HB      GLN  15  -0.178   3.370   2.266
   91    HB3  GLN  15           1HB      GLN  15  -1.690   3.851   3.018
   92    HG2  GLN  15           2HG      GLN  15  -0.676   1.031   2.765
   93    HG3  GLN  15           1HG      GLN  15  -0.597   2.028   4.214
   94   HE21  GLN  15          2HE2      GLN  15  -4.083   0.272   3.075
   95   HE22  GLN  15          1HE2      GLN  15  -2.759   0.440   1.965
   96    H    CYS  16           H        CYS  16  -3.212   4.324   2.813
   97    HA   CYS  16           HA       CYS  16  -5.706   4.461   1.496
   98    HB2  CYS  16           2HB      CYS  16  -5.568   2.013   2.281
   99    HB3  CYS  16           1HB      CYS  16  -5.735   2.649   3.909
  Start of MODEL   10
    1    H1   GLY   1           1HT      GLY   1  -5.891   2.519  -5.632
    2    H2   GLY   1           2HT      GLY   1  -6.905   3.156  -4.438
    3    H3   GLY   1           3HT      GLY   1  -7.561   2.280  -5.724
    4    HA2  GLY   1           1HA      GLY   1  -7.529   0.924  -3.749
    5    HA3  GLY   1           2HA      GLY   1  -6.443   0.276  -4.972
    6    H    CYS   2           H        CYS   2  -4.920  -0.691  -3.782
    7    HA   CYS   2           HA       CYS   2  -3.126  -0.979  -2.438
    8    HB2  CYS   2           2HB      CYS   2  -3.017   2.004  -2.785
    9    HB3  CYS   2           1HB      CYS   2  -1.824   1.138  -1.822
   10    H    CYS   3           H        CYS   3  -5.767  -0.721  -1.257
   11    HA   CYS   3           HA       CYS   3  -5.242   0.573   1.293
   12    HB2  CYS   3           2HB      CYS   3  -7.442   0.848   0.140
   13    HB3  CYS   3           1HB      CYS   3  -7.743  -0.870   0.402
   14    H    SER   4           H        SER   4  -6.064  -2.694   0.082
   15    HA   SER   4           HA       SER   4  -5.730  -3.838   2.697
   16    HB2  SER   4           2HB      SER   4  -7.315  -4.853   1.153
   17    HB3  SER   4           1HB      SER   4  -6.030  -5.155  -0.011
   18    HG   SER   4           HG       SER   4  -6.662  -6.491   2.340
   19    H    ASN   5           H        ASN   5  -4.119  -5.110  -0.194
   20    HA   ASN   5           HA       ASN   5  -1.551  -4.155   0.416
   21    HB2  ASN   5           2HB      ASN   5  -1.646  -5.693   2.326
   22    HB3  ASN   5           1HB      ASN   5  -1.999  -7.034   1.237
   23   HD21  ASN   5          2HD2      ASN   5   1.429  -7.675   1.336
   24   HD22  ASN   5          1HD2      ASN   5  -0.158  -8.165   1.826
   25    HA   PRO   6           HA       PRO   6  -1.509  -6.069  -3.689
   26    HB2  PRO   6           2HB      PRO   6  -1.153  -3.707  -5.053
   27    HB3  PRO   6           1HB      PRO   6  -2.713  -4.487  -4.813
   28    HG2  PRO   6           2HG      PRO   6  -1.705  -2.032  -3.651
   29    HG3  PRO   6           1HG      PRO   6  -3.344  -2.690  -3.618
   30    HD2  PRO   6           2HD      PRO   6  -1.324  -2.727  -1.542
   31    HD3  PRO   6           1HD      PRO   6  -3.024  -3.217  -1.446
   32    H    ALA   7           H        ALA   7   0.205  -3.173  -2.573
   33    HA   ALA   7           HA       ALA   7   2.655  -4.465  -2.143
   34    HB1  ALA   7           1HB      ALA   7   2.613  -2.759  -4.632
   35    HB2  ALA   7           2HB      ALA   7   2.764  -4.516  -4.597
   36    HB3  ALA   7           3HB      ALA   7   4.030  -3.507  -3.898
   37    H    CYS   8           H        CYS   8   1.004  -1.459  -2.950
   38    HA   CYS   8           HA       CYS   8   2.657   0.539  -2.218
   39    HB2  CYS   8           2HB      CYS   8  -0.279   0.186  -1.712
   40    HB3  CYS   8           1HB      CYS   8   0.544   1.685  -1.333
   41    H    ILE   9           H        ILE   9   0.890  -1.471   0.071
   42    HA   ILE   9           HA       ILE   9   1.096   0.007   2.395
   43    HB   ILE   9           HB       ILE   9   1.599  -2.934   2.571
   44   HG12  ILE   9          2HG1      ILE   9   0.046  -2.743   0.708
   45   HG13  ILE   9          1HG1      ILE   9  -0.760  -3.418   2.121
   46   HG21  ILE   9          1HG2      ILE   9   1.312  -1.661   4.610
   47   HG22  ILE   9          2HG2      ILE   9  -0.049  -2.759   4.386
   48   HG23  ILE   9          3HG2      ILE   9  -0.235  -1.041   4.033
   49   HD11  ILE   9          3HD1      ILE   9  -2.199  -1.842   0.989
   50   HD12  ILE   9          1HD1      ILE   9  -0.975  -0.583   1.136
   51   HD13  ILE   9          2HD1      ILE   9  -1.754  -1.226   2.581
   52    H    LEU  10           H        LEU  10   3.531  -1.877   0.764
   53    HA   LEU  10           HA       LEU  10   5.349  -2.138   2.914
   54    HB2  LEU  10           2HB      LEU  10   5.346  -3.522   0.860
   55    HB3  LEU  10           1HB      LEU  10   5.926  -2.138  -0.045
   56    HG   LEU  10           HG       LEU  10   7.977  -2.127   1.354
   57   HD11  LEU  10          1HD1      LEU  10   8.474  -4.076   2.736
   58   HD12  LEU  10          2HD1      LEU  10   6.858  -4.710   2.435
   59   HD13  LEU  10          3HD1      LEU  10   7.063  -3.210   3.339
   60   HD21  LEU  10          3HD2      LEU  10   7.939  -3.236  -0.821
   61   HD22  LEU  10          1HD2      LEU  10   7.390  -4.727  -0.057
   62   HD23  LEU  10          2HD2      LEU  10   8.991  -4.085   0.311
   63    H    ASN  11           H        ASN  11   5.199   0.233   0.247
   64    HA   ASN  11           HA       ASN  11   7.485   1.641   1.430
   65    HB2  ASN  11           2HB      ASN  11   6.136   1.915  -1.256
   66    HB3  ASN  11           1HB      ASN  11   7.445   2.956  -0.710
   67   HD21  ASN  11          2HD2      ASN  11   8.567  -0.029  -2.760
   68   HD22  ASN  11          1HD2      ASN  11   7.216   1.037  -2.939
   69    H    ASN  12           H        ASN  12   4.138   1.819   1.291
   70    HA   ASN  12           HA       ASN  12   2.570   3.336   1.903
   71    HB2  ASN  12           2HB      ASN  12   4.959   4.218   3.442
   72    HB3  ASN  12           1HB      ASN  12   3.595   5.324   3.364
   73   HD21  ASN  12          2HD2      ASN  12   2.529   1.714   4.892
   74   HD22  ASN  12          1HD2      ASN  12   3.255   1.844   3.331
   75    HA   PRO  13           HA       PRO  13   3.979   6.571  -1.230
   76    HB2  PRO  13           2HB      PRO  13   3.083   5.579  -3.541
   77    HB3  PRO  13           1HB      PRO  13   4.642   5.082  -2.886
   78    HG2  PRO  13           2HG      PRO  13   2.020   3.658  -2.771
   79    HG3  PRO  13           1HG      PRO  13   3.625   3.009  -3.154
   80    HD2  PRO  13           2HD      PRO  13   2.457   2.812  -0.687
   81    HD3  PRO  13           1HD      PRO  13   4.212   2.832  -0.947
   82    H    ASN  14           H        ASN  14   1.210   4.815  -0.393
   83    HA   ASN  14           HA       ASN  14  -0.551   7.044  -0.861
   84    HB2  ASN  14           2HB      ASN  14  -0.652   5.971  -3.041
   85    HB3  ASN  14           1HB      ASN  14  -0.943   4.404  -2.295
   86   HD21  ASN  14          2HD2      ASN  14  -4.300   4.961  -2.967
   87   HD22  ASN  14          1HD2      ASN  14  -2.863   4.066  -3.330
   88    H    GLN  15           H        GLN  15  -0.989   3.527  -0.485
   89    HA   GLN  15           HA       GLN  15  -2.237   2.310   0.977
   90    HB2  GLN  15           2HB      GLN  15  -0.351   3.714   2.418
   91    HB3  GLN  15           1HB      GLN  15  -1.839   4.107   3.271
   92    HG2  GLN  15           2HG      GLN  15  -0.813   1.336   2.696
   93    HG3  GLN  15           1HG      GLN  15  -0.674   2.185   4.233
   94   HE21  GLN  15          2HE2      GLN  15  -4.155   0.433   3.111
   95   HE22  GLN  15          1HE2      GLN  15  -2.861   0.683   1.979
   96    H    CYS  16           H        CYS  16  -3.961   2.891   3.048
   97    HA   CYS  16           HA       CYS  16  -5.704   4.994   1.998
   98    HB2  CYS  16           2HB      CYS  16  -7.636   3.549   2.651
   99    HB3  CYS  16           1HB      CYS  16  -6.683   2.909   1.327
  Start of MODEL   11
    1    H1   GLY   1           1HT      GLY   1  -5.542  -2.477  -6.141
    2    H2   GLY   1           2HT      GLY   1  -7.147  -2.073  -6.487
    3    H3   GLY   1           3HT      GLY   1  -6.776  -2.937  -5.084
    4    HA2  GLY   1           1HA      GLY   1  -5.919  -0.161  -5.653
    5    HA3  GLY   1           2HA      GLY   1  -7.248  -0.611  -4.595
    6    H    CYS   2           H        CYS   2  -5.186   0.921  -3.613
    7    HA   CYS   2           HA       CYS   2  -3.301  -0.907  -2.354
    8    HB2  CYS   2           2HB      CYS   2  -3.375   2.110  -2.250
    9    HB3  CYS   2           1HB      CYS   2  -2.084   1.071  -1.643
   10    H    CYS   3           H        CYS   3  -6.227  -0.571  -1.625
   11    HA   CYS   3           HA       CYS   3  -5.821  -0.043   1.240
   12    HB2  CYS   3           2HB      CYS   3  -7.642   1.183  -0.135
   13    HB3  CYS   3           1HB      CYS   3  -8.498  -0.352  -0.117
   14    H    SER   4           H        SER   4  -5.678  -2.475  -0.871
   15    HA   SER   4           HA       SER   4  -6.793  -4.460   1.000
   16    HB2  SER   4           2HB      SER   4  -6.395  -4.760  -1.987
   17    HB3  SER   4           1HB      SER   4  -7.156  -5.928  -0.908
   18    HG   SER   4           HG       SER   4  -8.933  -4.781  -0.890
   19    H    ASN   5           H        ASN   5  -4.171  -3.163   0.919
   20    HA   ASN   5           HA       ASN   5  -1.970  -3.511   0.986
   21    HB2  ASN   5           2HB      ASN   5  -2.289  -4.871   2.848
   22    HB3  ASN   5           1HB      ASN   5  -2.956  -6.196   1.891
   23   HD21  ASN   5          2HD2      ASN   5   1.104  -5.648   2.102
   24   HD22  ASN   5          1HD2      ASN   5   0.010  -4.373   2.503
   25    HA   PRO   6           HA       PRO   6  -0.380  -5.357  -2.658
   26    HB2  PRO   6           2HB      PRO   6  -0.171  -3.163  -4.215
   27    HB3  PRO   6           1HB      PRO   6  -1.633  -4.147  -4.198
   28    HG2  PRO   6           2HG      PRO   6  -1.203  -1.457  -3.151
   29    HG3  PRO   6           1HG      PRO   6  -2.720  -2.308  -3.478
   30    HD2  PRO   6           2HD      PRO   6  -1.299  -1.986  -0.944
   31    HD3  PRO   6           1HD      PRO   6  -2.945  -2.583  -1.233
   32    H    ALA   7           H        ALA   7   1.590  -3.554  -3.834
   33    HA   ALA   7           HA       ALA   7   3.500  -3.510  -1.717
   34    HB1  ALA   7           1HB      ALA   7   5.040  -2.624  -3.347
   35    HB2  ALA   7           2HB      ALA   7   3.711  -2.284  -4.455
   36    HB3  ALA   7           3HB      ALA   7   4.111  -3.950  -4.041
   37    H    CYS   8           H        CYS   8   1.081  -1.322  -2.602
   38    HA   CYS   8           HA       CYS   8   2.228   1.163  -2.076
   39    HB2  CYS   8           2HB      CYS   8  -0.506   0.009  -1.903
   40    HB3  CYS   8           1HB      CYS   8  -0.216   1.572  -1.163
   41    H    ILE   9           H        ILE   9   1.252  -1.369   0.092
   42    HA   ILE   9           HA       ILE   9   1.326   0.323   2.428
   43    HB   ILE   9           HB       ILE   9   1.601  -2.633   2.683
   44   HG12  ILE   9          2HG1      ILE   9  -0.016  -2.466   0.882
   45   HG13  ILE   9          1HG1      ILE   9  -0.829  -2.932   2.371
   46   HG21  ILE   9          1HG2      ILE   9   0.035  -2.257   4.539
   47   HG22  ILE   9          2HG2      ILE   9  -0.034  -0.548   4.117
   48   HG23  ILE   9          3HG2      ILE   9   1.482  -1.261   4.669
   49   HD11  ILE   9          3HD1      ILE   9  -1.630  -0.665   2.658
   50   HD12  ILE   9          1HD1      ILE   9  -2.127  -1.323   1.100
   51   HD13  ILE   9          2HD1      ILE   9  -0.793  -0.172   1.186
   52    H    LEU  10           H        LEU  10   3.438  -1.905   0.763
   53    HA   LEU  10           HA       LEU  10   5.376  -2.249   2.762
   54    HB2  LEU  10           2HB      LEU  10   5.103  -3.650   0.721
   55    HB3  LEU  10           1HB      LEU  10   5.769  -2.336  -0.228
   56    HG   LEU  10           HG       LEU  10   7.897  -2.535   0.992
   57   HD11  LEU  10          1HD1      LEU  10   8.263  -4.493   2.439
   58   HD12  LEU  10          2HD1      LEU  10   6.542  -4.865   2.344
   59   HD13  LEU  10          3HD1      LEU  10   7.081  -3.371   3.111
   60   HD21  LEU  10          3HD2      LEU  10   6.909  -5.129  -0.189
   61   HD22  LEU  10          1HD2      LEU  10   8.597  -4.664   0.021
   62   HD23  LEU  10          2HD2      LEU  10   7.568  -3.765  -1.092
   63    H    ASN  11           H        ASN  11   5.124   0.120   0.146
   64    HA   ASN  11           HA       ASN  11   7.554   1.437   1.129
   65    HB2  ASN  11           2HB      ASN  11   5.983   1.867  -1.422
   66    HB3  ASN  11           1HB      ASN  11   7.452   2.738  -0.982
   67   HD21  ASN  11          2HD2      ASN  11   7.614  -0.994  -2.516
   68   HD22  ASN  11          1HD2      ASN  11   6.118  -0.217  -2.142
   69    H    ASN  12           H        ASN  12   4.225   1.639   1.209
   70    HA   ASN  12           HA       ASN  12   2.692   3.074   2.007
   71    HB2  ASN  12           2HB      ASN  12   5.075   4.269   3.417
   72    HB3  ASN  12           1HB      ASN  12   3.395   4.619   3.799
   73   HD21  ASN  12          2HD2      ASN  12   2.834   1.609   5.509
   74   HD22  ASN  12          1HD2      ASN  12   2.094   2.934   4.680
   75    HA   PRO  13           HA       PRO  13   3.884   6.739  -0.754
   76    HB2  PRO  13           2HB      PRO  13   2.552   5.455  -3.002
   77    HB3  PRO  13           1HB      PRO  13   4.173   6.135  -2.923
   78    HG2  PRO  13           2HG      PRO  13   3.716   3.482  -3.153
   79    HG3  PRO  13           1HG      PRO  13   5.125   4.140  -2.299
   80    HD2  PRO  13           2HD      PRO  13   2.540   3.111  -1.181
   81    HD3  PRO  13           1HD      PRO  13   4.202   2.826  -0.618
   82    H    ASN  14           H        ASN  14   1.118   4.626  -1.458
   83    HA   ASN  14           HA       ASN  14  -0.690   6.908  -1.145
   84    HB2  ASN  14           2HB      ASN  14  -0.854   5.626  -3.243
   85    HB3  ASN  14           1HB      ASN  14  -1.187   4.162  -2.325
   86   HD21  ASN  14          2HD2      ASN  14  -4.534   4.858  -2.992
   87   HD22  ASN  14          1HD2      ASN  14  -3.158   3.875  -3.350
   88    H    GLN  15           H        GLN  15  -0.849   3.416  -0.409
   89    HA   GLN  15           HA       GLN  15  -1.832   2.245   1.250
   90    HB2  GLN  15           2HB      GLN  15  -0.099   4.026   2.434
   91    HB3  GLN  15           1HB      GLN  15  -1.592   4.306   3.326
   92    HG2  GLN  15           2HG      GLN  15  -0.330   1.602   2.922
   93    HG3  GLN  15           1HG      GLN  15  -0.064   2.618   4.335
   94   HE21  GLN  15          2HE2      GLN  15  -3.545   0.573   3.842
   95   HE22  GLN  15          1HE2      GLN  15  -2.447   0.816   2.525
   96    H    CYS  16           H        CYS  16  -3.391   3.138   3.482
   97    HA   CYS  16           HA       CYS  16  -5.623   4.606   2.456
   98    HB2  CYS  16           2HB      CYS  16  -5.843   2.512   1.186
   99    HB3  CYS  16           1HB      CYS  16  -5.798   1.590   2.681
  Start of MODEL   12
    1    H1   GLY   1           1HT      GLY   1  -6.775   0.566  -7.092
    2    H2   GLY   1           2HT      GLY   1  -5.351  -0.347  -7.065
    3    H3   GLY   1           3HT      GLY   1  -5.341   1.250  -6.517
    4    HA2  GLY   1           1HA      GLY   1  -6.768   0.689  -4.680
    5    HA3  GLY   1           2HA      GLY   1  -6.851  -0.968  -5.261
    6    H    CYS   2           H        CYS   2  -5.476   0.904  -2.998
    7    HA   CYS   2           HA       CYS   2  -3.287  -0.988  -2.603
    8    HB2  CYS   2           2HB      CYS   2  -2.972   2.003  -2.807
    9    HB3  CYS   2           1HB      CYS   2  -1.819   1.002  -1.935
   10    H    CYS   3           H        CYS   3  -5.830  -0.676  -1.322
   11    HA   CYS   3           HA       CYS   3  -5.226   0.626   1.211
   12    HB2  CYS   3           2HB      CYS   3  -7.426   0.988   0.110
   13    HB3  CYS   3           1HB      CYS   3  -7.785  -0.721   0.338
   14    H    SER   4           H        SER   4  -5.919  -2.616  -0.051
   15    HA   SER   4           HA       SER   4  -5.815  -3.771   2.587
   16    HB2  SER   4           2HB      SER   4  -7.285  -4.716   0.833
   17    HB3  SER   4           1HB      SER   4  -5.860  -5.154  -0.107
   18    HG   SER   4           HG       SER   4  -6.504  -6.100   2.496
   19    H    ASN   5           H        ASN   5  -4.012  -5.085  -0.171
   20    HA   ASN   5           HA       ASN   5  -1.479  -4.147   0.587
   21    HB2  ASN   5           2HB      ASN   5  -1.682  -5.566   2.544
   22    HB3  ASN   5           1HB      ASN   5  -2.089  -6.956   1.540
   23   HD21  ASN   5          2HD2      ASN   5   1.768  -5.855   2.129
   24   HD22  ASN   5          1HD2      ASN   5   0.439  -4.921   2.736
   25    HA   PRO   6           HA       PRO   6  -1.041  -6.200  -3.401
   26    HB2  PRO   6           2HB      PRO   6  -0.601  -3.903  -4.840
   27    HB3  PRO   6           1HB      PRO   6  -2.173  -4.682  -4.672
   28    HG2  PRO   6           2HG      PRO   6  -1.268  -2.161  -3.568
   29    HG3  PRO   6           1HG      PRO   6  -2.899  -2.841  -3.598
   30    HD2  PRO   6           2HD      PRO   6  -0.972  -2.781  -1.418
   31    HD3  PRO   6           1HD      PRO   6  -2.690  -3.214  -1.381
   32    H    ALA   7           H        ALA   7   0.679  -3.126  -3.493
   33    HA   ALA   7           HA       ALA   7   3.029  -4.286  -2.211
   34    HB1  ALA   7           1HB      ALA   7   3.311  -4.740  -4.600
   35    HB2  ALA   7           2HB      ALA   7   4.521  -3.613  -3.995
   36    HB3  ALA   7           3HB      ALA   7   3.157  -3.018  -4.941
   37    H    CYS   8           H        CYS   8   0.924  -1.759  -2.668
   38    HA   CYS   8           HA       CYS   8   2.594   0.491  -2.391
   39    HB2  CYS   8           2HB      CYS   8  -0.315  -0.033  -1.922
   40    HB3  CYS   8           1HB      CYS   8   0.391   1.516  -1.492
   41    H    ILE   9           H        ILE   9   0.917  -1.516  -0.005
   42    HA   ILE   9           HA       ILE   9   1.135   0.169   2.200
   43    HB   ILE   9           HB       ILE   9   1.521  -2.778   2.596
   44   HG12  ILE   9          2HG1      ILE   9  -0.136  -2.638   0.797
   45   HG13  ILE   9          1HG1      ILE   9  -0.884  -3.164   2.300
   46   HG21  ILE   9          1HG2      ILE   9  -0.067  -2.342   4.449
   47   HG22  ILE   9          2HG2      ILE   9  -0.086  -0.642   3.985
   48   HG23  ILE   9          3HG2      ILE   9   1.411  -1.387   4.549
   49   HD11  ILE   9          3HD1      ILE   9  -1.746  -0.911   2.654
   50   HD12  ILE   9          1HD1      ILE   9  -2.296  -1.593   1.123
   51   HD13  ILE   9          2HD1      ILE   9  -1.003  -0.393   1.141
   52    H    LEU  10           H        LEU  10   3.339  -2.422   1.149
   53    HA   LEU  10           HA       LEU  10   5.343  -1.662   3.090
   54    HB2  LEU  10           2HB      LEU  10   4.796  -4.008   1.947
   55    HB3  LEU  10           1HB      LEU  10   5.967  -3.438   0.775
   56    HG   LEU  10           HG       LEU  10   6.509  -3.737   3.734
   57   HD11  LEU  10          1HD1      LEU  10   7.835  -5.687   3.090
   58   HD12  LEU  10          2HD1      LEU  10   7.287  -5.505   1.423
   59   HD13  LEU  10          3HD1      LEU  10   6.129  -5.897   2.694
   60   HD21  LEU  10          3HD2      LEU  10   8.381  -3.210   1.429
   61   HD22  LEU  10          1HD2      LEU  10   8.849  -3.456   3.111
   62   HD23  LEU  10          2HD2      LEU  10   7.903  -2.038   2.657
   63    H    ASN  11           H        ASN  11   5.253   0.579   2.263
   64    HA   ASN  11           HA       ASN  11   7.474   1.470   0.944
   65    HB2  ASN  11           2HB      ASN  11   6.570   0.289  -1.076
   66    HB3  ASN  11           1HB      ASN  11   5.152   1.329  -1.006
   67   HD21  ASN  11          2HD2      ASN  11   6.852   3.290  -3.336
   68   HD22  ASN  11          1HD2      ASN  11   5.575   2.157  -3.052
   69    H    ASN  12           H        ASN  12   4.016   1.860   1.332
   70    HA   ASN  12           HA       ASN  12   2.687   3.593   1.947
   71    HB2  ASN  12           2HB      ASN  12   5.264   4.235   3.311
   72    HB3  ASN  12           1HB      ASN  12   3.999   5.454   3.305
   73   HD21  ASN  12          2HD2      ASN  12   2.746   1.982   5.027
   74   HD22  ASN  12          1HD2      ASN  12   3.343   1.996   3.406
   75    HA   PRO  13           HA       PRO  13   3.967   6.643  -1.255
   76    HB2  PRO  13           2HB      PRO  13   3.165   5.553  -3.538
   77    HB3  PRO  13           1HB      PRO  13   4.684   5.048  -2.794
   78    HG2  PRO  13           2HG      PRO  13   2.091   3.624  -2.934
   79    HG3  PRO  13           1HG      PRO  13   3.733   2.967  -2.860
   80    HD2  PRO  13           2HD      PRO  13   1.887   3.316  -0.705
   81    HD3  PRO  13           1HD      PRO  13   3.556   2.722  -0.619
   82    H    ASN  14           H        ASN  14   1.218   5.177  -0.117
   83    HA   ASN  14           HA       ASN  14  -0.609   7.203  -0.880
   84    HB2  ASN  14           2HB      ASN  14  -0.579   6.147  -3.052
   85    HB3  ASN  14           1HB      ASN  14  -0.770   4.553  -2.335
   86   HD21  ASN  14          2HD2      ASN  14  -4.130   4.825  -3.159
   87   HD22  ASN  14          1HD2      ASN  14  -2.608   4.055  -3.447
   88    H    GLN  15           H        GLN  15  -0.968   3.671  -0.494
   89    HA   GLN  15           HA       GLN  15  -2.302   2.436   0.864
   90    HB2  GLN  15           2HB      GLN  15  -0.513   3.840   2.428
   91    HB3  GLN  15           1HB      GLN  15  -2.052   4.190   3.209
   92    HG2  GLN  15           2HG      GLN  15  -1.001   1.436   2.597
   93    HG3  GLN  15           1HG      GLN  15  -0.866   2.247   4.155
   94   HE21  GLN  15          2HE2      GLN  15  -4.374   0.605   2.942
   95   HE22  GLN  15          1HE2      GLN  15  -3.070   0.874   1.827
   96    H    CYS  16           H        CYS  16  -4.067   3.249   3.009
   97    HA   CYS  16           HA       CYS  16  -5.837   5.119   1.613
   98    HB2  CYS  16           2HB      CYS  16  -7.753   3.680   2.380
   99    HB3  CYS  16           1HB      CYS  16  -6.753   2.983   1.119
  Start of MODEL   13
    1    H1   GLY   1           1HT      GLY   1  -6.600   2.665  -5.232
    2    H2   GLY   1           2HT      GLY   1  -6.982   1.739  -6.595
    3    H3   GLY   1           3HT      GLY   1  -5.367   2.083  -6.233
    4    HA2  GLY   1           1HA      GLY   1  -7.187   0.416  -4.591
    5    HA3  GLY   1           2HA      GLY   1  -5.907  -0.191  -5.634
    6    H    CYS   2           H        CYS   2  -4.867  -1.179  -3.897
    7    HA   CYS   2           HA       CYS   2  -3.233  -1.352  -2.358
    8    HB2  CYS   2           2HB      CYS   2  -2.809   1.522  -3.136
    9    HB3  CYS   2           1HB      CYS   2  -1.733   0.645  -2.053
   10    H    CYS   3           H        CYS   3  -5.908  -0.738  -1.485
   11    HA   CYS   3           HA       CYS   3  -5.497   0.871   0.887
   12    HB2  CYS   3           2HB      CYS   3  -7.654   0.979  -0.316
   13    HB3  CYS   3           1HB      CYS   3  -7.919  -0.725   0.030
   14    H    SER   4           H        SER   4  -5.881  -2.536  -0.006
   15    HA   SER   4           HA       SER   4  -5.699  -3.313   2.791
   16    HB2  SER   4           2HB      SER   4  -7.319  -4.510   1.401
   17    HB3  SER   4           1HB      SER   4  -6.032  -5.021   0.314
   18    HG   SER   4           HG       SER   4  -6.766  -6.530   2.055
   19    H    ASN   5           H        ASN   5  -4.139  -5.028   0.098
   20    HA   ASN   5           HA       ASN   5  -1.512  -4.169   0.710
   21    HB2  ASN   5           2HB      ASN   5  -1.871  -5.531   2.734
   22    HB3  ASN   5           1HB      ASN   5  -2.214  -6.931   1.722
   23   HD21  ASN   5          2HD2      ASN   5   1.597  -5.702   2.391
   24   HD22  ASN   5          1HD2      ASN   5   0.226  -4.773   2.903
   25    HA   PRO   6           HA       PRO   6  -1.215  -6.449  -3.159
   26    HB2  PRO   6           2HB      PRO   6  -0.705  -4.285  -4.746
   27    HB3  PRO   6           1HB      PRO   6  -2.327  -4.915  -4.452
   28    HG2  PRO   6           2HG      PRO   6  -1.149  -2.425  -3.541
   29    HG3  PRO   6           1HG      PRO   6  -2.834  -2.955  -3.470
   30    HD2  PRO   6           2HD      PRO   6  -0.802  -2.976  -1.373
   31    HD3  PRO   6           1HD      PRO   6  -2.555  -3.214  -1.239
   32    H    ALA   7           H        ALA   7   0.626  -3.434  -3.262
   33    HA   ALA   7           HA       ALA   7   2.961  -4.690  -2.083
   34    HB1  ALA   7           1HB      ALA   7   3.069  -3.502  -4.849
   35    HB2  ALA   7           2HB      ALA   7   3.165  -5.218  -4.459
   36    HB3  ALA   7           3HB      ALA   7   4.434  -4.120  -3.922
   37    H    CYS   8           H        CYS   8   1.096  -1.956  -2.940
   38    HA   CYS   8           HA       CYS   8   2.820   0.173  -2.604
   39    HB2  CYS   8           2HB      CYS   8  -0.090  -0.117  -1.883
   40    HB3  CYS   8           1HB      CYS   8   0.767   1.413  -1.852
   41    H    ILE   9           H        ILE   9   0.960  -1.526  -0.102
   42    HA   ILE   9           HA       ILE   9   1.415   0.214   2.028
   43    HB   ILE   9           HB       ILE   9   1.375  -2.706   2.629
   44   HG12  ILE   9          2HG1      ILE   9  -0.098  -2.559   0.688
   45   HG13  ILE   9          1HG1      ILE   9  -1.024  -2.863   2.153
   46   HG21  ILE   9          1HG2      ILE   9  -0.254  -1.968   4.316
   47   HG22  ILE   9          2HG2      ILE   9  -0.129  -0.322   3.696
   48   HG23  ILE   9          3HG2      ILE   9   1.274  -1.098   4.431
   49   HD11  ILE   9          3HD1      ILE   9  -1.679  -0.519   2.228
   50   HD12  ILE   9          1HD1      ILE   9  -2.141  -1.270   0.701
   51   HD13  ILE   9          2HD1      ILE   9  -0.736  -0.207   0.771
   52    H    LEU  10           H        LEU  10   3.456  -2.277   0.679
   53    HA   LEU  10           HA       LEU  10   5.337  -2.592   2.714
   54    HB2  LEU  10           2HB      LEU  10   5.137  -3.880   0.545
   55    HB3  LEU  10           1HB      LEU  10   5.925  -2.538  -0.249
   56    HG   LEU  10           HG       LEU  10   7.370  -4.545   0.284
   57   HD11  LEU  10          1HD1      LEU  10   8.348  -2.392  -0.274
   58   HD12  LEU  10          2HD1      LEU  10   9.302  -3.218   0.958
   59   HD13  LEU  10          3HD1      LEU  10   8.235  -1.890   1.413
   60   HD21  LEU  10          3HD2      LEU  10   6.479  -5.008   2.509
   61   HD22  LEU  10          1HD2      LEU  10   7.137  -3.481   3.093
   62   HD23  LEU  10          2HD2      LEU  10   8.224  -4.759   2.549
   63    H    ASN  11           H        ASN  11   5.162  -0.183   0.139
   64    HA   ASN  11           HA       ASN  11   7.503   1.220   1.179
   65    HB2  ASN  11           2HB      ASN  11   7.425   0.891  -1.212
   66    HB3  ASN  11           1HB      ASN  11   5.821   1.600  -1.304
   67   HD21  ASN  11          2HD2      ASN  11   7.432   4.474  -2.371
   68   HD22  ASN  11          1HD2      ASN  11   6.424   3.125  -2.768
   69    H    ASN  12           H        ASN  12   4.084   1.435   0.988
   70    HA   ASN  12           HA       ASN  12   2.511   2.732   1.944
   71    HB2  ASN  12           2HB      ASN  12   4.793   3.980   3.484
   72    HB3  ASN  12           1HB      ASN  12   3.085   4.215   3.827
   73   HD21  ASN  12          2HD2      ASN  12   2.669   1.156   5.465
   74   HD22  ASN  12          1HD2      ASN  12   1.888   2.487   4.690
   75    HA   PRO  13           HA       PRO  13   3.513   6.510  -0.608
   76    HB2  PRO  13           2HB      PRO  13   2.426   5.378  -3.009
   77    HB3  PRO  13           1HB      PRO  13   4.072   5.928  -2.719
   78    HG2  PRO  13           2HG      PRO  13   3.375   3.302  -3.137
   79    HG3  PRO  13           1HG      PRO  13   4.829   3.823  -2.271
   80    HD2  PRO  13           2HD      PRO  13   2.195   2.915  -1.173
   81    HD3  PRO  13           1HD      PRO  13   3.840   2.535  -0.616
   82    H    ASN  14           H        ASN  14   0.947   4.388  -1.848
   83    HA   ASN  14           HA       ASN  14  -1.031   6.341  -0.896
   84    HB2  ASN  14           2HB      ASN  14  -1.022   6.072  -3.346
   85    HB3  ASN  14           1HB      ASN  14  -1.289   4.344  -3.156
   86   HD21  ASN  14          2HD2      ASN  14  -4.720   4.599  -2.564
   87   HD22  ASN  14          1HD2      ASN  14  -3.307   3.596  -2.537
   88    H    GLN  15           H        GLN  15  -0.773   5.225   1.180
   89    HA   GLN  15           HA       GLN  15  -2.354   2.814   1.361
   90    HB2  GLN  15           2HB      GLN  15  -0.245   3.802   2.871
   91    HB3  GLN  15           1HB      GLN  15  -1.652   4.116   3.888
   92    HG2  GLN  15           2HG      GLN  15  -0.746   1.483   2.761
   93    HG3  GLN  15           1HG      GLN  15  -0.729   1.988   4.450
   94   HE21  GLN  15          2HE2      GLN  15  -4.166   0.756   2.658
   95   HE22  GLN  15          1HE2      GLN  15  -2.805   1.314   1.724
   96    H    CYS  16           H        CYS  16  -4.402   2.779   2.317
   97    HA   CYS  16           HA       CYS  16  -5.862   5.202   1.790
   98    HB2  CYS  16           2HB      CYS  16  -7.863   3.770   2.145
   99    HB3  CYS  16           1HB      CYS  16  -6.749   3.116   0.958
  Start of MODEL   14
    1    H1   GLY   1           1HT      GLY   1  -8.037  -0.482  -6.139
    2    H2   GLY   1           2HT      GLY   1  -7.741  -0.365  -4.477
    3    H3   GLY   1           3HT      GLY   1  -7.490  -1.829  -5.279
    4    HA2  GLY   1           1HA      GLY   1  -5.711  -0.852  -6.576
    5    HA3  GLY   1           2HA      GLY   1  -5.964   0.667  -5.729
    6    H    CYS   2           H        CYS   2  -5.093   0.963  -3.746
    7    HA   CYS   2           HA       CYS   2  -3.569  -1.296  -2.623
    8    HB2  CYS   2           2HB      CYS   2  -2.698   1.587  -2.900
    9    HB3  CYS   2           1HB      CYS   2  -1.819   0.360  -1.996
   10    H    CYS   3           H        CYS   3  -5.989  -1.021  -1.671
   11    HA   CYS   3           HA       CYS   3  -5.792   0.637   0.752
   12    HB2  CYS   3           2HB      CYS   3  -7.674   1.025  -0.945
   13    HB3  CYS   3           1HB      CYS   3  -8.328  -0.515  -0.408
   14    H    SER   4           H        SER   4  -5.546  -2.511  -0.319
   15    HA   SER   4           HA       SER   4  -6.030  -3.462   2.423
   16    HB2  SER   4           2HB      SER   4  -7.436  -4.621   0.742
   17    HB3  SER   4           1HB      SER   4  -5.980  -5.125  -0.114
   18    HG   SER   4           HG       SER   4  -6.031  -6.785   1.168
   19    H    ASN   5           H        ASN   5  -4.175  -5.162  -0.042
   20    HA   ASN   5           HA       ASN   5  -1.700  -3.940   0.468
   21    HB2  ASN   5           2HB      ASN   5  -1.935  -5.161   2.653
   22    HB3  ASN   5           1HB      ASN   5  -1.914  -6.671   1.748
   23   HD21  ASN   5          2HD2      ASN   5   1.516  -5.718   2.976
   24   HD22  ASN   5          1HD2      ASN   5  -0.034  -5.798   3.747
   25    HA   PRO   6           HA       PRO   6  -1.142  -6.597  -3.123
   26    HB2  PRO   6           2HB      PRO   6  -0.427  -4.508  -4.778
   27    HB3  PRO   6           1HB      PRO   6  -2.040  -5.210  -4.689
   28    HG2  PRO   6           2HG      PRO   6  -1.155  -2.602  -3.812
   29    HG3  PRO   6           1HG      PRO   6  -2.799  -3.244  -3.905
   30    HD2  PRO   6           2HD      PRO   6  -1.079  -2.937  -1.583
   31    HD3  PRO   6           1HD      PRO   6  -2.800  -3.347  -1.652
   32    H    ALA   7           H        ALA   7   0.703  -3.565  -3.071
   33    HA   ALA   7           HA       ALA   7   2.846  -4.744  -1.548
   34    HB1  ALA   7           1HB      ALA   7   3.394  -3.803  -4.358
   35    HB2  ALA   7           2HB      ALA   7   3.392  -5.482  -3.820
   36    HB3  ALA   7           3HB      ALA   7   4.589  -4.354  -3.185
   37    H    CYS   8           H        CYS   8   1.154  -2.084  -2.885
   38    HA   CYS   8           HA       CYS   8   2.731   0.115  -2.584
   39    HB2  CYS   8           2HB      CYS   8  -0.161  -0.336  -1.957
   40    HB3  CYS   8           1HB      CYS   8   0.565   1.251  -1.776
   41    H    ILE   9           H        ILE   9   1.027  -1.603  -0.024
   42    HA   ILE   9           HA       ILE   9   1.214   0.231   2.038
   43    HB   ILE   9           HB       ILE   9   1.574  -2.700   2.576
   44   HG12  ILE   9          2HG1      ILE   9  -0.067  -2.574   0.799
   45   HG13  ILE   9          1HG1      ILE   9  -0.857  -2.997   2.314
   46   HG21  ILE   9          1HG2      ILE   9   1.520  -1.199   4.483
   47   HG22  ILE   9          2HG2      ILE   9   0.078  -2.211   4.456
   48   HG23  ILE   9          3HG2      ILE   9  -0.016  -0.530   3.934
   49   HD11  ILE   9          3HD1      ILE   9  -0.845  -0.282   1.011
   50   HD12  ILE   9          1HD1      ILE   9  -1.610  -0.673   2.551
   51   HD13  ILE   9          2HD1      ILE   9  -2.195  -1.416   1.063
   52    H    LEU  10           H        LEU  10   3.531  -2.182   0.979
   53    HA   LEU  10           HA       LEU  10   5.368  -1.899   3.095
   54    HB2  LEU  10           2HB      LEU  10   5.222  -3.731   1.329
   55    HB3  LEU  10           1HB      LEU  10   6.068  -2.635   0.258
   56    HG   LEU  10           HG       LEU  10   7.463  -4.417   1.403
   57   HD11  LEU  10          1HD1      LEU  10   9.348  -2.908   1.834
   58   HD12  LEU  10          2HD1      LEU  10   8.244  -1.535   1.768
   59   HD13  LEU  10          3HD1      LEU  10   8.507  -2.526   0.333
   60   HD21  LEU  10          3HD2      LEU  10   8.162  -4.024   3.681
   61   HD22  LEU  10          1HD2      LEU  10   6.413  -4.225   3.617
   62   HD23  LEU  10          2HD2      LEU  10   7.110  -2.615   3.792
   63    H    ASN  11           H        ASN  11   5.120  -0.255  -0.035
   64    HA   ASN  11           HA       ASN  11   7.490   1.313   0.367
   65    HB2  ASN  11           2HB      ASN  11   6.731   0.763  -1.892
   66    HB3  ASN  11           1HB      ASN  11   5.227   1.633  -1.619
   67   HD21  ASN  11          2HD2      ASN  11   6.747   4.292  -3.269
   68   HD22  ASN  11          1HD2      ASN  11   5.547   3.045  -3.304
   69    H    ASN  12           H        ASN  12   4.098   1.692   0.966
   70    HA   ASN  12           HA       ASN  12   2.861   3.170   2.157
   71    HB2  ASN  12           2HB      ASN  12   5.473   3.396   3.317
   72    HB3  ASN  12           1HB      ASN  12   4.717   4.981   3.283
   73   HD21  ASN  12          2HD2      ASN  12   2.563   2.125   5.256
   74   HD22  ASN  12          1HD2      ASN  12   3.198   1.807   3.678
   75    HA   PRO  13           HA       PRO  13   3.862   6.623  -0.850
   76    HB2  PRO  13           2HB      PRO  13   2.505   5.948  -3.071
   77    HB3  PRO  13           1HB      PRO  13   4.134   5.343  -2.753
   78    HG2  PRO  13           2HG      PRO  13   1.518   3.956  -2.512
   79    HG3  PRO  13           1HG      PRO  13   3.100   3.303  -2.959
   80    HD2  PRO  13           2HD      PRO  13   1.880   3.135  -0.435
   81    HD3  PRO  13           1HD      PRO  13   3.575   2.774  -0.808
   82    H    ASN  14           H        ASN  14   0.744   4.909  -0.987
   83    HA   ASN  14           HA       ASN  14  -0.596   7.433  -0.302
   84    HB2  ASN  14           2HB      ASN  14  -2.594   6.561  -1.467
   85    HB3  ASN  14           1HB      ASN  14  -1.217   6.713  -2.546
   86   HD21  ASN  14          2HD2      ASN  14  -3.077   3.456  -2.946
   87   HD22  ASN  14          1HD2      ASN  14  -3.627   5.085  -2.755
   88    H    GLN  15           H        GLN  15  -1.045   3.903  -0.076
   89    HA   GLN  15           HA       GLN  15  -1.906   2.560   1.501
   90    HB2  GLN  15           2HB      GLN  15   0.046   3.885   2.727
   91    HB3  GLN  15           1HB      GLN  15  -1.298   4.500   3.680
   92    HG2  GLN  15           2HG      GLN  15  -0.510   1.619   3.314
   93    HG3  GLN  15           1HG      GLN  15  -0.341   2.589   4.775
   94   HE21  GLN  15          2HE2      GLN  15  -3.926   0.967   3.731
   95   HE22  GLN  15          1HE2      GLN  15  -2.598   1.033   2.620
   96    H    CYS  16           H        CYS  16  -4.020   2.910   0.682
   97    HA   CYS  16           HA       CYS  16  -5.797   4.805   1.847
   98    HB2  CYS  16           2HB      CYS  16  -6.406   4.003  -0.289
   99    HB3  CYS  16           1HB      CYS  16  -6.184   2.327   0.179
  Start of MODEL   15
    1    H1   GLY   1           1HT      GLY   1  -7.625  -2.975  -3.196
    2    H2   GLY   1           2HT      GLY   1  -6.600  -3.793  -4.259
    3    H3   GLY   1           3HT      GLY   1  -7.974  -3.006  -4.848
    4    HA2  GLY   1           1HA      GLY   1  -5.987  -1.728  -5.329
    5    HA3  GLY   1           2HA      GLY   1  -7.074  -0.866  -4.249
    6    H    CYS   2           H        CYS   2  -5.106   0.364  -3.700
    7    HA   CYS   2           HA       CYS   2  -3.110  -1.093  -2.165
    8    HB2  CYS   2           2HB      CYS   2  -3.265   1.782  -3.060
    9    HB3  CYS   2           1HB      CYS   2  -2.007   1.170  -1.988
   10    H    CYS   3           H        CYS   3  -5.999  -0.416  -1.261
   11    HA   CYS   3           HA       CYS   3  -5.358   0.929   1.225
   12    HB2  CYS   3           2HB      CYS   3  -7.578   1.244   0.090
   13    HB3  CYS   3           1HB      CYS   3  -7.949  -0.435   0.468
   14    H    SER   4           H        SER   4  -6.023  -2.314   0.022
   15    HA   SER   4           HA       SER   4  -5.859  -3.472   2.653
   16    HB2  SER   4           2HB      SER   4  -7.312  -4.498   0.965
   17    HB3  SER   4           1HB      SER   4  -5.915  -4.810  -0.062
   18    HG   SER   4           HG       SER   4  -6.301  -5.857   2.555
   19    H    ASN   5           H        ASN   5  -4.065  -4.862  -0.049
   20    HA   ASN   5           HA       ASN   5  -1.523  -3.886   0.687
   21    HB2  ASN   5           2HB      ASN   5  -1.804  -5.244   2.683
   22    HB3  ASN   5           1HB      ASN   5  -2.173  -6.663   1.703
   23   HD21  ASN   5          2HD2      ASN   5   1.654  -5.467   2.305
   24   HD22  ASN   5          1HD2      ASN   5   0.304  -4.514   2.822
   25    HA   PRO   6           HA       PRO   6  -0.966  -6.091  -3.202
   26    HB2  PRO   6           2HB      PRO   6  -0.558  -3.884  -4.757
   27    HB3  PRO   6           1HB      PRO   6  -2.136  -4.637  -4.528
   28    HG2  PRO   6           2HG      PRO   6  -1.175  -2.075  -3.551
   29    HG3  PRO   6           1HG      PRO   6  -2.824  -2.715  -3.570
   30    HD2  PRO   6           2HD      PRO   6  -0.920  -2.608  -1.366
   31    HD3  PRO   6           1HD      PRO   6  -2.648  -3.006  -1.333
   32    H    ALA   7           H        ALA   7   0.678  -2.985  -3.412
   33    HA   ALA   7           HA       ALA   7   3.040  -4.055  -2.078
   34    HB1  ALA   7           1HB      ALA   7   3.367  -4.561  -4.444
   35    HB2  ALA   7           2HB      ALA   7   4.533  -3.374  -3.863
   36    HB3  ALA   7           3HB      ALA   7   3.158  -2.854  -4.838
   37    H    CYS   8           H        CYS   8   0.929  -1.495  -2.769
   38    HA   CYS   8           HA       CYS   8   2.527   0.746  -2.405
   39    HB2  CYS   8           2HB      CYS   8  -0.363   0.214  -1.767
   40    HB3  CYS   8           1HB      CYS   8   0.374   1.790  -1.536
   41    H    ILE   9           H        ILE   9   0.856  -1.236   0.013
   42    HA   ILE   9           HA       ILE   9   1.305   0.421   2.228
   43    HB   ILE   9           HB       ILE   9   1.403  -2.510   2.705
   44   HG12  ILE   9          2HG1      ILE   9  -0.122  -2.372   0.788
   45   HG13  ILE   9          1HG1      ILE   9  -0.978  -2.811   2.261
   46   HG21  ILE   9          1HG2      ILE   9   1.246  -0.937   4.548
   47   HG22  ILE   9          2HG2      ILE   9  -0.210  -1.927   4.454
   48   HG23  ILE   9          3HG2      ILE   9  -0.235  -0.264   3.869
   49   HD11  ILE   9          3HD1      ILE   9  -2.260  -1.242   0.947
   50   HD12  ILE   9          1HD1      ILE   9  -0.928  -0.089   0.989
   51   HD13  ILE   9          2HD1      ILE   9  -1.772  -0.515   2.479
   52    H    LEU  10           H        LEU  10   3.352  -1.873   0.612
   53    HA   LEU  10           HA       LEU  10   5.236  -2.332   2.653
   54    HB2  LEU  10           2HB      LEU  10   4.959  -3.709   0.613
   55    HB3  LEU  10           1HB      LEU  10   5.636  -2.404  -0.337
   56    HG   LEU  10           HG       LEU  10   7.769  -2.639   0.887
   57   HD11  LEU  10          1HD1      LEU  10   6.416  -5.016   2.155
   58   HD12  LEU  10          2HD1      LEU  10   6.923  -3.541   2.978
   59   HD13  LEU  10          3HD1      LEU  10   8.130  -4.622   2.283
   60   HD21  LEU  10          3HD2      LEU  10   8.443  -4.745  -0.148
   61   HD22  LEU  10          1HD2      LEU  10   7.429  -3.794  -1.233
   62   HD23  LEU  10          2HD2      LEU  10   6.750  -5.179  -0.378
   63    H    ASN  11           H        ASN  11   4.914   0.247   0.300
   64    HA   ASN  11           HA       ASN  11   7.454   1.395   1.262
   65    HB2  ASN  11           2HB      ASN  11   5.972   1.988  -1.308
   66    HB3  ASN  11           1HB      ASN  11   7.507   2.695  -0.822
   67   HD21  ASN  11          2HD2      ASN  11   7.332  -1.005  -2.449
   68   HD22  ASN  11          1HD2      ASN  11   5.904  -0.118  -2.040
   69    H    ASN  12           H        ASN  12   4.126   1.702   1.206
   70    HA   ASN  12           HA       ASN  12   2.612   3.130   2.041
   71    HB2  ASN  12           2HB      ASN  12   4.965   4.252   3.567
   72    HB3  ASN  12           1HB      ASN  12   3.270   4.551   3.937
   73   HD21  ASN  12          2HD2      ASN  12   2.727   1.424   5.453
   74   HD22  ASN  12          1HD2      ASN  12   1.984   2.788   4.688
   75    HA   PRO  13           HA       PRO  13   3.932   6.858  -0.533
   76    HB2  PRO  13           2HB      PRO  13   2.758   5.728  -2.922
   77    HB3  PRO  13           1HB      PRO  13   4.407   6.273  -2.669
   78    HG2  PRO  13           2HG      PRO  13   3.742   3.664  -3.052
   79    HG3  PRO  13           1HG      PRO  13   5.155   4.180  -2.112
   80    HD2  PRO  13           2HD      PRO  13   2.446   3.330  -1.146
   81    HD3  PRO  13           1HD      PRO  13   4.052   2.893  -0.519
   82    H    ASN  14           H        ASN  14   1.246   4.912  -1.768
   83    HA   ASN  14           HA       ASN  14  -0.571   7.148  -1.463
   84    HB2  ASN  14           2HB      ASN  14  -0.676   5.888  -3.537
   85    HB3  ASN  14           1HB      ASN  14  -0.942   4.390  -2.654
   86   HD21  ASN  14          2HD2      ASN  14  -4.309   4.877  -3.402
   87   HD22  ASN  14          1HD2      ASN  14  -2.861   3.983  -3.726
   88    H    GLN  15           H        GLN  15  -1.030   3.687  -0.768
   89    HA   GLN  15           HA       GLN  15  -2.341   2.626   0.754
   90    HB2  GLN  15           2HB      GLN  15  -0.357   4.028   2.095
   91    HB3  GLN  15           1HB      GLN  15  -1.820   4.445   2.982
   92    HG2  GLN  15           2HG      GLN  15  -0.941   1.635   2.367
   93    HG3  GLN  15           1HG      GLN  15  -0.589   2.482   3.870
   94   HE21  GLN  15          2HE2      GLN  15  -4.290   0.975   3.133
   95   HE22  GLN  15          1HE2      GLN  15  -3.114   1.145   1.864
   96    H    CYS  16           H        CYS  16  -3.965   3.400   2.853
   97    HA   CYS  16           HA       CYS  16  -5.673   5.470   1.680
   98    HB2  CYS  16           2HB      CYS  16  -7.635   4.103   2.414
   99    HB3  CYS  16           1HB      CYS  16  -6.698   3.379   1.120
  Start of MODEL   16
    1    H1   GLY   1           1HT      GLY   1  -4.340   1.411  -6.689
    2    H2   GLY   1           2HT      GLY   1  -5.717   0.865  -7.504
    3    H3   GLY   1           3HT      GLY   1  -4.480  -0.220  -7.113
    4    HA2  GLY   1           1HA      GLY   1  -6.178   1.215  -5.155
    5    HA3  GLY   1           2HA      GLY   1  -6.369  -0.469  -5.623
    6    H    CYS   2           H        CYS   2  -5.450   1.178  -3.098
    7    HA   CYS   2           HA       CYS   2  -3.366  -0.765  -2.419
    8    HB2  CYS   2           2HB      CYS   2  -3.155   2.124  -1.586
    9    HB3  CYS   2           1HB      CYS   2  -1.950   0.852  -1.411
   10    H    CYS   3           H        CYS   3  -6.141  -0.789  -1.767
   11    HA   CYS   3           HA       CYS   3  -6.028  -0.220   1.126
   12    HB2  CYS   3           2HB      CYS   3  -7.672   1.111  -0.358
   13    HB3  CYS   3           1HB      CYS   3  -8.589  -0.387  -0.454
   14    H    SER   4           H        SER   4  -5.741  -2.657  -0.948
   15    HA   SER   4           HA       SER   4  -6.906  -4.568   0.960
   16    HB2  SER   4           2HB      SER   4  -8.215  -4.469  -1.182
   17    HB3  SER   4           1HB      SER   4  -6.761  -4.975  -2.039
   18    HG   SER   4           HG       SER   4  -7.197  -6.642   0.008
   19    H    ASN   5           H        ASN   5  -4.318  -3.375   0.802
   20    HA   ASN   5           HA       ASN   5  -2.126  -3.813   0.918
   21    HB2  ASN   5           2HB      ASN   5  -2.658  -5.332   2.658
   22    HB3  ASN   5           1HB      ASN   5  -3.165  -6.577   1.516
   23   HD21  ASN   5          2HD2      ASN   5   0.792  -5.990   2.336
   24   HD22  ASN   5          1HD2      ASN   5  -0.417  -4.869   2.861
   25    HA   PRO   6           HA       PRO   6  -0.612  -5.477  -2.883
   26    HB2  PRO   6           2HB      PRO   6  -0.133  -3.145  -4.179
   27    HB3  PRO   6           1HB      PRO   6  -1.664  -4.005  -4.340
   28    HG2  PRO   6           2HG      PRO   6  -1.088  -1.488  -2.979
   29    HG3  PRO   6           1HG      PRO   6  -2.645  -2.168  -3.470
   30    HD2  PRO   6           2HD      PRO   6  -1.373  -2.211  -0.853
   31    HD3  PRO   6           1HD      PRO   6  -3.025  -2.685  -1.295
   32    H    ALA   7           H        ALA   7   1.566  -3.739  -3.789
   33    HA   ALA   7           HA       ALA   7   3.277  -3.925  -1.476
   34    HB1  ALA   7           1HB      ALA   7   4.101  -4.528  -3.685
   35    HB2  ALA   7           2HB      ALA   7   5.064  -3.243  -2.955
   36    HB3  ALA   7           3HB      ALA   7   3.894  -2.861  -4.221
   37    H    CYS   8           H        CYS   8   1.091  -1.663  -2.456
   38    HA   CYS   8           HA       CYS   8   2.309   0.808  -2.071
   39    HB2  CYS   8           2HB      CYS   8  -0.461  -0.182  -1.474
   40    HB3  CYS   8           1HB      CYS   8   0.002   1.500  -1.346
   41    H    ILE   9           H        ILE   9   1.175  -1.545   0.202
   42    HA   ILE   9           HA       ILE   9   1.256   0.130   2.508
   43    HB   ILE   9           HB       ILE   9   1.659  -2.798   2.836
   44   HG12  ILE   9          2HG1      ILE   9   0.166  -2.713   0.895
   45   HG13  ILE   9          1HG1      ILE   9  -0.683  -3.298   2.320
   46   HG21  ILE   9          1HG2      ILE   9   1.300  -1.295   4.737
   47   HG22  ILE   9          2HG2      ILE   9   0.017  -2.496   4.597
   48   HG23  ILE   9          3HG2      ILE   9  -0.268  -0.838   4.073
   49   HD11  ILE   9          3HD1      ILE   9  -2.068  -1.782   1.039
   50   HD12  ILE   9          1HD1      ILE   9  -0.847  -0.519   1.186
   51   HD13  ILE   9          2HD1      ILE   9  -1.693  -1.100   2.620
   52    H    LEU  10           H        LEU  10   3.581  -1.795   0.797
   53    HA   LEU  10           HA       LEU  10   5.475  -1.994   2.923
   54    HB2  LEU  10           2HB      LEU  10   5.198  -3.449   0.786
   55    HB3  LEU  10           1HB      LEU  10   6.162  -2.215   0.007
   56    HG   LEU  10           HG       LEU  10   7.438  -4.234   0.740
   57   HD11  LEU  10          1HD1      LEU  10   9.321  -3.015   1.682
   58   HD12  LEU  10          2HD1      LEU  10   8.269  -1.641   2.024
   59   HD13  LEU  10          3HD1      LEU  10   8.580  -2.121   0.355
   60   HD21  LEU  10          3HD2      LEU  10   7.941  -4.542   3.082
   61   HD22  LEU  10          1HD2      LEU  10   6.200  -4.634   2.825
   62   HD23  LEU  10          2HD2      LEU  10   6.915  -3.176   3.512
   63    H    ASN  11           H        ASN  11   5.345  -0.001  -0.041
   64    HA   ASN  11           HA       ASN  11   7.602   1.575   0.859
   65    HB2  ASN  11           2HB      ASN  11   5.808   1.902  -1.556
   66    HB3  ASN  11           1HB      ASN  11   7.236   2.875  -1.231
   67   HD21  ASN  11          2HD2      ASN  11   7.929  -0.001  -3.553
   68   HD22  ASN  11          1HD2      ASN  11   6.663   1.176  -3.495
   69    H    ASN  12           H        ASN  12   4.216   1.671   1.044
   70    HA   ASN  12           HA       ASN  12   2.678   3.076   1.891
   71    HB2  ASN  12           2HB      ASN  12   5.123   4.065   3.333
   72    HB3  ASN  12           1HB      ASN  12   3.542   4.782   3.609
   73   HD21  ASN  12          2HD2      ASN  12   2.359   1.474   4.873
   74   HD22  ASN  12          1HD2      ASN  12   1.947   2.464   3.526
   75    HA   PRO  13           HA       PRO  13   3.812   6.738  -0.836
   76    HB2  PRO  13           2HB      PRO  13   3.045   6.002  -3.276
   77    HB3  PRO  13           1HB      PRO  13   4.616   5.515  -2.643
   78    HG2  PRO  13           2HG      PRO  13   2.091   3.931  -2.822
   79    HG3  PRO  13           1HG      PRO  13   3.751   3.438  -3.204
   80    HD2  PRO  13           2HD      PRO  13   2.472   2.884  -0.829
   81    HD3  PRO  13           1HD      PRO  13   4.231   2.959  -1.027
   82    H    ASN  14           H        ASN  14   1.145   4.642  -0.413
   83    HA   ASN  14           HA       ASN  14  -0.760   6.816  -0.809
   84    HB2  ASN  14           2HB      ASN  14  -0.666   5.592  -2.951
   85    HB3  ASN  14           1HB      ASN  14  -1.033   4.094  -2.104
   86   HD21  ASN  14          2HD2      ASN  14  -4.326   4.686  -3.044
   87   HD22  ASN  14          1HD2      ASN  14  -2.891   3.745  -3.274
   88    H    GLN  15           H        GLN  15  -0.744   3.301  -0.194
   89    HA   GLN  15           HA       GLN  15  -1.810   2.017   1.334
   90    HB2  GLN  15           2HB      GLN  15  -0.238   3.820   2.684
   91    HB3  GLN  15           1HB      GLN  15  -1.796   4.032   3.477
   92    HG2  GLN  15           2HG      GLN  15  -0.383   1.397   3.118
   93    HG3  GLN  15           1HG      GLN  15  -0.315   2.384   4.576
   94   HE21  GLN  15          2HE2      GLN  15  -3.612   0.180   3.683
   95   HE22  GLN  15          1HE2      GLN  15  -2.390   0.500   2.498
   96    H    CYS  16           H        CYS  16  -3.540   2.823   3.508
   97    HA   CYS  16           HA       CYS  16  -5.715   4.349   2.490
   98    HB2  CYS  16           2HB      CYS  16  -5.939   2.349   1.061
   99    HB3  CYS  16           1HB      CYS  16  -5.982   1.331   2.492
  Start of MODEL   17
    1    H1   GLY   1           1HT      GLY   1  -7.123   1.495  -6.638
    2    H2   GLY   1           2HT      GLY   1  -5.500   1.812  -6.291
    3    H3   GLY   1           3HT      GLY   1  -6.716   2.505  -5.345
    4    HA2  GLY   1           1HA      GLY   1  -7.383   0.332  -4.554
    5    HA3  GLY   1           2HA      GLY   1  -6.116  -0.390  -5.533
    6    H    CYS   2           H        CYS   2  -4.864  -1.233  -3.952
    7    HA   CYS   2           HA       CYS   2  -3.298  -1.341  -2.333
    8    HB2  CYS   2           2HB      CYS   2  -2.953   1.546  -3.117
    9    HB3  CYS   2           1HB      CYS   2  -1.854   0.690  -2.040
   10    H    CYS   3           H        CYS   3  -6.011  -0.806  -1.507
   11    HA   CYS   3           HA       CYS   3  -5.657   0.925   0.806
   12    HB2  CYS   3           2HB      CYS   3  -7.736   1.195  -0.456
   13    HB3  CYS   3           1HB      CYS   3  -8.134  -0.496  -0.192
   14    H    SER   4           H        SER   4  -6.201  -2.460   0.010
   15    HA   SER   4           HA       SER   4  -6.133  -3.196   2.813
   16    HB2  SER   4           2HB      SER   4  -7.637  -4.417   1.286
   17    HB3  SER   4           1HB      SER   4  -6.247  -4.949   0.343
   18    HG   SER   4           HG       SER   4  -6.450  -6.600   1.669
   19    H    ASN   5           H        ASN   5  -4.380  -4.854   0.205
   20    HA   ASN   5           HA       ASN   5  -1.825  -3.897   0.870
   21    HB2  ASN   5           2HB      ASN   5  -2.047  -5.063   2.959
   22    HB3  ASN   5           1HB      ASN   5  -2.563  -6.538   2.142
   23   HD21  ASN   5          2HD2      ASN   5   1.368  -5.527   2.358
   24   HD22  ASN   5          1HD2      ASN   5   0.121  -4.408   2.785
   25    HA   PRO   6           HA       PRO   6  -1.316  -6.384  -2.849
   26    HB2  PRO   6           2HB      PRO   6  -0.822  -4.295  -4.537
   27    HB3  PRO   6           1HB      PRO   6  -2.428  -4.960  -4.247
   28    HG2  PRO   6           2HG      PRO   6  -1.366  -2.383  -3.457
   29    HG3  PRO   6           1HG      PRO   6  -3.029  -2.977  -3.373
   30    HD2  PRO   6           2HD      PRO   6  -1.012  -2.814  -1.260
   31    HD3  PRO   6           1HD      PRO   6  -2.761  -3.078  -1.129
   32    H    ALA   7           H        ALA   7   0.477  -3.376  -3.254
   33    HA   ALA   7           HA       ALA   7   2.891  -4.548  -2.107
   34    HB1  ALA   7           1HB      ALA   7   4.227  -4.070  -4.071
   35    HB2  ALA   7           2HB      ALA   7   2.796  -3.494  -4.925
   36    HB3  ALA   7           3HB      ALA   7   2.925  -5.191  -4.460
   37    H    CYS   8           H        CYS   8   1.036  -1.789  -3.075
   38    HA   CYS   8           HA       CYS   8   2.776   0.334  -2.794
   39    HB2  CYS   8           2HB      CYS   8  -0.104   0.063  -1.932
   40    HB3  CYS   8           1HB      CYS   8   0.761   1.587  -1.932
   41    H    ILE   9           H        ILE   9   1.025  -1.367  -0.235
   42    HA   ILE   9           HA       ILE   9   1.419   0.375   1.876
   43    HB   ILE   9           HB       ILE   9   1.585  -2.550   2.449
   44   HG12  ILE   9          2HG1      ILE   9   0.029  -2.462   0.575
   45   HG13  ILE   9          1HG1      ILE   9  -0.822  -2.823   2.072
   46   HG21  ILE   9          1HG2      ILE   9   0.044  -1.960   4.233
   47   HG22  ILE   9          2HG2      ILE   9  -0.058  -0.313   3.618
   48   HG23  ILE   9          3HG2      ILE   9   1.467  -0.920   4.260
   49   HD11  ILE   9          3HD1      ILE   9  -2.088  -1.279   0.707
   50   HD12  ILE   9          1HD1      ILE   9  -0.730  -0.154   0.688
   51   HD13  ILE   9          2HD1      ILE   9  -1.568  -0.501   2.200
   52    H    LEU  10           H        LEU  10   3.567  -2.070   0.587
   53    HA   LEU  10           HA       LEU  10   5.430  -2.283   2.635
   54    HB2  LEU  10           2HB      LEU  10   5.377  -3.729   0.667
   55    HB3  LEU  10           1HB      LEU  10   5.884  -2.393  -0.346
   56    HG   LEU  10           HG       LEU  10   8.043  -2.320   0.856
   57   HD11  LEU  10          1HD1      LEU  10   6.987  -4.777   2.250
   58   HD12  LEU  10          2HD1      LEU  10   7.335  -3.217   2.996
   59   HD13  LEU  10          3HD1      LEU  10   8.647  -4.189   2.329
   60   HD21  LEU  10          3HD2      LEU  10   8.948  -4.389  -0.095
   61   HD22  LEU  10          1HD2      LEU  10   7.838  -3.593  -1.208
   62   HD23  LEU  10          2HD2      LEU  10   7.312  -5.009  -0.300
   63    H    ASN  11           H        ASN  11   5.084   0.228   0.194
   64    HA   ASN  11           HA       ASN  11   7.519   1.530   1.200
   65    HB2  ASN  11           2HB      ASN  11   5.876   2.076  -1.282
   66    HB3  ASN  11           1HB      ASN  11   7.283   3.018  -0.792
   67   HD21  ASN  11          2HD2      ASN  11   8.193   0.379  -3.281
   68   HD22  ASN  11          1HD2      ASN  11   6.965   1.600  -3.230
   69    H    ASN  12           H        ASN  12   4.216   1.579   1.515
   70    HA   ASN  12           HA       ASN  12   2.630   2.985   2.313
   71    HB2  ASN  12           2HB      ASN  12   5.017   4.114   3.784
   72    HB3  ASN  12           1HB      ASN  12   3.346   4.512   4.155
   73   HD21  ASN  12          2HD2      ASN  12   2.653   1.487   5.794
   74   HD22  ASN  12          1HD2      ASN  12   1.973   2.852   4.977
   75    HA   PRO  13           HA       PRO  13   3.762   6.686  -0.275
   76    HB2  PRO  13           2HB      PRO  13   3.028   5.946  -2.758
   77    HB3  PRO  13           1HB      PRO  13   4.614   5.548  -2.097
   78    HG2  PRO  13           2HG      PRO  13   2.287   3.801  -2.576
   79    HG3  PRO  13           1HG      PRO  13   4.001   3.378  -2.482
   80    HD2  PRO  13           2HD      PRO  13   2.005   3.118  -0.446
   81    HD3  PRO  13           1HD      PRO  13   3.732   2.728  -0.337
   82    H    ASN  14           H        ASN  14   1.073   4.695  -1.473
   83    HA   ASN  14           HA       ASN  14  -0.768   6.938  -1.210
   84    HB2  ASN  14           2HB      ASN  14  -0.831   5.683  -3.309
   85    HB3  ASN  14           1HB      ASN  14  -1.102   4.183  -2.431
   86   HD21  ASN  14          2HD2      ASN  14  -4.469   4.642  -3.149
   87   HD22  ASN  14          1HD2      ASN  14  -3.028   3.731  -3.429
   88    H    GLN  15           H        GLN  15  -0.973   3.448  -0.517
   89    HA   GLN  15           HA       GLN  15  -2.076   2.264   1.042
   90    HB2  GLN  15           2HB      GLN  15  -0.322   3.937   2.347
   91    HB3  GLN  15           1HB      GLN  15  -1.834   4.226   3.205
   92    HG2  GLN  15           2HG      GLN  15  -0.646   1.507   2.708
   93    HG3  GLN  15           1HG      GLN  15  -0.399   2.442   4.178
   94   HE21  GLN  15          2HE2      GLN  15  -3.921   0.525   3.479
   95   HE22  GLN  15          1HE2      GLN  15  -2.779   0.797   2.204
   96    H    CYS  16           H        CYS  16  -3.571   3.557   3.351
   97    HA   CYS  16           HA       CYS  16  -5.799   4.852   2.167
   98    HB2  CYS  16           2HB      CYS  16  -5.970   2.731   0.993
   99    HB3  CYS  16           1HB      CYS  16  -5.910   1.851   2.511
  Start of MODEL   18
    1    H1   GLY   1           1HT      GLY   1  -7.288  -2.402  -5.737
    2    H2   GLY   1           2HT      GLY   1  -7.182  -2.634  -4.067
    3    H3   GLY   1           3HT      GLY   1  -5.934  -3.163  -5.073
    4    HA2  GLY   1           1HA      GLY   1  -5.376  -0.913  -5.669
    5    HA3  GLY   1           2HA      GLY   1  -6.711  -0.329  -4.685
    6    H    CYS   2           H        CYS   2  -4.848   0.919  -3.711
    7    HA   CYS   2           HA       CYS   2  -3.038  -0.662  -2.082
    8    HB2  CYS   2           2HB      CYS   2  -3.255   2.333  -2.416
    9    HB3  CYS   2           1HB      CYS   2  -2.010   1.494  -1.497
   10    H    CYS   3           H        CYS   3  -6.077  -0.167  -1.582
   11    HA   CYS   3           HA       CYS   3  -5.862   0.638   1.226
   12    HB2  CYS   3           2HB      CYS   3  -7.841   1.114  -0.556
   13    HB3  CYS   3           1HB      CYS   3  -8.426  -0.400   0.118
   14    H    SER   4           H        SER   4  -5.777  -2.011  -0.819
   15    HA   SER   4           HA       SER   4  -5.920  -3.923   1.397
   16    HB2  SER   4           2HB      SER   4  -7.111  -4.425  -0.775
   17    HB3  SER   4           1HB      SER   4  -5.541  -4.432  -1.574
   18    HG   SER   4           HG       SER   4  -6.270  -6.134   0.584
   19    H    ASN   5           H        ASN   5  -3.941  -5.735   0.459
   20    HA   ASN   5           HA       ASN   5  -1.557  -4.025   0.735
   21    HB2  ASN   5           2HB      ASN   5  -1.849  -5.408   2.696
   22    HB3  ASN   5           1HB      ASN   5  -1.978  -6.858   1.706
   23   HD21  ASN   5          2HD2      ASN   5   1.644  -5.270   2.636
   24   HD22  ASN   5          1HD2      ASN   5   0.162  -4.458   3.016
   25    HA   PRO   6           HA       PRO   6  -0.360  -6.095  -3.107
   26    HB2  PRO   6           2HB      PRO   6  -0.122  -3.598  -4.441
   27    HB3  PRO   6           1HB      PRO   6  -1.335  -4.843  -4.726
   28    HG2  PRO   6           2HG      PRO   6  -1.856  -2.318  -3.692
   29    HG3  PRO   6           1HG      PRO   6  -2.919  -3.725  -3.535
   30    HD2  PRO   6           2HD      PRO   6  -0.949  -2.615  -1.570
   31    HD3  PRO   6           1HD      PRO   6  -2.577  -3.275  -1.289
   32    H    ALA   7           H        ALA   7   0.793  -2.731  -2.827
   33    HA   ALA   7           HA       ALA   7   3.271  -3.626  -1.603
   34    HB1  ALA   7           1HB      ALA   7   3.294  -2.213  -4.258
   35    HB2  ALA   7           2HB      ALA   7   3.678  -3.913  -3.990
   36    HB3  ALA   7           3HB      ALA   7   4.703  -2.657  -3.295
   37    H    CYS   8           H        CYS   8   0.953  -1.170  -2.232
   38    HA   CYS   8           HA       CYS   8   2.405   1.136  -1.638
   39    HB2  CYS   8           2HB      CYS   8  -0.468   0.362  -1.459
   40    HB3  CYS   8           1HB      CYS   8   0.055   1.888  -0.772
   41    H    ILE   9           H        ILE   9   1.014  -1.258   0.463
   42    HA   ILE   9           HA       ILE   9   1.262   0.232   2.880
   43    HB   ILE   9           HB       ILE   9   1.434  -2.737   2.966
   44   HG12  ILE   9          2HG1      ILE   9  -0.105  -2.333   1.104
   45   HG13  ILE   9          1HG1      ILE   9  -0.955  -2.987   2.501
   46   HG21  ILE   9          1HG2      ILE   9  -0.152  -2.428   4.805
   47   HG22  ILE   9          2HG2      ILE   9  -0.217  -0.702   4.458
   48   HG23  ILE   9          3HG2      ILE   9   1.287  -1.432   5.015
   49   HD11  ILE   9          3HD1      ILE   9  -1.738  -0.730   3.059
   50   HD12  ILE   9          1HD1      ILE   9  -2.257  -1.245   1.454
   51   HD13  ILE   9          2HD1      ILE   9  -0.919  -0.109   1.626
   52    H    LEU  10           H        LEU  10   3.413  -1.592   0.931
   53    HA   LEU  10           HA       LEU  10   5.382  -1.992   3.009
   54    HB2  LEU  10           2HB      LEU  10   5.341  -2.559   0.058
   55    HB3  LEU  10           1HB      LEU  10   6.802  -2.741   1.005
   56    HG   LEU  10           HG       LEU  10   5.564  -4.389   2.451
   57   HD11  LEU  10          1HD1      LEU  10   3.536  -5.402   1.576
   58   HD12  LEU  10          2HD1      LEU  10   3.514  -4.246   0.247
   59   HD13  LEU  10          3HD1      LEU  10   3.283  -3.688   1.904
   60   HD21  LEU  10          3HD2      LEU  10   5.827  -5.037  -0.481
   61   HD22  LEU  10          1HD2      LEU  10   5.735  -6.215   0.829
   62   HD23  LEU  10          2HD2      LEU  10   7.110  -5.117   0.725
   63    H    ASN  11           H        ASN  11   5.144  -0.023   0.047
   64    HA   ASN  11           HA       ASN  11   7.648   1.306   0.691
   65    HB2  ASN  11           2HB      ASN  11   5.757   1.746  -1.630
   66    HB3  ASN  11           1HB      ASN  11   7.359   2.455  -1.464
   67   HD21  ASN  11          2HD2      ASN  11   7.329  -0.669  -3.580
   68   HD22  ASN  11          1HD2      ASN  11   6.290   0.713  -3.536
   69    H    ASN  12           H        ASN  12   4.364   1.763   1.206
   70    HA   ASN  12           HA       ASN  12   3.071   3.348   2.143
   71    HB2  ASN  12           2HB      ASN  12   5.724   4.342   3.184
   72    HB3  ASN  12           1HB      ASN  12   4.160   4.892   3.762
   73   HD21  ASN  12          2HD2      ASN  12   3.594   1.368   4.986
   74   HD22  ASN  12          1HD2      ASN  12   2.879   2.299   3.722
   75    HA   PRO  13           HA       PRO  13   4.054   6.835  -0.806
   76    HB2  PRO  13           2HB      PRO  13   2.567   5.733  -2.978
   77    HB3  PRO  13           1HB      PRO  13   4.299   6.037  -2.911
   78    HG2  PRO  13           2HG      PRO  13   3.121   3.534  -3.043
   79    HG3  PRO  13           1HG      PRO  13   4.774   3.856  -2.496
   80    HD2  PRO  13           2HD      PRO  13   2.304   3.364  -0.892
   81    HD3  PRO  13           1HD      PRO  13   3.979   2.857  -0.577
   82    H    ASN  14           H        ASN  14   1.164   4.931  -1.539
   83    HA   ASN  14           HA       ASN  14  -0.530   7.236  -1.000
   84    HB2  ASN  14           2HB      ASN  14  -0.950   6.081  -3.079
   85    HB3  ASN  14           1HB      ASN  14  -1.080   4.536  -2.249
   86   HD21  ASN  14          2HD2      ASN  14  -4.514   5.026  -2.544
   87   HD22  ASN  14          1HD2      ASN  14  -3.114   4.187  -3.121
   88    H    GLN  15           H        GLN  15  -0.889   3.765  -0.351
   89    HA   GLN  15           HA       GLN  15  -1.697   2.584   1.389
   90    HB2  GLN  15           2HB      GLN  15   0.360   3.978   2.374
   91    HB3  GLN  15           1HB      GLN  15  -0.918   4.665   3.367
   92    HG2  GLN  15           2HG      GLN  15  -0.166   1.760   3.150
   93    HG3  GLN  15           1HG      GLN  15   0.107   2.828   4.525
   94   HE21  GLN  15          2HE2      GLN  15  -3.540   1.151   3.838
   95   HE22  GLN  15          1HE2      GLN  15  -2.301   1.162   2.632
   96    H    CYS  16           H        CYS  16  -3.875   2.759   0.889
   97    HA   CYS  16           HA       CYS  16  -5.473   4.911   1.930
   98    HB2  CYS  16           2HB      CYS  16  -6.285   3.960  -0.071
   99    HB3  CYS  16           1HB      CYS  16  -6.102   2.323   0.526
  Start of MODEL   19
    1    H1   GLY   1           1HT      GLY   1  -6.905   0.509  -6.684
    2    H2   GLY   1           2HT      GLY   1  -5.347  -0.139  -6.655
    3    H3   GLY   1           3HT      GLY   1  -5.715   1.211  -5.711
    4    HA2  GLY   1           1HA      GLY   1  -7.272  -0.115  -4.403
    5    HA3  GLY   1           2HA      GLY   1  -6.826  -1.516  -5.367
    6    H    CYS   2           H        CYS   2  -5.484   0.965  -3.215
    7    HA   CYS   2           HA       CYS   2  -3.413  -0.984  -2.453
    8    HB2  CYS   2           2HB      CYS   2  -3.287   2.032  -2.436
    9    HB3  CYS   2           1HB      CYS   2  -2.058   0.977  -1.744
   10    H    CYS   3           H        CYS   3  -6.170  -0.566  -1.334
   11    HA   CYS   3           HA       CYS   3  -5.582   0.529   1.290
   12    HB2  CYS   3           2HB      CYS   3  -7.771   0.929   0.076
   13    HB3  CYS   3           1HB      CYS   3  -8.169  -0.752   0.414
   14    H    SER   4           H        SER   4  -6.266  -2.598  -0.207
   15    HA   SER   4           HA       SER   4  -6.293  -4.004   2.281
   16    HB2  SER   4           2HB      SER   4  -7.459  -4.864   0.273
   17    HB3  SER   4           1HB      SER   4  -5.902  -5.101  -0.514
   18    HG   SER   4           HG       SER   4  -6.895  -6.402   1.800
   19    H    ASN   5           H        ASN   5  -4.086  -4.922  -0.334
   20    HA   ASN   5           HA       ASN   5  -1.768  -3.854   0.785
   21    HB2  ASN   5           2HB      ASN   5  -1.840  -5.336   2.608
   22    HB3  ASN   5           1HB      ASN   5  -2.294  -6.705   1.591
   23   HD21  ASN   5          2HD2      ASN   5   1.616  -5.547   1.908
   24   HD22  ASN   5          1HD2      ASN   5   0.329  -4.532   2.464
   25    HA   PRO   6           HA       PRO   6  -0.126  -5.442  -2.965
   26    HB2  PRO   6           2HB      PRO   6  -0.064  -3.170  -4.398
   27    HB3  PRO   6           1HB      PRO   6  -1.507  -4.182  -4.364
   28    HG2  PRO   6           2HG      PRO   6  -1.051  -1.551  -3.148
   29    HG3  PRO   6           1HG      PRO   6  -2.575  -2.375  -3.511
   30    HD2  PRO   6           2HD      PRO   6  -1.131  -2.234  -0.986
   31    HD3  PRO   6           1HD      PRO   6  -2.757  -2.870  -1.302
   32    H    ALA   7           H        ALA   7   1.743  -3.471  -4.048
   33    HA   ALA   7           HA       ALA   7   3.697  -3.507  -1.978
   34    HB1  ALA   7           1HB      ALA   7   4.290  -3.692  -4.337
   35    HB2  ALA   7           2HB      ALA   7   5.137  -2.360  -3.550
   36    HB3  ALA   7           3HB      ALA   7   3.758  -2.031  -4.600
   37    H    CYS   8           H        CYS   8   1.162  -1.367  -2.672
   38    HA   CYS   8           HA       CYS   8   2.235   1.113  -2.003
   39    HB2  CYS   8           2HB      CYS   8  -0.504  -0.072  -1.884
   40    HB3  CYS   8           1HB      CYS   8  -0.209   1.528  -1.237
   41    H    ILE   9           H        ILE   9   1.152  -1.489   0.078
   42    HA   ILE   9           HA       ILE   9   1.221   0.156   2.455
   43    HB   ILE   9           HB       ILE   9   1.460  -2.807   2.689
   44   HG12  ILE   9          2HG1      ILE   9  -0.129  -2.550   0.839
   45   HG13  ILE   9          1HG1      ILE   9  -0.920  -3.145   2.295
   46   HG21  ILE   9          1HG2      ILE   9  -0.128  -2.432   4.522
   47   HG22  ILE   9          2HG2      ILE   9  -0.201  -0.723   4.098
   48   HG23  ILE   9          3HG2      ILE   9   1.311  -1.426   4.674
   49   HD11  ILE   9          3HD1      ILE   9  -1.012  -0.337   1.235
   50   HD12  ILE   9          1HD1      ILE   9  -1.755  -0.882   2.738
   51   HD13  ILE   9          2HD1      ILE   9  -2.312  -1.527   1.194
   52    H    LEU  10           H        LEU  10   3.344  -2.033   0.758
   53    HA   LEU  10           HA       LEU  10   5.252  -2.427   2.801
   54    HB2  LEU  10           2HB      LEU  10   4.887  -3.776   0.668
   55    HB3  LEU  10           1HB      LEU  10   5.776  -2.524  -0.167
   56    HG   LEU  10           HG       LEU  10   7.077  -4.603   0.414
   57   HD11  LEU  10          1HD1      LEU  10   9.091  -3.419   1.077
   58   HD12  LEU  10          2HD1      LEU  10   8.127  -2.019   1.547
   59   HD13  LEU  10          3HD1      LEU  10   8.199  -2.512  -0.144
   60   HD21  LEU  10          3HD2      LEU  10   7.875  -4.879   2.682
   61   HD22  LEU  10          1HD2      LEU  10   6.115  -4.958   2.639
   62   HD23  LEU  10          2HD2      LEU  10   6.917  -3.496   3.211
   63    H    ASN  11           H        ASN  11   5.091  -0.123   0.105
   64    HA   ASN  11           HA       ASN  11   7.529   1.166   1.113
   65    HB2  ASN  11           2HB      ASN  11   6.068   1.534  -1.513
   66    HB3  ASN  11           1HB      ASN  11   7.580   2.326  -1.066
   67   HD21  ASN  11          2HD2      ASN  11   7.526  -1.503  -2.380
   68   HD22  ASN  11          1HD2      ASN  11   6.075  -0.605  -2.099
   69    H    ASN  12           H        ASN  12   4.236   1.445   1.188
   70    HA   ASN  12           HA       ASN  12   2.710   2.966   1.815
   71    HB2  ASN  12           2HB      ASN  12   5.025   4.315   3.202
   72    HB3  ASN  12           1HB      ASN  12   3.318   4.517   3.575
   73   HD21  ASN  12          2HD2      ASN  12   3.024   1.462   5.310
   74   HD22  ASN  12          1HD2      ASN  12   2.165   2.661   4.410
   75    HA   PRO  13           HA       PRO  13   4.073   6.384  -1.180
   76    HB2  PRO  13           2HB      PRO  13   2.864   5.536  -3.445
   77    HB3  PRO  13           1HB      PRO  13   4.522   5.112  -3.045
   78    HG2  PRO  13           2HG      PRO  13   2.040   3.496  -2.711
   79    HG3  PRO  13           1HG      PRO  13   3.628   2.993  -3.322
   80    HD2  PRO  13           2HD      PRO  13   2.814   2.504  -0.783
   81    HD3  PRO  13           1HD      PRO  13   4.514   2.782  -1.211
   82    H    ASN  14           H        ASN  14   1.156   4.410  -1.055
   83    HA   ASN  14           HA       ASN  14  -0.461   6.855  -1.231
   84    HB2  ASN  14           2HB      ASN  14  -0.509   5.532  -3.333
   85    HB3  ASN  14           1HB      ASN  14  -1.116   4.151  -2.430
   86   HD21  ASN  14          2HD2      ASN  14  -4.418   5.215  -2.439
   87   HD22  ASN  14          1HD2      ASN  14  -3.254   4.040  -1.938
   88    H    GLN  15           H        GLN  15  -1.143   3.416  -0.633
   89    HA   GLN  15           HA       GLN  15  -2.550   2.399   0.843
   90    HB2  GLN  15           2HB      GLN  15  -0.544   3.714   2.271
   91    HB3  GLN  15           1HB      GLN  15  -2.025   4.103   3.138
   92    HG2  GLN  15           2HG      GLN  15  -1.151   1.317   2.417
   93    HG3  GLN  15           1HG      GLN  15  -0.835   2.090   3.966
   94   HE21  GLN  15          2HE2      GLN  15  -4.519   0.628   3.074
   95   HE22  GLN  15          1HE2      GLN  15  -3.311   0.835   1.843
   96    H    CYS  16           H        CYS  16  -4.309   2.930   2.693
   97    HA   CYS  16           HA       CYS  16  -5.924   5.124   1.600
   98    HB2  CYS  16           2HB      CYS  16  -7.896   3.792   2.438
   99    HB3  CYS  16           1HB      CYS  16  -7.012   3.061   1.109
  Start of MODEL   20
    1    H1   GLY   1           1HT      GLY   1  -4.764   0.349  -6.058
    2    H2   GLY   1           2HT      GLY   1  -5.912   1.123  -5.087
    3    H3   GLY   1           3HT      GLY   1  -6.369   0.460  -6.570
    4    HA2  GLY   1           1HA      GLY   1  -7.076  -0.927  -4.711
    5    HA3  GLY   1           2HA      GLY   1  -5.970  -1.752  -5.800
    6    H    CYS   2           H        CYS   2  -4.656   0.689  -3.714
    7    HA   CYS   2           HA       CYS   2  -2.888  -1.315  -2.678
    8    HB2  CYS   2           2HB      CYS   2  -2.997   1.639  -2.082
    9    HB3  CYS   2           1HB      CYS   2  -1.707   0.538  -1.607
   10    H    CYS   3           H        CYS   3  -5.822   0.039  -1.578
   11    HA   CYS   3           HA       CYS   3  -5.312  -0.050   1.219
   12    HB2  CYS   3           2HB      CYS   3  -7.153   1.246   0.056
   13    HB3  CYS   3           1HB      CYS   3  -8.008  -0.281  -0.121
   14    H    SER   4           H        SER   4  -5.674  -2.470  -1.053
   15    HA   SER   4           HA       SER   4  -6.684  -4.410   0.896
   16    HB2  SER   4           2HB      SER   4  -7.777  -4.320  -1.332
   17    HB3  SER   4           1HB      SER   4  -6.237  -4.726  -2.084
   18    HG   SER   4           HG       SER   4  -7.978  -6.432  -1.423
   19    H    ASN   5           H        ASN   5  -3.904  -3.101   0.371
   20    HA   ASN   5           HA       ASN   5  -1.705  -3.602   0.461
   21    HB2  ASN   5           2HB      ASN   5  -2.281  -4.552   2.615
   22    HB3  ASN   5           1HB      ASN   5  -2.743  -6.077   1.861
   23   HD21  ASN   5          2HD2      ASN   5   1.163  -5.184   2.550
   24   HD22  ASN   5          1HD2      ASN   5  -0.084  -4.004   2.736
   25    HA   PRO   6           HA       PRO   6  -1.365  -6.456  -3.083
   26    HB2  PRO   6           2HB      PRO   6  -0.616  -4.385  -4.836
   27    HB3  PRO   6           1HB      PRO   6  -2.181  -5.191  -4.780
   28    HG2  PRO   6           2HG      PRO   6  -1.640  -2.505  -4.125
   29    HG3  PRO   6           1HG      PRO   6  -3.149  -3.383  -3.843
   30    HD2  PRO   6           2HD      PRO   6  -0.944  -2.753  -1.955
   31    HD3  PRO   6           1HD      PRO   6  -2.677  -2.975  -1.637
   32    H    ALA   7           H        ALA   7   0.614  -3.530  -3.396
   33    HA   ALA   7           HA       ALA   7   2.830  -4.683  -1.978
   34    HB1  ALA   7           1HB      ALA   7   4.411  -4.592  -3.828
   35    HB2  ALA   7           2HB      ALA   7   3.110  -4.143  -4.930
   36    HB3  ALA   7           3HB      ALA   7   3.109  -5.731  -4.162
   37    H    CYS   8           H        CYS   8   1.064  -2.342  -1.909
   38    HA   CYS   8           HA       CYS   8   2.819  -0.114  -2.606
   39    HB2  CYS   8           2HB      CYS   8   0.024  -0.115  -1.459
   40    HB3  CYS   8           1HB      CYS   8   0.881   1.272  -2.106
   41    H    ILE   9           H        ILE   9   1.025  -1.339   0.170
   42    HA   ILE   9           HA       ILE   9   1.602   0.548   2.082
   43    HB   ILE   9           HB       ILE   9   1.588  -2.343   2.872
   44   HG12  ILE   9          2HG1      ILE   9  -0.041  -2.208   1.087
   45   HG13  ILE   9          1HG1      ILE   9  -0.868  -2.368   2.634
   46   HG21  ILE   9          1HG2      ILE   9   0.259   0.114   4.008
   47   HG22  ILE   9          2HG2      ILE   9   1.727  -0.647   4.616
   48   HG23  ILE   9          3HG2      ILE   9   0.190  -1.508   4.699
   49   HD11  ILE   9          3HD1      ILE   9  -1.368   0.001   2.634
   50   HD12  ILE   9          1HD1      ILE   9  -1.968  -0.761   1.163
   51   HD13  ILE   9          2HD1      ILE   9  -0.492   0.203   1.117
   52    H    LEU  10           H        LEU  10   3.583  -2.168   1.062
   53    HA   LEU  10           HA       LEU  10   5.526  -2.176   3.043
   54    HB2  LEU  10           2HB      LEU  10   5.352  -3.813   1.192
   55    HB3  LEU  10           1HB      LEU  10   5.965  -2.599   0.086
   56    HG   LEU  10           HG       LEU  10   8.088  -2.546   1.373
   57   HD11  LEU  10          1HD1      LEU  10   6.850  -4.858   2.861
   58   HD12  LEU  10          2HD1      LEU  10   7.258  -3.280   3.532
   59   HD13  LEU  10          3HD1      LEU  10   8.536  -4.356   2.970
   60   HD21  LEU  10          3HD2      LEU  10   7.262  -5.261   0.355
   61   HD22  LEU  10          1HD2      LEU  10   8.919  -4.699   0.572
   62   HD23  LEU  10          2HD2      LEU  10   7.875  -3.929  -0.623
   63    H    ASN  11           H        ASN  11   5.177  -0.027   0.292
   64    HA   ASN  11           HA       ASN  11   7.613   1.437   1.003
   65    HB2  ASN  11           2HB      ASN  11   7.308   0.909  -1.355
   66    HB3  ASN  11           1HB      ASN  11   5.720   1.664  -1.350
   67   HD21  ASN  11          2HD2      ASN  11   7.265   4.439  -2.717
   68   HD22  ASN  11          1HD2      ASN  11   6.166   3.116  -2.919
   69    H    ASN  12           H        ASN  12   4.191   1.591   1.128
   70    HA   ASN  12           HA       ASN  12   2.673   2.997   2.038
   71    HB2  ASN  12           2HB      ASN  12   5.093   4.288   3.311
   72    HB3  ASN  12           1HB      ASN  12   3.430   4.695   3.706
   73   HD21  ASN  12          2HD2      ASN  12   2.861   1.825   5.650
   74   HD22  ASN  12          1HD2      ASN  12   2.129   3.108   4.746
   75    HA   PRO  13           HA       PRO  13   3.882   6.282  -1.147
   76    HB2  PRO  13           2HB      PRO  13   1.937   5.070  -2.948
   77    HB3  PRO  13           1HB      PRO  13   3.648   5.395  -3.226
   78    HG2  PRO  13           2HG      PRO  13   2.662   2.888  -2.982
   79    HG3  PRO  13           1HG      PRO  13   4.300   3.329  -2.464
   80    HD2  PRO  13           2HD      PRO  13   1.817   2.999  -0.815
   81    HD3  PRO  13           1HD      PRO  13   3.474   2.441  -0.482
   82    H    ASN  14           H        ASN  14   0.678   4.771  -1.157
   83    HA   ASN  14           HA       ASN  14  -0.489   7.386  -0.542
   84    HB2  ASN  14           2HB      ASN  14  -2.592   6.479  -1.528
   85    HB3  ASN  14           1HB      ASN  14  -1.267   6.582  -2.677
   86   HD21  ASN  14          2HD2      ASN  14  -3.124   3.347  -2.967
   87   HD22  ASN  14          1HD2      ASN  14  -3.631   4.998  -2.869
   88    H    GLN  15           H        GLN  15  -1.522   4.000  -0.116
   89    HA   GLN  15           HA       GLN  15  -2.404   2.862   1.617
   90    HB2  GLN  15           2HB      GLN  15  -0.185   4.060   2.646
   91    HB3  GLN  15           1HB      GLN  15  -1.427   4.649   3.746
   92    HG2  GLN  15           2HG      GLN  15  -0.675   1.800   3.156
   93    HG3  GLN  15           1HG      GLN  15  -0.483   2.676   4.671
   94   HE21  GLN  15          2HE2      GLN  15  -4.006   0.920   3.686
   95   HE22  GLN  15          1HE2      GLN  15  -2.712   1.071   2.547
   96    H    CYS  16           H        CYS  16  -4.364   2.787   2.542
   97    HA   CYS  16           HA       CYS  16  -5.965   5.192   2.420
   98    HB2  CYS  16           2HB      CYS  16  -7.846   3.591   2.910
   99    HB3  CYS  16           1HB      CYS  16  -6.940   3.237   1.449