*HEADER    HYDROLASE                               12-JUL-09   2KLZ              
*TITLE     SOLUTION STRUCTURE OF THE TANDEM UIM DOMAIN OF ATAXIN-3 COMPLEXED WITH
*TITLE    2 UBIQUITIN                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ATAXIN-3;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UIM1 AND UIM 2 DOMAIN, UNP RESIDUES 222-263;               
*COMPND   5 SYNONYM: MACHADO-JOSEPH DISEASE PROTEIN 1, SPINOCEREBELLAR ATAXIA    
*COMPND   6 TYPE 3 PROTEIN;                                                      
*COMPND   7 EC: 3.4.22.-;                                                        
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PGBTNH                                     
*KEYWDS    UIM, ATAXIN-3, UBIQUITIN-BINDING, HYDROLASE, NEURODEGENERATION,       
*KEYWDS   2 NUCLEUS, PHOSPHOPROTEIN, SPINOCEREBELLAR ATAXIA, TRANSCRIPTION,      
*KEYWDS   3 TRANSCRIPTION REGULATION                                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    C.ZHOU, A.SONG, D.LIN, H.HU                                           
*REVDAT   1   28-JUL-10 2KLZ    0                                                


assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HG2) 2.598 0.844 0.844 weight 1.000 ! spec=C13NOESY, no=1, id=210, vol=8.670000e+07
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   35 and name   HA) 2.482 0.770 0.770 weight 1.000 ! spec=C13NOESY, no=2, id=211, vol=1.140000e+08
assign (segid "    " and resid   32 and name  HG2) (segid "    " and resid   32 and name  HD2) 2.513 0.789 0.789 weight 1.000 ! spec=C13NOESY, no=3, id=212, vol=1.060000e+08
assign (segid "    " and resid   32 and name  HG2) (segid "    " and resid   32 and name   HA) 2.583 0.834 0.834 weight 1.000 ! spec=C13NOESY, no=5, id=214, vol=8.980000e+07
assign (segid "    " and resid   32 and name  HG1) (segid "    " and resid   32 and name   HA) 2.600 0.845 0.845 weight 1.000 ! spec=C13NOESY, no=6, id=215, vol=8.640000e+07
assign (segid "    " and resid   34 and name   HB) (segid "    " and resid   31 and name   HA) 2.916 1.063 1.063 weight 1.000 ! spec=C13NOESY, no=7, id=216, vol=4.340000e+07
assign (segid "    " and resid   34 and name   HB) (segid "    " and resid   34 and name HG12) 2.744 0.941 0.941 weight 1.000 ! spec=C13NOESY, no=8, id=217, vol=6.250000e+07
assign (segid "    " and resid   34 and name   HB) (segid "    " and resid   34 and name HG22) 3.011 1.133 1.133 weight 1.000 ! spec=C13NOESY, no=9, id=218, vol=3.580000e+07
assign (segid "    " and resid   21 and name   HB) (segid "    " and resid   21 and name HG12) 2.931 1.074 1.074 weight 1.000 ! spec=C13NOESY, no=11, id=220, vol=4.210000e+07
assign (segid "    " and resid   21 and name   HB) (segid "    " and resid   21 and name HG11) 2.704 0.914 0.914 weight 1.000 ! spec=C13NOESY, no=12, id=221, vol=6.830000e+07
assign (segid "    " and resid   21 and name   HB) (segid "    " and resid   21 and name HD12) 2.700 0.911 0.911 weight 1.000 ! spec=C13NOESY, no=13, id=222, vol=6.890000e+07
assign (segid "    " and resid   21 and name   HB) (segid "    " and resid   21 and name   HA) 3.066 1.175 1.175 weight 1.000 ! spec=C13NOESY, no=15, id=224, vol=3.210000e+07
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   30 and name HD12) 3.682 1.695 1.695 weight 1.000 ! spec=C13NOESY, no=16, id=225, vol=1.070000e+07
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name HG11) 2.313 0.669 0.669 weight 1.000 ! spec=C13NOESY, no=17, id=226, vol=1.740000e+08
assign (segid "    " and resid   21 and name HG11) (segid "    " and resid   21 and name HD12) 2.634 0.867 0.867 weight 1.000 ! spec=C13NOESY, no=19, id=228, vol=7.980000e+07
assign (segid "    " and resid   21 and name HG11) (segid "    " and resid   21 and name HG12) 2.332 0.680 0.680 weight 1.000 ! spec=C13NOESY, no=21, id=230, vol=1.660000e+08
assign (segid "    " and resid   34 and name HG12) (segid "    " and resid   34 and name HD12) 2.742 0.940 0.940 weight 1.000 ! spec=C13NOESY, no=22, id=231, vol=6.270000e+07
assign (segid "    " and resid   34 and name HG12) (segid "    " and resid   34 and name HG11) 2.582 0.833 0.833 weight 1.000 ! spec=C13NOESY, no=23, id=232, vol=9.010000e+07
assign (segid "    " and resid   34 and name HG11) (segid "    " and resid   34 and name HD12) 1.981 0.491 0.491 weight 1.000 ! spec=C13NOESY, no=24, id=233, vol=4.410000e+08
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name  HB2) 2.127 0.566 0.566 weight 1.000 ! spec=C13NOESY, no=26, id=235, vol=2.880000e+08
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name HD12) 2.257 0.636 0.636 weight 1.000 ! spec=C13NOESY, no=27, id=236, vol=2.020000e+08
assign (segid "    " and resid   14 and name  HB2) (segid "    " and resid   14 and name  HB1) 2.678 0.896 0.896 weight 1.000 ! spec=C13NOESY, no=29, id=238, vol=7.230000e+07
assign (segid "    " and resid   10 and name  HB1) (segid "    " and resid   10 and name   HA) 2.371 0.703 0.703 weight 1.000 ! spec=C13NOESY, no=31, id=240, vol=1.500000e+08
assign (segid "    " and resid   34 and name   HB) (segid "    " and resid   31 and name  HD1) 3.807 1.812 1.812 weight 1.000 ! spec=C13NOESY, no=32, id=241, vol=8.760000e+06
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   33 and name  HB2) 5.896 4.345 4.345 weight 1.000 ! spec=C13NOESY, no=35, id=244, vol=6.350000e+05
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   14 and name HD22) 3.043 1.157 1.157 weight 1.000 ! spec=C13NOESY, no=37, id=246, vol=3.360000e+07
assign (segid "    " and resid   14 and name HD22) (segid "    " and resid   14 and name   HA) 2.432 0.739 0.739 weight 1.000 ! spec=C13NOESY, no=40, id=247, vol=1.290000e+08
assign (segid "    " and resid   14 and name HD22) (segid "    " and resid   14 and name  HB1) 2.707 0.916 0.916 weight 1.000 ! spec=C13NOESY, no=44, id=250, vol=6.780000e+07
assign (segid "    " and resid   14 and name HD22) (segid "    " and resid   14 and name  HB2) 2.823 0.996 0.996 weight 1.000 ! spec=C13NOESY, no=45, id=251, vol=5.270000e+07
assign (segid "    " and resid   34 and name HG22) (segid "    " and resid   15 and name   HA) 3.759 1.766 1.766 weight 1.000 ! spec=C13NOESY, no=46, id=252, vol=9.460000e+06
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   34 and name HG22) 2.605 0.848 0.848 weight 1.000 ! spec=C13NOESY, no=47, id=253, vol=8.530000e+07
assign (segid "    " and resid   34 and name HG22) (segid "    " and resid   34 and name HG12) 2.497 0.779 0.779 weight 1.000 ! spec=C13NOESY, no=49, id=255, vol=1.100000e+08
assign (segid "    " and resid   10 and name HD12) (segid "    " and resid   10 and name   HA) 2.957 1.093 1.093 weight 1.000 ! spec=C13NOESY, no=50, id=256, vol=3.990000e+07
assign (segid "    " and resid   34 and name HD12) (segid "    " and resid   34 and name   HA) 2.472 0.764 0.764 weight 1.000 ! spec=C13NOESY, no=51, id=257, vol=1.170000e+08
assign (segid "    " and resid   34 and name HD12) (segid "    " and resid   31 and name   HA) 3.038 1.154 1.154 weight 1.000 ! spec=C13NOESY, no=52, id=258, vol=3.390000e+07
assign (segid "    " and resid   34 and name   HB) (segid "    " and resid   34 and name HD12) 2.555 0.816 0.816 weight 1.000 ! spec=C13NOESY, no=54, id=259, vol=9.590000e+07
assign (segid "    " and resid   21 and name HG22) (segid "    " and resid   21 and name   HA) 3.044 1.158 1.158 weight 1.000 ! spec=C13NOESY, no=56, id=261, vol=3.350000e+07
assign (segid "    " and resid   21 and name HG22) (segid "    " and resid   22 and name   HA) 3.286 1.349 1.349 weight 1.000 ! spec=C13NOESY, no=57, id=262, vol=2.120000e+07
assign (segid "    " and resid   21 and name HG22) (segid "    " and resid   23 and name  HB2) 2.320 0.673 0.673 weight 1.000 ! spec=C13NOESY, no=58, id=263, vol=1.710000e+08
assign (segid "    " and resid   21 and name HG22) (segid "    " and resid   23 and name  HB1) 2.118 0.561 0.561 weight 1.000 ! spec=C13NOESY, no=59, id=264, vol=2.950000e+08
assign (segid "    " and resid   21 and name   HB) (segid "    " and resid   21 and name HG22) 2.416 0.730 0.730 weight 1.000 ! spec=C13NOESY, no=60, id=265, vol=1.340000e+08
assign (segid "    " and resid    3 and name HD22) (segid "    " and resid    3 and name   HG) 2.775 0.963 0.963 weight 1.000 ! spec=C13NOESY, no=65, id=269, vol=5.840000e+07
assign (segid "    " and resid   34 and name HG11) (segid "    " and resid   34 and name   HA) 3.221 1.297 1.297 weight 1.000 ! spec=C13NOESY, no=66, id=270, vol=2.390000e+07
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   34 and name HG12) 3.152 1.242 1.242 weight 1.000 ! spec=C13NOESY, no=67, id=271, vol=2.720000e+07
assign (segid "    " and resid   34 and name HG11) (segid "    " and resid   14 and name  HB1) 3.500 1.532 1.532 weight 1.000 ! spec=C13NOESY, no=68, id=272, vol=1.450000e+07
assign (segid "    " and resid   34 and name HG12) (segid "    " and resid   14 and name  HB1) 3.239 1.311 1.311 weight 1.000 ! spec=C13NOESY, no=69, id=273, vol=2.310000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   34 and name   HA) 3.569 1.592 1.592 weight 1.000 ! spec=C13NOESY, no=70, id=274, vol=1.290000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name   HG) 5.356 3.585 3.585 weight 1.000 ! spec=C13NOESY, no=71, id=275, vol=1.130000e+06
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   14 and name  HB1) 3.201 1.281 1.281 weight 1.000 ! spec=C13NOESY, no=72, id=276, vol=2.480000e+07
assign (segid "    " and resid   14 and name   HA) (segid "    " and resid   13 and name  HB2) 4.815 2.898 2.898 weight 1.000 ! spec=C13NOESY, no=73, id=277, vol=2.140000e+06
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   10 and name HD22) 3.174 1.259 1.259 weight 1.000 ! spec=C13NOESY, no=77, id=280, vol=2.610000e+07
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   14 and name HD22) 3.318 1.376 1.376 weight 1.000 ! spec=C13NOESY, no=78, id=281, vol=2.000000e+07
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name HG12) 3.547 1.572 1.572 weight 1.000 ! spec=C13NOESY, no=83, id=286, vol=1.340000e+07
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   23 and name  HB1) 3.886 1.887 1.887 weight 1.000 ! spec=C13NOESY, no=84, id=287, vol=7.750000e+06
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   23 and name  HB2) 3.473 1.508 1.508 weight 1.000 ! spec=C13NOESY, no=85, id=288, vol=1.520000e+07
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   20 and name  HG2) 4.324 2.337 2.337 weight 1.000 ! spec=C13NOESY, no=86, id=289, vol=4.080000e+06
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   22 and name  HB2) 4.428 2.450 2.450 weight 1.000 ! spec=C13NOESY, no=87, id=290, vol=3.540000e+06
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   31 and name  HD2) 4.146 2.149 2.149 weight 1.000 ! spec=C13NOESY, no=88, id=291, vol=5.250000e+06
assign (segid "    " and resid   10 and name HD22) (segid "    " and resid   10 and name   HA) 2.181 0.594 0.594 weight 1.000 ! spec=C13NOESY, no=89, id=292, vol=2.480000e+08
assign (segid "    " and resid   10 and name HD22) (segid "    " and resid   10 and name  HB1) 2.732 0.933 0.933 weight 1.000 ! spec=C13NOESY, no=90, id=293, vol=6.420000e+07
assign (segid "    " and resid   10 and name  HB2) (segid "    " and resid   10 and name HD22) 2.022 0.511 0.511 weight 1.000 ! spec=C13NOESY, no=91, id=294, vol=3.900000e+08
assign (segid "    " and resid    3 and name HD22) (segid "    " and resid    3 and name   HA) 3.005 1.129 1.129 weight 1.000 ! spec=C13NOESY, no=94, id=297, vol=3.620000e+07
assign (segid "    " and resid    3 and name   HA) (segid "    " and resid    3 and name   HG) 2.651 0.878 0.878 weight 1.000 ! spec=C13NOESY, no=95, id=298, vol=7.690000e+07
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   13 and name  HB2) 2.274 0.646 0.646 weight 1.000 ! spec=C13NOESY, no=96, id=299, vol=1.930000e+08
assign (segid "    " and resid   10 and name   HA) (segid "    " and resid   10 and name  HB2) 2.865 1.026 1.026 weight 1.000 ! spec=C13NOESY, no=100, id=302, vol=4.820000e+07
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HG2) 2.788 0.972 0.972 weight 1.000 ! spec=C13NOESY, no=101, id=303, vol=5.680000e+07
assign (segid "    " and resid   11 and name   HA) (segid "    " and resid   11 and name  HB2) 2.501 0.782 0.782 weight 1.000 ! spec=C13NOESY, no=102, id=304, vol=1.090000e+08
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HG1) 2.561 0.820 0.820 weight 1.000 ! spec=C13NOESY, no=103, id=305, vol=9.450000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HG2) 2.791 0.974 0.974 weight 1.000 ! spec=C13NOESY, no=104, id=306, vol=5.640000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HB2) 2.817 0.992 0.992 weight 1.000 ! spec=C13NOESY, no=105, id=307, vol=5.340000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   12 and name  HD2) 2.589 0.838 0.838 weight 1.000 ! spec=C13NOESY, no=106, id=308, vol=8.850000e+07
assign (segid "    " and resid   12 and name   HA) (segid "    " and resid   15 and name  HB2) 2.567 0.824 0.824 weight 1.000 ! spec=C13NOESY, no=107, id=309, vol=9.320000e+07
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    8 and name   HA) 2.763 0.954 0.954 weight 1.000 ! spec=C13NOESY, no=108, id=310, vol=5.990000e+07
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid    8 and name  HG2) 2.419 0.732 0.732 weight 1.000 ! spec=C13NOESY, no=109, id=311, vol=1.330000e+08
assign (segid "    " and resid    8 and name   HA) (segid "    " and resid   11 and name  HG2) 2.904 1.054 1.054 weight 1.000 ! spec=C13NOESY, no=110, id=312, vol=4.450000e+07
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name   HA) 2.779 0.965 0.965 weight 1.000 ! spec=C13NOESY, no=111, id=313, vol=5.790000e+07
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name HD22) 2.779 0.965 0.965 weight 1.000 ! spec=C13NOESY, no=112, id=314, vol=5.790000e+07
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid    9 and name  HB1) 2.551 0.814 0.814 weight 1.000 ! spec=C13NOESY, no=113, id=315, vol=9.670000e+07
assign (segid "    " and resid   13 and name  HB2) (segid "    " and resid   13 and name   HA) 2.759 0.952 0.952 weight 1.000 ! spec=C13NOESY, no=114, id=316, vol=6.040000e+07
assign (segid "    " and resid   15 and name  HB2) (segid "    " and resid   15 and name   HA) 2.703 0.913 0.913 weight 1.000 ! spec=C13NOESY, no=115, id=317, vol=6.840000e+07
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   18 and name  HB2) 2.118 0.561 0.561 weight 1.000 ! spec=C13NOESY, no=116, id=318, vol=2.950000e+08
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   18 and name  HD2) 3.122 1.218 1.218 weight 1.000 ! spec=C13NOESY, no=117, id=319, vol=2.880000e+07
assign (segid "    " and resid   16 and name HD22) (segid "    " and resid   16 and name   HA) 2.790 0.973 0.973 weight 1.000 ! spec=C13NOESY, no=119, id=320, vol=5.650000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB1) 2.910 1.059 1.059 weight 1.000 ! spec=C13NOESY, no=120, id=321, vol=4.390000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB2) 2.947 1.086 1.086 weight 1.000 ! spec=C13NOESY, no=121, id=322, vol=4.070000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   19 and name  HB2) 3.777 1.784 1.784 weight 1.000 ! spec=C13NOESY, no=122, id=323, vol=9.180000e+06
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   19 and name  HG2) 3.061 1.171 1.171 weight 1.000 ! spec=C13NOESY, no=123, id=324, vol=3.240000e+07
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   12 and name  HD2) 3.326 1.383 1.383 weight 1.000 ! spec=C13NOESY, no=124, id=325, vol=1.970000e+07
assign (segid "    " and resid    7 and name   HA) (segid "    " and resid    7 and name  HG2) 1.944 0.472 0.472 weight 1.000 ! spec=C13NOESY, no=125, id=326, vol=4.940000e+08
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HB2) 2.820 0.994 0.994 weight 1.000 ! spec=C13NOESY, no=126, id=327, vol=5.300000e+07
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   26 and name   HA) 2.989 1.117 1.117 weight 1.000 ! spec=C13NOESY, no=128, id=329, vol=3.740000e+07
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HA) 2.666 0.888 0.888 weight 1.000 ! spec=C13NOESY, no=129, id=330, vol=7.430000e+07
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB2) 2.591 0.839 0.839 weight 1.000 ! spec=C13NOESY, no=130, id=331, vol=8.820000e+07
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name  HG1) 3.054 1.165 1.165 weight 1.000 ! spec=C13NOESY, no=134, id=334, vol=3.290000e+07
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name  HG2) 4.686 2.744 2.744 weight 1.000 ! spec=C13NOESY, no=136, id=336, vol=2.520000e+06
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name  HD1) 3.199 1.279 1.279 weight 1.000 ! spec=C13NOESY, no=137, id=337, vol=2.490000e+07
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name  HD2) 2.909 1.058 1.058 weight 1.000 ! spec=C13NOESY, no=138, id=338, vol=4.400000e+07
assign (segid "    " and resid   41 and name  HB2) (segid "    " and resid   41 and name   HA) 2.197 0.603 0.603 weight 1.000 ! spec=C13NOESY, no=140, id=339, vol=2.370000e+08
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HG2) 2.802 0.981 0.981 weight 1.000 ! spec=C13NOESY, no=141, id=340, vol=5.510000e+07
assign (segid "    " and resid   36 and name  HB2) (segid "    " and resid   36 and name  HB1) 2.410 0.726 0.726 weight 1.000 ! spec=C13NOESY, no=146, id=345, vol=1.360000e+08
assign (segid "    " and resid   16 and name   HG) (segid "    " and resid   16 and name HD22) 2.237 0.625 0.625 weight 1.000 ! spec=C13NOESY, no=148, id=347, vol=2.130000e+08
assign (segid "    " and resid   43 and name  HG2) (segid "    " and resid   43 and name  HB2) 2.343 0.686 0.686 weight 1.000 ! spec=C13NOESY, no=149, id=348, vol=1.610000e+08
assign (segid "    " and resid   16 and name   HG) (segid "    " and resid   16 and name  HB1) 2.290 0.655 0.655 weight 1.000 ! spec=C13NOESY, no=150, id=349, vol=1.850000e+08
assign (segid "    " and resid   10 and name   HG) (segid "    " and resid   10 and name   HA) 2.947 1.086 1.086 weight 1.000 ! spec=C13NOESY, no=152, id=351, vol=4.070000e+07
assign (segid "    " and resid   43 and name  HG2) (segid "    " and resid   43 and name  HD2) 2.071 0.536 0.536 weight 1.000 ! spec=C13NOESY, no=153, id=352, vol=3.380000e+08
assign (segid "    " and resid   16 and name   HG) (segid "    " and resid   19 and name  HG2) 3.127 1.223 1.223 weight 1.000 ! spec=C13NOESY, no=154, id=353, vol=2.850000e+07
assign (segid "    " and resid   10 and name HD12) (segid "    " and resid   10 and name  HB2) 2.831 1.002 1.002 weight 1.000 ! spec=C13NOESY, no=155, id=354, vol=5.180000e+07
assign (segid "    " and resid   21 and name HG12) (segid "    " and resid   21 and name HD12) 2.660 0.885 0.885 weight 1.000 ! spec=C13NOESY, no=157, id=356, vol=7.520000e+07
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name HD12) 2.249 0.632 0.632 weight 1.000 ! spec=C13NOESY, no=160, id=359, vol=2.060000e+08
assign (segid "    " and resid   44 and name  HB2) (segid "    " and resid   44 and name   HA) 3.049 1.162 1.162 weight 1.000 ! spec=C13NOESY, no=161, id=360, vol=3.320000e+07
assign (segid "    " and resid   44 and name  HB2) (segid "    " and resid   43 and name  HD2) 3.747 1.755 1.755 weight 1.000 ! spec=C13NOESY, no=162, id=361, vol=9.640000e+06
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   29 and name   HA) 2.792 0.974 0.974 weight 1.000 ! spec=C13NOESY, no=163, id=362, vol=5.630000e+07
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   32 and name   HA) 2.001 0.501 0.501 weight 1.000 ! spec=C13NOESY, no=164, id=363, vol=4.150000e+08
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HB2) 2.657 0.882 0.882 weight 1.000 ! spec=C13NOESY, no=165, id=364, vol=7.580000e+07
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name  HB2) 2.029 0.515 0.515 weight 1.000 ! spec=C13NOESY, no=166, id=365, vol=3.820000e+08
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   32 and name  HG1) 2.095 0.549 0.549 weight 1.000 ! spec=C13NOESY, no=167, id=366, vol=3.150000e+08
assign (segid "    " and resid   31 and name  HB2) (segid "    " and resid   31 and name  HD1) 2.284 0.652 0.652 weight 1.000 ! spec=C13NOESY, no=168, id=367, vol=1.880000e+08
assign (segid "    " and resid    8 and name  HB2) (segid "    " and resid    9 and name   HA) 3.320 1.378 1.378 weight 1.000 ! spec=C13NOESY, no=169, id=368, vol=1.990000e+07
assign (segid "    " and resid    7 and name  HB2) (segid "    " and resid    4 and name   HA) 1.540 0.296 0.296 weight 1.000 ! spec=C13NOESY, no=170, id=369, vol=2.000000e+09
assign (segid "    " and resid   42 and name   HA) (segid "    " and resid   42 and name  HB2) 2.669 0.891 0.891 weight 1.000 ! spec=C13NOESY, no=171, id=370, vol=7.370000e+07
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name  HG2) 2.346 0.688 0.688 weight 1.000 ! spec=C13NOESY, no=172, id=371, vol=1.600000e+08
assign (segid "    " and resid   35 and name  HB2) (segid "    " and resid   32 and name  HG1) 3.207 1.286 1.286 weight 1.000 ! spec=C13NOESY, no=173, id=372, vol=2.450000e+07
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HG2) 2.788 0.972 0.972 weight 1.000 ! spec=C13NOESY, no=174, id=373, vol=5.680000e+07
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   39 and name  HG2) 6.511 5.299 5.299 weight 1.000 ! spec=C13NOESY, no=175, id=374, vol=3.500000e+05
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   39 and name  HB2) 2.309 0.666 0.666 weight 1.000 ! spec=C13NOESY, no=176, id=375, vol=1.760000e+08
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   37 and name  HB1) 2.501 0.782 0.782 weight 1.000 ! spec=C13NOESY, no=177, id=376, vol=1.090000e+08
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   37 and name  HB2) 2.521 0.794 0.794 weight 1.000 ! spec=C13NOESY, no=178, id=377, vol=1.040000e+08
assign (segid "    " and resid   36 and name   HG) (segid "    " and resid   36 and name  HB1) 2.099 0.551 0.551 weight 1.000 ! spec=C13NOESY, no=179, id=378, vol=3.120000e+08
assign (segid "    " and resid   14 and name HD22) (segid "    " and resid   14 and name   HG) 1.990 0.495 0.495 weight 1.000 ! spec=C13NOESY, no=180, id=379, vol=4.290000e+08
assign (segid "    " and resid   10 and name   HG) (segid "    " and resid   10 and name HD22) 2.336 0.682 0.682 weight 1.000 ! spec=C13NOESY, no=181, id=380, vol=1.640000e+08
assign (segid "    " and resid   36 and name  HB1) (segid "    " and resid   36 and name   HA) 2.890 1.044 1.044 weight 1.000 ! spec=C13NOESY, no=182, id=381, vol=4.580000e+07
assign (segid "    " and resid   36 and name  HB1) (segid "    " and resid   36 and name HD12) 2.826 0.998 0.998 weight 1.000 ! spec=C13NOESY, no=184, id=383, vol=5.240000e+07
assign (segid "    " and resid   34 and name   HA) (segid "    " and resid   34 and name   HB) 2.644 0.874 0.874 weight 1.000 ! spec=C13NOESY, no=185, id=384, vol=7.800000e+07
assign (segid "    " and resid   32 and name  HD2) (segid "    " and resid   32 and name   HA) 3.488 1.521 1.521 weight 1.000 ! spec=C13NOESY, no=187, id=385, vol=1.480000e+07
assign (segid "    " and resid   32 and name  HG1) (segid "    " and resid   32 and name  HD2) 1.998 0.499 0.499 weight 1.000 ! spec=C13NOESY, no=188, id=386, vol=4.190000e+08
assign (segid "    " and resid   31 and name  HD2) (segid "    " and resid   31 and name  HB2) 2.351 0.691 0.691 weight 1.000 ! spec=C13NOESY, no=189, id=387, vol=1.580000e+08
assign (segid "    " and resid   12 and name  HD2) (segid "    " and resid   12 and name  HG2) 2.759 0.952 0.952 weight 1.000 ! spec=C13NOESY, no=190, id=388, vol=6.040000e+07
assign (segid "    " and resid   32 and name  HD2) (segid "    " and resid   29 and name   HA) 3.071 1.179 1.179 weight 1.000 ! spec=C13NOESY, no=191, id=389, vol=3.180000e+07
assign (segid "    " and resid    5 and name  HG2) (segid "    " and resid    5 and name   HA) 2.382 0.709 0.709 weight 1.000 ! spec=C13NOESY, no=192, id=390, vol=1.460000e+08
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name   HA) 2.110 0.557 0.557 weight 1.000 ! spec=C13NOESY, no=193, id=391, vol=3.020000e+08
assign (segid "    " and resid    9 and name   HA) (segid "    " and resid   12 and name  HB2) 2.382 0.709 0.709 weight 1.000 ! spec=C13NOESY, no=195, id=393, vol=1.460000e+08
assign (segid "    " and resid    9 and name  HB2) (segid "    " and resid    9 and name   HA) 2.169 0.588 0.588 weight 1.000 ! spec=C13NOESY, no=196, id=394, vol=2.560000e+08
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name  HB2) 2.155 0.580 0.580 weight 1.000 ! spec=N15NOESY, no=1, id=0, vol=2.990000e+08
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name HG12) 3.157 1.246 1.246 weight 1.000 ! spec=N15NOESY, no=2, id=1, vol=3.020000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name   HA) 2.940 1.081 1.081 weight 1.000 ! spec=N15NOESY, no=3, id=2, vol=4.630000e+07
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name   HA) 3.301 1.362 1.362 weight 1.000 ! spec=N15NOESY, no=4, id=3, vol=2.310000e+07
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name   HA) 3.049 1.162 1.162 weight 1.000 ! spec=N15NOESY, no=5, id=4, vol=3.720000e+07
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name  HB1) 3.082 1.187 1.187 weight 1.000 ! spec=N15NOESY, no=6, id=5, vol=3.490000e+07
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HB1) 3.285 1.349 1.349 weight 1.000 ! spec=N15NOESY, no=7, id=6, vol=2.380000e+07
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name HD12) 2.950 1.088 1.088 weight 1.000 ! spec=N15NOESY, no=8, id=7, vol=4.540000e+07
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name   HA) 2.848 1.014 1.014 weight 1.000 ! spec=N15NOESY, no=9, id=8, vol=5.600000e+07
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name  HB2) 3.318 1.376 1.376 weight 1.000 ! spec=N15NOESY, no=10, id=9, vol=2.240000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name HG22) 3.544 1.570 1.570 weight 1.000 ! spec=N15NOESY, no=11, id=10, vol=1.510000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name HG11) 3.211 1.289 1.289 weight 1.000 ! spec=N15NOESY, no=12, id=11, vol=2.730000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name   HB) 2.796 0.977 0.977 weight 1.000 ! spec=N15NOESY, no=13, id=12, vol=6.260000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   19 and name  HG2) 4.402 2.422 2.422 weight 1.000 ! spec=N15NOESY, no=14, id=13, vol=4.110000e+06
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name  HB2) 2.829 1.001 1.001 weight 1.000 ! spec=N15NOESY, no=15, id=14, vol=5.830000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name   HA) 2.781 0.967 0.967 weight 1.000 ! spec=N15NOESY, no=16, id=15, vol=6.460000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name   HN) 2.999 1.124 1.124 weight 1.000 ! spec=N15NOESY, no=17, id=16, vol=4.110000e+07
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   22 and name   HN) 3.039 1.154 1.154 weight 1.000 ! spec=N15NOESY, no=19, id=18, vol=3.800000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name   HA) 2.676 0.895 0.895 weight 1.000 ! spec=N15NOESY, no=20, id=19, vol=8.140000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name   HA) 3.161 1.249 1.249 weight 1.000 ! spec=N15NOESY, no=21, id=20, vol=3.000000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name  HB2) 2.689 0.904 0.904 weight 1.000 ! spec=N15NOESY, no=22, id=21, vol=7.910000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name  HB1) 3.620 1.638 1.638 weight 1.000 ! spec=N15NOESY, no=23, id=22, vol=1.330000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name   HB) 3.301 1.362 1.362 weight 1.000 ! spec=N15NOESY, no=24, id=23, vol=2.310000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name HG22) 3.180 1.264 1.264 weight 1.000 ! spec=N15NOESY, no=25, id=24, vol=2.890000e+07
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name HG12) 4.687 2.746 2.746 weight 1.000 ! spec=N15NOESY, no=26, id=25, vol=2.820000e+06
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name   HA) 2.807 0.985 0.985 weight 1.000 ! spec=N15NOESY, no=29, id=28, vol=6.110000e+07
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HB2) 2.708 0.916 0.916 weight 1.000 ! spec=N15NOESY, no=30, id=29, vol=7.590000e+07
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HG2) 2.817 0.992 0.992 weight 1.000 ! spec=N15NOESY, no=31, id=30, vol=5.980000e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name   HA) 3.247 1.318 1.318 weight 1.000 ! spec=N15NOESY, no=32, id=31, vol=2.550000e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name   HA) 2.687 0.902 0.902 weight 1.000 ! spec=N15NOESY, no=33, id=32, vol=7.950000e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name  HG2) 2.965 1.099 1.099 weight 1.000 ! spec=N15NOESY, no=34, id=33, vol=4.400000e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name  HB2) 3.445 1.483 1.483 weight 1.000 ! spec=N15NOESY, no=35, id=34, vol=1.790000e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name  HB2) 2.762 0.953 0.953 weight 1.000 ! spec=N15NOESY, no=36, id=35, vol=6.740000e+07
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   21 and name   HN) 3.239 1.311 1.311 weight 1.000 ! spec=N15NOESY, no=37, id=36, vol=2.590000e+07
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name   HN) 2.973 1.105 1.105 weight 1.000 ! spec=N15NOESY, no=38, id=37, vol=4.330000e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name   HA) 2.936 1.077 1.077 weight 1.000 ! spec=N15NOESY, no=39, id=38, vol=4.670000e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB2) 2.663 0.887 0.887 weight 1.000 ! spec=N15NOESY, no=40, id=39, vol=8.380000e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HG1) 2.672 0.892 0.892 weight 1.000 ! spec=N15NOESY, no=41, id=40, vol=8.220000e+07
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   20 and name  HB2) 3.265 1.332 1.332 weight 1.000 ! spec=N15NOESY, no=42, id=41, vol=2.470000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name  HB2) 3.438 1.478 1.478 weight 1.000 ! spec=N15NOESY, no=43, id=42, vol=1.810000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name  HB1) 3.420 1.462 1.462 weight 1.000 ! spec=N15NOESY, no=44, id=43, vol=1.870000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name HD22) 2.561 0.820 0.820 weight 1.000 ! spec=N15NOESY, no=46, id=44, vol=1.060000e+08
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name  HB2) 2.779 0.965 0.965 weight 1.000 ! spec=N15NOESY, no=47, id=45, vol=6.500000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name  HB1) 2.502 0.782 0.782 weight 1.000 ! spec=N15NOESY, no=48, id=46, vol=1.220000e+08
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name   HN) 2.982 1.112 1.112 weight 1.000 ! spec=N15NOESY, no=49, id=47, vol=4.250000e+07
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   38 and name   HN) 2.588 0.837 0.837 weight 1.000 ! spec=N15NOESY, no=50, id=48, vol=9.950000e+07
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   18 and name   HN) 2.757 0.950 0.950 weight 1.000 ! spec=N15NOESY, no=51, id=49, vol=6.810000e+07
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name  HB1) 3.667 1.681 1.681 weight 1.000 ! spec=N15NOESY, no=52, id=50, vol=1.230000e+07
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name HD12) 1.993 0.497 0.497 weight 1.000 ! spec=N15NOESY, no=53, id=51, vol=4.770000e+08
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   34 and name HD12) 4.361 2.377 2.377 weight 1.000 ! spec=N15NOESY, no=54, id=52, vol=4.350000e+06
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name   HA) 2.845 1.012 1.012 weight 1.000 ! spec=N15NOESY, no=55, id=53, vol=5.640000e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name  HB2) 2.553 0.815 0.815 weight 1.000 ! spec=N15NOESY, no=56, id=54, vol=1.080000e+08
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name  HB2) 2.588 0.837 0.837 weight 1.000 ! spec=N15NOESY, no=57, id=55, vol=9.960000e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   16 and name HD12) 3.171 1.257 1.257 weight 1.000 ! spec=N15NOESY, no=58, id=56, vol=2.940000e+07
assign (segid "    " and resid   16 and name   HN) (segid "    " and resid   15 and name   HN) 2.828 1.000 1.000 weight 1.000 ! spec=N15NOESY, no=60, id=58, vol=5.850000e+07
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name   HA) 2.768 0.958 0.958 weight 1.000 ! spec=N15NOESY, no=61, id=59, vol=6.650000e+07
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name   HA) 4.070 2.071 2.071 weight 1.000 ! spec=N15NOESY, no=62, id=60, vol=6.580000e+06
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name  HB2) 3.086 1.191 1.191 weight 1.000 ! spec=N15NOESY, no=63, id=61, vol=3.460000e+07
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   15 and name  HB2) 2.617 0.856 0.856 weight 1.000 ! spec=N15NOESY, no=64, id=62, vol=9.320000e+07
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   12 and name  HG1) 3.833 1.837 1.837 weight 1.000 ! spec=N15NOESY, no=65, id=63, vol=9.430000e+06
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name HD12) 3.648 1.663 1.663 weight 1.000 ! spec=N15NOESY, no=66, id=64, vol=1.270000e+07
assign (segid "    " and resid   15 and name   HN) (segid "    " and resid   14 and name HD22) 3.620 1.638 1.638 weight 1.000 ! spec=N15NOESY, no=67, id=65, vol=1.330000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name   HN) 3.790 1.795 1.795 weight 1.000 ! spec=N15NOESY, no=68, id=66, vol=1.010000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   15 and name   HN) 3.344 1.398 1.398 weight 1.000 ! spec=N15NOESY, no=69, id=67, vol=2.140000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name   HA) 3.908 1.910 1.910 weight 1.000 ! spec=N15NOESY, no=70, id=68, vol=8.390000e+06
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   13 and name   HA) 3.069 1.177 1.177 weight 1.000 ! spec=N15NOESY, no=71, id=69, vol=3.580000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name  HB1) 2.844 1.011 1.011 weight 1.000 ! spec=N15NOESY, no=72, id=70, vol=5.650000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name   HG) 3.125 1.221 1.221 weight 1.000 ! spec=N15NOESY, no=73, id=71, vol=3.210000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name  HB2) 2.358 0.695 0.695 weight 1.000 ! spec=N15NOESY, no=74, id=72, vol=1.740000e+08
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name HD22) 3.429 1.470 1.470 weight 1.000 ! spec=N15NOESY, no=75, id=73, vol=1.840000e+07
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name HD12) 3.411 1.454 1.454 weight 1.000 ! spec=N15NOESY, no=76, id=74, vol=1.900000e+07
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name  HB2) 2.771 0.960 0.960 weight 1.000 ! spec=N15NOESY, no=77, id=75, vol=6.610000e+07
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   16 and name HD12) 3.429 1.470 1.470 weight 1.000 ! spec=N15NOESY, no=78, id=76, vol=1.840000e+07
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name  HG2) 2.916 1.063 1.063 weight 1.000 ! spec=N15NOESY, no=79, id=77, vol=4.870000e+07
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name  HB2) 2.442 0.745 0.745 weight 1.000 ! spec=N15NOESY, no=80, id=78, vol=1.410000e+08
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name  HB2) 2.944 1.084 1.084 weight 1.000 ! spec=N15NOESY, no=81, id=79, vol=4.590000e+07
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   12 and name  HB2) 2.787 0.971 0.971 weight 1.000 ! spec=N15NOESY, no=82, id=80, vol=6.380000e+07
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   10 and name  HB1) 3.809 1.813 1.813 weight 1.000 ! spec=N15NOESY, no=83, id=81, vol=9.800000e+06
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name   HA) 2.762 0.953 0.953 weight 1.000 ! spec=N15NOESY, no=84, id=82, vol=6.740000e+07
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    6 and name   HA) 3.022 1.141 1.141 weight 1.000 ! spec=N15NOESY, no=85, id=83, vol=3.930000e+07
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid    9 and name   HA) 4.386 2.405 2.405 weight 1.000 ! spec=N15NOESY, no=86, id=84, vol=4.200000e+06
assign (segid "    " and resid    7 and name   HN) (segid "    " and resid    7 and name   HA) 3.018 1.138 1.138 weight 1.000 ! spec=N15NOESY, no=87, id=85, vol=3.960000e+07
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   10 and name   HA) 4.081 2.082 2.082 weight 1.000 ! spec=N15NOESY, no=88, id=86, vol=6.470000e+06
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name   HA) 2.974 1.106 1.106 weight 1.000 ! spec=N15NOESY, no=89, id=87, vol=4.320000e+07
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name  HD2) 4.842 2.931 2.931 weight 1.000 ! spec=N15NOESY, no=90, id=88, vol=2.320000e+06
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name  HB2) 2.431 0.739 0.739 weight 1.000 ! spec=N15NOESY, no=91, id=89, vol=1.450000e+08
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   13 and name  HB2) 3.863 1.865 1.865 weight 1.000 ! spec=N15NOESY, no=92, id=90, vol=9.000000e+06
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   12 and name  HG1) 3.346 1.400 1.400 weight 1.000 ! spec=N15NOESY, no=93, id=91, vol=2.130000e+07
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name   HN) 3.250 1.320 1.320 weight 1.000 ! spec=N15NOESY, no=94, id=92, vol=2.540000e+07
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name   HA) 3.227 1.301 1.301 weight 1.000 ! spec=N15NOESY, no=95, id=93, vol=2.650000e+07
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HG2) 2.966 1.100 1.100 weight 1.000 ! spec=N15NOESY, no=96, id=94, vol=4.390000e+07
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   11 and name  HB2) 2.808 0.986 0.986 weight 1.000 ! spec=N15NOESY, no=97, id=95, vol=6.100000e+07
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name  HB2) 3.068 1.176 1.176 weight 1.000 ! spec=N15NOESY, no=98, id=96, vol=3.590000e+07
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name  HB1) 3.454 1.492 1.492 weight 1.000 ! spec=N15NOESY, no=99, id=97, vol=1.760000e+07
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid   10 and name HD12) 3.597 1.618 1.618 weight 1.000 ! spec=N15NOESY, no=100, id=98, vol=1.380000e+07
assign (segid "    " and resid   11 and name   HN) (segid "    " and resid    7 and name  HG2) 3.864 1.866 1.866 weight 1.000 ! spec=N15NOESY, no=101, id=99, vol=8.990000e+06
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name   HA) 3.662 1.676 1.676 weight 1.000 ! spec=N15NOESY, no=102, id=100, vol=1.240000e+07
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   27 and name   HA) 3.140 1.233 1.233 weight 1.000 ! spec=N15NOESY, no=103, id=101, vol=3.120000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name   HA) 2.917 1.063 1.063 weight 1.000 ! spec=N15NOESY, no=104, id=102, vol=4.860000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name  HB2) 3.166 1.253 1.253 weight 1.000 ! spec=N15NOESY, no=105, id=103, vol=2.970000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name  HB1) 3.336 1.391 1.391 weight 1.000 ! spec=N15NOESY, no=106, id=104, vol=2.170000e+07
assign (segid "    " and resid   30 and name   HN) (segid "    " and resid   30 and name  HB2) 2.538 0.805 0.805 weight 1.000 ! spec=N15NOESY, no=108, id=105, vol=1.120000e+08
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name  HB1) 2.759 0.952 0.952 weight 1.000 ! spec=N15NOESY, no=109, id=106, vol=6.780000e+07
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name HD12) 3.597 1.618 1.618 weight 1.000 ! spec=N15NOESY, no=110, id=107, vol=1.380000e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name  HB2) 2.492 0.776 0.776 weight 1.000 ! spec=N15NOESY, no=111, id=108, vol=1.250000e+08
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name  HG2) 2.986 1.114 1.114 weight 1.000 ! spec=N15NOESY, no=112, id=109, vol=4.220000e+07
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name   HA) 3.252 1.322 1.322 weight 1.000 ! spec=N15NOESY, no=113, id=110, vol=2.530000e+07
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name   HA) 2.818 0.993 0.993 weight 1.000 ! spec=N15NOESY, no=114, id=111, vol=5.970000e+07
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name   HA) 3.417 1.459 1.459 weight 1.000 ! spec=N15NOESY, no=115, id=112, vol=1.880000e+07
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HB2) 2.917 1.063 1.063 weight 1.000 ! spec=N15NOESY, no=116, id=113, vol=4.860000e+07
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name  HB2) 2.716 0.922 0.922 weight 1.000 ! spec=N15NOESY, no=117, id=114, vol=7.450000e+07
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid   10 and name   HN) 3.492 1.524 1.524 weight 1.000 ! spec=N15NOESY, no=118, id=115, vol=1.650000e+07
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name  HB2) 2.080 0.541 0.541 weight 1.000 ! spec=N15NOESY, no=120, id=117, vol=3.690000e+08
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   28 and name  HB2) 2.902 1.053 1.053 weight 1.000 ! spec=N15NOESY, no=121, id=118, vol=5.010000e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name  HB2) 2.356 0.694 0.694 weight 1.000 ! spec=N15NOESY, no=122, id=119, vol=1.750000e+08
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name   HA) 2.649 0.877 0.877 weight 1.000 ! spec=N15NOESY, no=123, id=120, vol=8.650000e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name   HA) 2.870 1.030 1.030 weight 1.000 ! spec=N15NOESY, no=124, id=121, vol=5.350000e+07
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    7 and name   HN) 1.985 0.493 0.493 weight 1.000 ! spec=N15NOESY, no=125, id=122, vol=4.890000e+08
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name   HA) 2.828 1.000 1.000 weight 1.000 ! spec=N15NOESY, no=126, id=123, vol=5.850000e+07
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    2 and name  HB2) 3.615 1.634 1.634 weight 1.000 ! spec=N15NOESY, no=127, id=124, vol=1.340000e+07
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    3 and name   HG) 3.132 1.226 1.226 weight 1.000 ! spec=N15NOESY, no=128, id=125, vol=3.170000e+07
assign (segid "    " and resid    4 and name   HN) (segid "    " and resid    4 and name   HA) 2.223 0.618 0.618 weight 1.000 ! spec=N15NOESY, no=130, id=126, vol=2.480000e+08
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name   HA) 3.435 1.475 1.475 weight 1.000 ! spec=N15NOESY, no=131, id=127, vol=1.820000e+07
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name  HB2) 2.626 0.862 0.862 weight 1.000 ! spec=N15NOESY, no=132, id=128, vol=9.120000e+07
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name HD22) 3.521 1.550 1.550 weight 1.000 ! spec=N15NOESY, no=133, id=129, vol=1.570000e+07
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   45 and name   HA) 3.162 1.250 1.250 weight 1.000 ! spec=N15NOESY, no=134, id=130, vol=2.990000e+07
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   45 and name  HB2) 2.670 0.891 0.891 weight 1.000 ! spec=N15NOESY, no=135, id=131, vol=8.260000e+07
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name   HA) 3.585 1.606 1.606 weight 1.000 ! spec=N15NOESY, no=136, id=132, vol=1.410000e+07
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name  HB2) 2.860 1.023 1.023 weight 1.000 ! spec=N15NOESY, no=137, id=133, vol=5.460000e+07
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name   HA) 4.166 2.170 2.170 weight 1.000 ! spec=N15NOESY, no=138, id=134, vol=5.720000e+06
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   40 and name  HA1) 3.055 1.167 1.167 weight 1.000 ! spec=N15NOESY, no=139, id=135, vol=3.680000e+07
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   41 and name  HB2) 4.285 2.295 2.295 weight 1.000 ! spec=N15NOESY, no=140, id=136, vol=4.830000e+06
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name   HN) 4.374 2.392 2.392 weight 1.000 ! spec=N15NOESY, no=141, id=137, vol=4.270000e+06
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name   HA) 3.173 1.259 1.259 weight 1.000 ! spec=N15NOESY, no=142, id=138, vol=2.930000e+07
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name  HA1) 2.807 0.985 0.985 weight 1.000 ! spec=N15NOESY, no=143, id=139, vol=6.120000e+07
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name  HB2) 3.149 1.239 1.239 weight 1.000 ! spec=N15NOESY, no=144, id=140, vol=3.070000e+07
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   38 and name   HA) 2.756 0.950 0.950 weight 1.000 ! spec=N15NOESY, no=146, id=142, vol=6.820000e+07
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   39 and name   HA) 2.836 1.005 1.005 weight 1.000 ! spec=N15NOESY, no=147, id=143, vol=5.750000e+07
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   36 and name   HA) 2.813 0.989 0.989 weight 1.000 ! spec=N15NOESY, no=148, id=144, vol=6.040000e+07
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   39 and name  HG2) 2.715 0.921 0.921 weight 1.000 ! spec=N15NOESY, no=149, id=145, vol=7.470000e+07
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   36 and name HD22) 3.939 1.939 1.939 weight 1.000 ! spec=N15NOESY, no=150, id=146, vol=8.010000e+06
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   39 and name  HB2) 2.409 0.725 0.725 weight 1.000 ! spec=N15NOESY, no=151, id=147, vol=1.530000e+08
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   38 and name   HN) 3.015 1.136 1.136 weight 1.000 ! spec=N15NOESY, no=152, id=148, vol=3.980000e+07
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name   HA) 3.195 1.276 1.276 weight 1.000 ! spec=N15NOESY, no=153, id=149, vol=2.810000e+07
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   37 and name  HB2) 3.615 1.634 1.634 weight 1.000 ! spec=N15NOESY, no=154, id=150, vol=1.340000e+07
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name  HG1) 3.041 1.156 1.156 weight 1.000 ! spec=N15NOESY, no=155, id=151, vol=3.780000e+07
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name  HB1) 3.256 1.325 1.325 weight 1.000 ! spec=N15NOESY, no=156, id=152, vol=2.510000e+07
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   38 and name  HB2) 2.578 0.830 0.830 weight 1.000 ! spec=N15NOESY, no=157, id=153, vol=1.020000e+08
assign (segid "    " and resid   38 and name   HN) (segid "    " and resid   34 and name HG22) 4.730 2.797 2.797 weight 1.000 ! spec=N15NOESY, no=158, id=154, vol=2.670000e+06
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HB1) 3.672 1.685 1.685 weight 1.000 ! spec=N15NOESY, no=159, id=155, vol=1.220000e+07
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name  HB2) 2.897 1.049 1.049 weight 1.000 ! spec=N15NOESY, no=160, id=156, vol=5.060000e+07
assign (segid "    " and resid   36 and name   HN) (segid "    " and resid   36 and name   HG) 3.354 1.406 1.406 weight 1.000 ! spec=N15NOESY, no=161, id=157, vol=2.100000e+07
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name   HA) 3.129 1.223 1.223 weight 1.000 ! spec=N15NOESY, no=162, id=158, vol=3.190000e+07
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HB2) 2.823 0.996 0.996 weight 1.000 ! spec=N15NOESY, no=163, id=159, vol=5.910000e+07
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   35 and name  HG2) 3.344 1.398 1.398 weight 1.000 ! spec=N15NOESY, no=164, id=160, vol=2.140000e+07
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name   HB) 2.979 1.109 1.109 weight 1.000 ! spec=N15NOESY, no=165, id=161, vol=4.280000e+07
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name HG12) 3.672 1.685 1.685 weight 1.000 ! spec=N15NOESY, no=166, id=162, vol=1.220000e+07
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   34 and name HG22) 3.019 1.139 1.139 weight 1.000 ! spec=N15NOESY, no=167, id=163, vol=3.950000e+07
assign (segid "    " and resid   35 and name   HN) (segid "    " and resid   33 and name  HB2) 4.639 2.690 2.690 weight 1.000 ! spec=N15NOESY, no=168, id=164, vol=3.000000e+06
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name   HB) 2.953 1.090 1.090 weight 1.000 ! spec=N15NOESY, no=169, id=165, vol=4.510000e+07
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name HG12) 3.211 1.289 1.289 weight 1.000 ! spec=N15NOESY, no=170, id=166, vol=2.730000e+07
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name  HB2) 3.157 1.246 1.246 weight 1.000 ! spec=N15NOESY, no=171, id=167, vol=3.020000e+07
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name   HA) 4.968 3.085 3.085 weight 1.000 ! spec=N15NOESY, no=172, id=168, vol=1.990000e+06
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name   HA) 2.758 0.951 0.951 weight 1.000 ! spec=N15NOESY, no=173, id=169, vol=6.800000e+07
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name HG22) 3.759 1.766 1.766 weight 1.000 ! spec=N15NOESY, no=174, id=170, vol=1.060000e+07
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   35 and name   HN) 1.976 0.488 0.488 weight 1.000 ! spec=N15NOESY, no=175, id=171, vol=5.020000e+08
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name   HA) 3.276 1.341 1.341 weight 1.000 ! spec=N15NOESY, no=176, id=172, vol=2.420000e+07
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name   HA) 2.956 1.093 1.093 weight 1.000 ! spec=N15NOESY, no=177, id=173, vol=4.480000e+07
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name  HB2) 2.965 1.099 1.099 weight 1.000 ! spec=N15NOESY, no=178, id=174, vol=4.400000e+07
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name  HB2) 2.926 1.070 1.070 weight 1.000 ! spec=N15NOESY, no=179, id=175, vol=4.770000e+07
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   30 and name HD12) 3.844 1.847 1.847 weight 1.000 ! spec=N15NOESY, no=180, id=176, vol=9.270000e+06
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name  HG2) 3.233 1.306 1.306 weight 1.000 ! spec=N15NOESY, no=181, id=177, vol=2.620000e+07
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   29 and name   HA) 3.065 1.174 1.174 weight 1.000 ! spec=N15NOESY, no=182, id=178, vol=3.610000e+07
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name   HA) 2.775 0.963 0.963 weight 1.000 ! spec=N15NOESY, no=183, id=179, vol=6.550000e+07
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name   HA) 3.540 1.566 1.566 weight 1.000 ! spec=N15NOESY, no=184, id=180, vol=1.520000e+07
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name  HD2) 4.378 2.395 2.395 weight 1.000 ! spec=N15NOESY, no=185, id=181, vol=4.250000e+06
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name  HB2) 2.553 0.815 0.815 weight 1.000 ! spec=N15NOESY, no=186, id=182, vol=1.080000e+08
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name  HG1) 3.260 1.329 1.329 weight 1.000 ! spec=N15NOESY, no=187, id=183, vol=2.490000e+07
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name   HA) 3.357 1.409 1.409 weight 1.000 ! spec=N15NOESY, no=188, id=184, vol=2.090000e+07
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name   HA) 3.371 1.420 1.420 weight 1.000 ! spec=N15NOESY, no=189, id=185, vol=2.040000e+07
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name  HB2) 2.498 0.780 0.780 weight 1.000 ! spec=N15NOESY, no=190, id=186, vol=1.230000e+08
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name  HG1) 3.333 1.389 1.389 weight 1.000 ! spec=N15NOESY, no=191, id=187, vol=2.180000e+07
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name HD22) 3.687 1.700 1.700 weight 1.000 ! spec=N15NOESY, no=192, id=188, vol=1.190000e+07
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name   HA) 2.737 0.936 0.936 weight 1.000 ! spec=N15NOESY, no=193, id=189, vol=7.120000e+07
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name  HB1) 2.882 1.038 1.038 weight 1.000 ! spec=N15NOESY, no=194, id=190, vol=5.220000e+07
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   25 and name   HA) 3.414 1.457 1.457 weight 1.000 ! spec=N15NOESY, no=195, id=191, vol=1.890000e+07
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name   HA) 2.985 1.114 1.114 weight 1.000 ! spec=N15NOESY, no=196, id=192, vol=4.230000e+07
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name  HG2) 3.171 1.257 1.257 weight 1.000 ! spec=N15NOESY, no=198, id=194, vol=2.940000e+07
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name  HB2) 3.059 1.170 1.170 weight 1.000 ! spec=N15NOESY, no=199, id=195, vol=3.650000e+07
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name  HB2) 2.596 0.842 0.842 weight 1.000 ! spec=N15NOESY, no=200, id=196, vol=9.770000e+07
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name  HG2) 2.765 0.956 0.956 weight 1.000 ! spec=N15NOESY, no=201, id=197, vol=6.690000e+07
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   28 and name  HB2) 3.813 1.818 1.818 weight 1.000 ! spec=N15NOESY, no=202, id=198, vol=9.730000e+06
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name  HB2) 2.401 0.721 0.721 weight 1.000 ! spec=N15NOESY, no=203, id=199, vol=1.560000e+08
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   30 and name HD12) 3.593 1.614 1.614 weight 1.000 ! spec=N15NOESY, no=204, id=200, vol=1.390000e+07
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name   HA) 2.908 1.057 1.057 weight 1.000 ! spec=N15NOESY, no=205, id=201, vol=4.950000e+07
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name   HA) 5.042 3.178 3.178 weight 1.000 ! spec=N15NOESY, no=206, id=202, vol=1.820000e+06
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name  HG2) 3.205 1.284 1.284 weight 1.000 ! spec=N15NOESY, no=207, id=203, vol=2.760000e+07
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   26 and name  HB2) 2.676 0.895 0.895 weight 1.000 ! spec=N15NOESY, no=208, id=204, vol=8.140000e+07
assign (segid "    " and resid   26 and name   HN) (segid "    " and resid   25 and name  HB2) 3.089 1.193 1.193 weight 1.000 ! spec=N15NOESY, no=209, id=205, vol=3.440000e+07
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HG2) 2.330 0.679 0.679 weight 1.000 ! spec=N15NOESY, no=210, id=206, vol=1.870000e+08
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HB2) 2.014 0.507 0.507 weight 1.000 ! spec=N15NOESY, no=211, id=207, vol=4.480000e+08
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name   HA) 2.760 0.953 0.953 weight 1.000 ! spec=N15NOESY, no=212, id=208, vol=6.760000e+07
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    7 and name   HA) 2.972 1.104 1.104 weight 1.000 ! spec=N15NOESY, no=213, id=209, vol=4.340000e+07

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1 -23.274   5.250   1.941
    2    H2   GLY   1           HT2      GLY   1 -24.525   4.213   2.423
    3    H3   GLY   1           HT3      GLY   1 -24.088   4.310   0.790
    4    HA2  GLY   1           HA1      GLY   1 -22.356   3.290   2.972
    5    HA3  GLY   1           HA2      GLY   1 -23.251   2.284   1.839
    6    H    SER   2           HN       SER   2 -21.309   5.244   1.438
    7    HA   SER   2           HA       SER   2 -20.082   4.170  -0.932
    8    HB2  SER   2           HB2      SER   2 -20.643   6.582  -0.698
    9    HB3  SER   2           HB1      SER   2 -19.431   6.716   0.574
   10    HG   SER   2           HG       SER   2 -18.441   7.339  -1.310
   11    H    LEU   3           HN       LEU   3 -18.721   2.538  -0.595
   12    HA   LEU   3           HA       LEU   3 -16.917   2.464   1.652
   13    HB2  LEU   3           HB2      LEU   3 -17.015   0.734  -0.823
   14    HB3  LEU   3           HB1      LEU   3 -16.094   0.393   0.629
   15    HG   LEU   3           HG       LEU   3 -19.107   0.517   0.472
   16   HD11  LEU   3          HD11      LEU   3 -19.002  -1.906   0.785
   17   HD12  LEU   3          HD12      LEU   3 -17.241  -1.840   0.686
   18   HD13  LEU   3          HD13      LEU   3 -18.222  -1.407  -0.715
   19   HD21  LEU   3          HD21      LEU   3 -19.024  -0.413   2.735
   20   HD22  LEU   3          HD22      LEU   3 -18.262   1.176   2.655
   21   HD23  LEU   3          HD23      LEU   3 -17.264  -0.279   2.723
   22    H    ASP   4           HN       ASP   4 -16.858   3.350  -1.687
   23    HA   ASP   4           HA       ASP   4 -14.113   3.446  -2.198
   24    HB2  ASP   4           HB2      ASP   4 -16.303   5.242  -3.268
   25    HB3  ASP   4           HB1      ASP   4 -14.703   5.051  -3.979
   26    H    GLU   5           HN       GLU   5 -16.264   5.731  -0.627
   27    HA   GLU   5           HA       GLU   5 -14.714   8.000  -0.498
   28    HB2  GLU   5           HB2      GLU   5 -17.028   7.774   0.383
   29    HB3  GLU   5           HB1      GLU   5 -16.392   6.867   1.747
   30    HG2  GLU   5           HG2      GLU   5 -16.843   9.180   2.338
   31    HG3  GLU   5           HG1      GLU   5 -15.125   8.803   2.471
   32    H    ASP   6           HN       ASP   6 -14.700   5.305   1.827
   33    HA   ASP   6           HA       ASP   6 -12.512   6.340   3.327
   34    HB2  ASP   6           HB2      ASP   6 -13.690   3.555   3.210
   35    HB3  ASP   6           HB1      ASP   6 -12.450   4.054   4.354
   36    H    GLU   7           HN       GLU   7 -12.834   4.204   0.598
   37    HA   GLU   7           HA       GLU   7 -10.197   3.169   0.650
   38    HB2  GLU   7           HB2      GLU   7 -12.362   3.263  -1.429
   39    HB3  GLU   7           HB1      GLU   7 -10.749   2.676  -1.831
   40    HG2  GLU   7           HG2      GLU   7 -10.890   0.971  -0.152
   41    HG3  GLU   7           HG1      GLU   7 -12.431   1.602   0.415
   42    H    GLU   8           HN       GLU   8 -11.633   6.034  -0.785
   43    HA   GLU   8           HA       GLU   8  -9.532   6.905  -2.383
   44    HB2  GLU   8           HB2      GLU   8 -11.520   8.417  -0.700
   45    HB3  GLU   8           HB1      GLU   8 -10.332   9.241  -1.699
   46    HG2  GLU   8           HG2      GLU   8 -12.346   7.263  -2.745
   47    HG3  GLU   8           HG1      GLU   8 -12.565   9.013  -2.749
   48    H    ASP   9           HN       ASP   9 -10.088   7.469   1.075
   49    HA   ASP   9           HA       ASP   9  -7.603   8.848   1.415
   50    HB2  ASP   9           HB2      ASP   9  -9.584   9.259   2.861
   51    HB3  ASP   9           HB1      ASP   9  -9.392   7.643   3.537
   52    H    LEU  10           HN       LEU  10  -8.666   5.544   1.677
   53    HA   LEU  10           HA       LEU  10  -6.478   4.525   3.149
   54    HB2  LEU  10           HB2      LEU  10  -8.702   3.392   2.666
   55    HB3  LEU  10           HB1      LEU  10  -8.082   3.034   1.069
   56    HG   LEU  10           HG       LEU  10  -7.978   1.166   2.788
   57   HD11  LEU  10          HD11      LEU  10  -5.779   0.387   2.053
   58   HD12  LEU  10          HD12      LEU  10  -5.411   2.005   1.453
   59   HD13  LEU  10          HD13      LEU  10  -6.713   1.068   0.719
   60   HD21  LEU  10          HD21      LEU  10  -6.242   1.192   4.419
   61   HD22  LEU  10          HD22      LEU  10  -7.205   2.658   4.628
   62   HD23  LEU  10          HD23      LEU  10  -5.634   2.739   3.831
   63    H    GLN  11           HN       GLN  11  -7.088   4.672  -0.375
   64    HA   GLN  11           HA       GLN  11  -4.475   3.701  -0.998
   65    HB2  GLN  11           HB2      GLN  11  -4.970   4.243  -3.300
   66    HB3  GLN  11           HB1      GLN  11  -6.357   3.455  -2.567
   67    HG2  GLN  11           HG2      GLN  11  -7.425   5.658  -2.291
   68    HG3  GLN  11           HG1      GLN  11  -6.046   6.399  -3.105
   69   HE21  GLN  11          HE21      GLN  11  -7.267   7.169  -4.814
   70   HE22  GLN  11          HE22      GLN  11  -7.962   6.126  -6.011
   71    H    ARG  12           HN       ARG  12  -5.819   6.798  -0.294
   72    HA   ARG  12           HA       ARG  12  -3.705   8.444  -1.151
   73    HB2  ARG  12           HB2      ARG  12  -5.893   9.291  -0.372
   74    HB3  ARG  12           HB1      ARG  12  -5.532   8.733   1.251
   75    HG2  ARG  12           HG2      ARG  12  -3.796  10.758  -0.121
   76    HG3  ARG  12           HG1      ARG  12  -5.272  11.223   0.724
   77    HD2  ARG  12           HD2      ARG  12  -2.817   9.901   1.867
   78    HD3  ARG  12           HD1      ARG  12  -3.466  11.497   2.247
   79    HE   ARG  12           HE       ARG  12  -5.355   9.441   2.833
   80   HH11  ARG  12          HH11      ARG  12  -2.592  11.172   4.066
   81   HH12  ARG  12          HH12      ARG  12  -2.832  10.663   5.712
   82   HH21  ARG  12          HH21      ARG  12  -5.727   8.802   5.012
   83   HH22  ARG  12          HH22      ARG  12  -4.604   9.307   6.240
   84    H    ALA  13           HN       ALA  13  -4.295   6.871   1.987
   85    HA   ALA  13           HA       ALA  13  -1.901   7.500   3.236
   86    HB1  ALA  13           HB1      ALA  13  -2.328   5.516   4.643
   87    HB2  ALA  13           HB2      ALA  13  -3.606   5.030   3.527
   88    HB3  ALA  13           HB3      ALA  13  -3.755   6.530   4.438
   89    H    LEU  14           HN       LEU  14  -2.681   4.798   1.078
   90    HA   LEU  14           HA       LEU  14  -0.220   3.463   1.245
   91    HB2  LEU  14           HB2      LEU  14  -2.172   3.642  -1.048
   92    HB3  LEU  14           HB1      LEU  14  -0.806   2.539  -1.000
   93    HG   LEU  14           HG       LEU  14  -3.124   2.528   0.938
   94   HD11  LEU  14          HD11      LEU  14  -3.727   0.419  -0.170
   95   HD12  LEU  14          HD12      LEU  14  -2.438   0.681  -1.345
   96   HD13  LEU  14          HD13      LEU  14  -3.805   1.794  -1.274
   97   HD21  LEU  14          HD21      LEU  14  -2.162   0.426   1.730
   98   HD22  LEU  14          HD22      LEU  14  -1.036   1.766   1.955
   99   HD23  LEU  14          HD23      LEU  14  -0.801   0.628   0.627
  100    H    ALA  15           HN       ALA  15  -1.330   5.880  -1.130
  101    HA   ALA  15           HA       ALA  15   1.102   6.097  -2.532
  102    HB1  ALA  15           HB1      ALA  15   0.206   8.181  -3.416
  103    HB2  ALA  15           HB2      ALA  15  -1.036   8.196  -2.164
  104    HB3  ALA  15           HB3      ALA  15  -1.037   6.931  -3.396
  105    H    LEU  16           HN       LEU  16  -0.132   7.687   0.327
  106    HA   LEU  16           HA       LEU  16   1.806   9.654   0.680
  107    HB2  LEU  16           HB2      LEU  16  -0.363   9.335   1.916
  108    HB3  LEU  16           HB1      LEU  16   0.415   8.066   2.837
  109    HG   LEU  16           HG       LEU  16   1.631  10.797   2.825
  110   HD11  LEU  16          HD11      LEU  16   0.142  11.086   4.938
  111   HD12  LEU  16          HD12      LEU  16  -0.923   9.934   4.110
  112   HD13  LEU  16          HD13      LEU  16  -0.509  11.470   3.343
  113   HD21  LEU  16          HD21      LEU  16   2.310  10.155   5.058
  114   HD22  LEU  16          HD22      LEU  16   2.769   8.889   3.916
  115   HD23  LEU  16          HD23      LEU  16   1.358   8.675   4.952
  116    H    SER  17           HN       SER  17   1.680   6.332   1.972
  117    HA   SER  17           HA       SER  17   4.256   6.416   3.143
  118    HB2  SER  17           HB2      SER  17   2.605   4.025   2.294
  119    HB3  SER  17           HB1      SER  17   4.010   3.974   3.362
  120    HG   SER  17           HG       SER  17   2.775   5.538   4.685
  121    H    ARG  18           HN       ARG  18   3.142   5.756  -0.081
  122    HA   ARG  18           HA       ARG  18   5.376   4.406  -1.110
  123    HB2  ARG  18           HB2      ARG  18   3.375   6.255  -2.382
  124    HB3  ARG  18           HB1      ARG  18   4.706   5.574  -3.304
  125    HG2  ARG  18           HG2      ARG  18   3.916   3.323  -2.749
  126    HG3  ARG  18           HG1      ARG  18   2.558   4.031  -1.874
  127    HD2  ARG  18           HD2      ARG  18   1.937   3.330  -4.146
  128    HD3  ARG  18           HD1      ARG  18   1.744   5.067  -3.901
  129    HE   ARG  18           HE       ARG  18   4.076   5.153  -5.012
  130   HH11  ARG  18          HH11      ARG  18   1.501   2.912  -5.821
  131   HH12  ARG  18          HH12      ARG  18   2.030   2.700  -7.470
  132   HH21  ARG  18          HH21      ARG  18   4.752   4.896  -7.175
  133   HH22  ARG  18          HH22      ARG  18   3.874   3.849  -8.250
  134    H    GLN  19           HN       GLN  19   4.677   7.886  -0.877
  135    HA   GLN  19           HA       GLN  19   7.295   8.541  -1.893
  136    HB2  GLN  19           HB2      GLN  19   6.625  10.912  -1.386
  137    HB3  GLN  19           HB1      GLN  19   5.594  10.064  -2.524
  138    HG2  GLN  19           HG2      GLN  19   3.949  10.940  -1.290
  139    HG3  GLN  19           HG1      GLN  19   4.278   9.575  -0.227
  140   HE21  GLN  19          HE21      GLN  19   3.192  12.237   0.328
  141   HE22  GLN  19          HE22      GLN  19   4.221  12.913   1.552
  142    H    GLU  20           HN       GLU  20   5.867   8.059   1.238
  143    HA   GLU  20           HA       GLU  20   7.793   9.300   2.851
  144    HB2  GLU  20           HB2      GLU  20   6.186   6.783   3.259
  145    HB3  GLU  20           HB1      GLU  20   7.277   7.410   4.486
  146    HG2  GLU  20           HG2      GLU  20   5.952   9.552   4.386
  147    HG3  GLU  20           HG1      GLU  20   4.774   8.669   3.411
  148    H    ILE  21           HN       ILE  21   7.680   5.952   1.665
  149    HA   ILE  21           HA       ILE  21  10.378   5.458   2.531
  150    HB   ILE  21           HB       ILE  21   8.347   3.799   1.054
  151   HG12  ILE  21          HG12      ILE  21   8.783   2.266   3.025
  152   HG13  ILE  21          HG11      ILE  21   9.747   3.561   3.718
  153   HG21  ILE  21          HG21      ILE  21  10.000   1.928   1.110
  154   HG22  ILE  21          HG22      ILE  21  11.243   3.119   1.495
  155   HG23  ILE  21          HG23      ILE  21  10.376   3.213  -0.037
  156   HD11  ILE  21          HD11      ILE  21   6.815   3.705   3.062
  157   HD12  ILE  21          HD12      ILE  21   7.785   5.004   3.751
  158   HD13  ILE  21          HD13      ILE  21   7.522   3.521   4.669
  159    H    ASP  22           HN       ASP  22   8.929   4.991  -0.675
  160    HA   ASP  22           HA       ASP  22   9.996   4.771  -2.700
  161    HB2  ASP  22           HB2      ASP  22   9.232   7.245  -2.278
  162    HB3  ASP  22           HB1      ASP  22  10.961   7.573  -2.263
  163    H    MET  23           HN       MET  23  11.589   3.327  -1.448
  164    HA   MET  23           HA       MET  23  14.303   4.250  -1.974
  165    HB2  MET  23           HB2      MET  23  13.582   4.698   0.469
  166    HB3  MET  23           HB1      MET  23  13.637   2.952   0.664
  167    HG2  MET  23           HG2      MET  23  15.687   3.921   1.439
  168    HG3  MET  23           HG1      MET  23  15.998   2.976  -0.017
  169    HE1  MET  23           HE1      MET  23  15.435   6.580   1.421
  170    HE2  MET  23           HE2      MET  23  14.294   6.516   0.077
  171    HE3  MET  23           HE3      MET  23  15.697   7.581  -0.008
  172    H    GLU  24           HN       GLU  24  15.292   2.696  -3.096
  173    HA   GLU  24           HA       GLU  24  13.885   0.153  -3.344
  174    HB2  GLU  24           HB2      GLU  24  16.172   1.175  -5.016
  175    HB3  GLU  24           HB1      GLU  24  15.051  -0.118  -5.417
  176    HG2  GLU  24           HG2      GLU  24  14.372   2.803  -5.156
  177    HG3  GLU  24           HG1      GLU  24  14.557   1.909  -6.661
  178    H    ASP  25           HN       ASP  25  15.053  -0.077  -0.992
  179    HA   ASP  25           HA       ASP  25  17.122  -2.052  -1.597
  180    HB2  ASP  25           HB2      ASP  25  18.336  -1.363   0.556
  181    HB3  ASP  25           HB1      ASP  25  18.544  -0.345  -0.862
  182    H    GLU  26           HN       GLU  26  16.497  -1.261   1.720
  183    HA   GLU  26           HA       GLU  26  15.312  -3.898   2.118
  184    HB2  GLU  26           HB2      GLU  26  17.145  -2.702   3.564
  185    HB3  GLU  26           HB1      GLU  26  15.784  -1.854   4.278
  186    HG2  GLU  26           HG2      GLU  26  15.931  -4.843   4.170
  187    HG3  GLU  26           HG1      GLU  26  16.651  -3.911   5.479
  188    H    GLU  27           HN       GLU  27  14.587  -0.495   2.542
  189    HA   GLU  27           HA       GLU  27  11.948  -0.704   3.444
  190    HB2  GLU  27           HB2      GLU  27  13.278   1.434   1.777
  191    HB3  GLU  27           HB1      GLU  27  11.690   1.599   2.517
  192    HG2  GLU  27           HG2      GLU  27  12.704   1.276   4.725
  193    HG3  GLU  27           HG1      GLU  27  14.290   1.178   3.961
  194    H    ALA  28           HN       ALA  28  13.348  -1.234   0.345
  195    HA   ALA  28           HA       ALA  28  11.166  -0.926  -1.357
  196    HB1  ALA  28           HB1      ALA  28  13.271  -3.067  -1.581
  197    HB2  ALA  28           HB2      ALA  28  13.518  -1.384  -2.034
  198    HB3  ALA  28           HB3      ALA  28  12.315  -2.356  -2.883
  199    H    ASP  29           HN       ASP  29  11.805  -3.366   1.035
  200    HA   ASP  29           HA       ASP  29   9.928  -5.288   0.076
  201    HB2  ASP  29           HB2      ASP  29  11.678  -5.856   1.745
  202    HB3  ASP  29           HB1      ASP  29  10.851  -4.843   2.928
  203    H    LEU  30           HN       LEU  30   9.759  -2.648   2.423
  204    HA   LEU  30           HA       LEU  30   7.016  -2.908   3.046
  205    HB2  LEU  30           HB2      LEU  30   8.823  -0.482   3.107
  206    HB3  LEU  30           HB1      LEU  30   7.180  -0.485   3.714
  207    HG   LEU  30           HG       LEU  30   7.917  -2.334   5.305
  208   HD11  LEU  30          HD11      LEU  30  10.651  -1.341   4.525
  209   HD12  LEU  30          HD12      LEU  30   9.993  -2.932   4.142
  210   HD13  LEU  30          HD13      LEU  30  10.276  -2.476   5.823
  211   HD21  LEU  30          HD21      LEU  30   7.510  -0.011   5.976
  212   HD22  LEU  30          HD22      LEU  30   9.188   0.384   5.600
  213   HD23  LEU  30          HD23      LEU  30   8.819  -0.749   6.901
  214    H    ARG  31           HN       ARG  31   8.778  -1.088   0.610
  215    HA   ARG  31           HA       ARG  31   6.697   0.227  -0.683
  216    HB2  ARG  31           HB2      ARG  31   9.003   0.636  -1.250
  217    HB3  ARG  31           HB1      ARG  31   9.229  -1.031  -1.754
  218    HG2  ARG  31           HG2      ARG  31   8.937  -0.242  -3.810
  219    HG3  ARG  31           HG1      ARG  31   7.220  -0.188  -3.405
  220    HD2  ARG  31           HD2      ARG  31   7.206   2.064  -3.203
  221    HD3  ARG  31           HD1      ARG  31   8.838   2.124  -2.547
  222    HE   ARG  31           HE       ARG  31   9.056   1.372  -5.216
  223   HH11  ARG  31          HH11      ARG  31   7.906   4.162  -3.433
  224   HH12  ARG  31          HH12      ARG  31   8.465   5.312  -4.611
  225   HH21  ARG  31          HH21      ARG  31   9.785   2.864  -6.771
  226   HH22  ARG  31          HH22      ARG  31   9.531   4.570  -6.519
  227    H    ARG  32           HN       ARG  32   7.924  -3.062  -1.147
  228    HA   ARG  32           HA       ARG  32   6.135  -3.779  -3.214
  229    HB2  ARG  32           HB2      ARG  32   8.325  -4.907  -2.516
  230    HB3  ARG  32           HB1      ARG  32   7.379  -5.717  -1.277
  231    HG2  ARG  32           HG2      ARG  32   5.946  -6.676  -3.023
  232    HG3  ARG  32           HG1      ARG  32   6.939  -5.886  -4.250
  233    HD2  ARG  32           HD2      ARG  32   8.910  -7.127  -3.301
  234    HD3  ARG  32           HD1      ARG  32   7.766  -8.049  -2.325
  235    HE   ARG  32           HE       ARG  32   7.407  -7.996  -5.231
  236   HH11  ARG  32          HH11      ARG  32   8.341  -9.779  -2.359
  237   HH12  ARG  32          HH12      ARG  32   8.259 -11.330  -3.136
  238   HH21  ARG  32          HH21      ARG  32   7.306 -10.030  -6.266
  239   HH22  ARG  32          HH22      ARG  32   7.670 -11.474  -5.362
  240    H    ALA  33           HN       ALA  33   5.906  -3.764   0.266
  241    HA   ALA  33           HA       ALA  33   3.610  -5.415   0.504
  242    HB1  ALA  33           HB1      ALA  33   3.419  -4.493   2.764
  243    HB2  ALA  33           HB2      ALA  33   4.624  -3.268   2.368
  244    HB3  ALA  33           HB3      ALA  33   5.076  -4.972   2.401
  245    H    ILE  34           HN       ILE  34   4.070  -1.956  -0.032
  246    HA   ILE  34           HA       ILE  34   1.337  -1.233   0.224
  247    HB   ILE  34           HB       ILE  34   3.732   0.068  -1.017
  248   HG12  ILE  34          HG12      ILE  34   2.922   1.976   0.424
  249   HG13  ILE  34          HG11      ILE  34   1.660   0.906   1.019
  250   HG21  ILE  34          HG21      ILE  34   2.372   1.920  -1.876
  251   HG22  ILE  34          HG22      ILE  34   0.908   1.008  -1.510
  252   HG23  ILE  34          HG23      ILE  34   2.041   0.410  -2.722
  253   HD11  ILE  34          HD11      ILE  34   4.628   0.579   1.364
  254   HD12  ILE  34          HD12      ILE  34   3.431  -0.621   1.845
  255   HD13  ILE  34          HD13      ILE  34   3.440   0.971   2.607
  256    H    GLN  35           HN       GLN  35   3.374  -2.223  -2.478
  257    HA   GLN  35           HA       GLN  35   1.449  -2.071  -4.516
  258    HB2  GLN  35           HB2      GLN  35   3.860  -2.406  -4.936
  259    HB3  GLN  35           HB1      GLN  35   3.751  -4.023  -4.254
  260    HG2  GLN  35           HG2      GLN  35   2.154  -4.628  -6.039
  261    HG3  GLN  35           HG1      GLN  35   2.383  -3.029  -6.743
  262   HE21  GLN  35          HE21      GLN  35   5.230  -2.995  -6.033
  263   HE22  GLN  35          HE22      GLN  35   6.011  -4.047  -7.160
  264    H    LEU  36           HN       LEU  36   2.308  -4.687  -2.301
  265    HA   LEU  36           HA       LEU  36   0.598  -6.667  -3.262
  266    HB2  LEU  36           HB2      LEU  36   2.392  -7.158  -1.741
  267    HB3  LEU  36           HB1      LEU  36   1.736  -6.089  -0.525
  268    HG   LEU  36           HG       LEU  36   1.540  -8.598  -0.141
  269   HD11  LEU  36          HD11      LEU  36  -1.031  -8.172   0.476
  270   HD12  LEU  36          HD12      LEU  36  -0.494  -6.505   0.199
  271   HD13  LEU  36          HD13      LEU  36   0.321  -7.516   1.399
  272   HD21  LEU  36          HD21      LEU  36   0.789  -9.200  -2.390
  273   HD22  LEU  36          HD22      LEU  36  -0.704  -8.294  -2.131
  274   HD23  LEU  36          HD23      LEU  36  -0.354  -9.721  -1.153
  275    H    SER  37           HN       SER  37   0.091  -4.207  -0.760
  276    HA   SER  37           HA       SER  37  -2.546  -4.884  -0.117
  277    HB2  SER  37           HB2      SER  37  -1.238  -2.158   0.001
  278    HB3  SER  37           HB1      SER  37  -2.673  -2.664   0.894
  279    HG   SER  37           HG       SER  37  -0.019  -3.646   1.167
  280    H    MET  38           HN       MET  38  -1.229  -2.754  -2.615
  281    HA   MET  38           HA       MET  38  -3.690  -1.677  -3.466
  282    HB2  MET  38           HB2      MET  38  -1.394  -0.764  -3.950
  283    HB3  MET  38           HB1      MET  38  -1.198  -2.056  -5.127
  284    HG2  MET  38           HG2      MET  38  -3.090  -1.222  -6.394
  285    HG3  MET  38           HG1      MET  38  -3.348   0.031  -5.183
  286    HE1  MET  38           HE1      MET  38  -2.051   2.068  -8.264
  287    HE2  MET  38           HE2      MET  38  -3.362   1.852  -7.102
  288    HE3  MET  38           HE3      MET  38  -3.058   0.623  -8.330
  289    H    GLN  39           HN       GLN  39  -2.063  -4.681  -4.105
  290    HA   GLN  39           HA       GLN  39  -3.579  -5.392  -6.418
  291    HB2  GLN  39           HB2      GLN  39  -2.074  -7.141  -4.474
  292    HB3  GLN  39           HB1      GLN  39  -2.716  -7.670  -6.020
  293    HG2  GLN  39           HG2      GLN  39  -1.232  -6.087  -7.163
  294    HG3  GLN  39           HG1      GLN  39  -0.573  -5.596  -5.603
  295   HE21  GLN  39          HE21      GLN  39  -0.701  -8.068  -8.019
  296   HE22  GLN  39          HE22      GLN  39   0.602  -9.037  -7.403
  297    H    GLY  40           HN       GLY  40  -4.487  -4.969  -3.283
  298    HA2  GLY  40           HA2      GLY  40  -6.506  -5.343  -2.251
  299    HA3  GLY  40           HA1      GLY  40  -7.061  -6.111  -3.730
  300    H    SER  41           HN       SER  41  -4.167  -7.229  -2.187
  301    HA   SER  41           HA       SER  41  -5.538  -9.759  -1.656
  302    HB2  SER  41           HB2      SER  41  -2.573  -9.192  -1.876
  303    HB3  SER  41           HB1      SER  41  -3.323 -10.783  -1.744
  304    HG   SER  41           HG       SER  41  -4.379  -9.298  -3.775
  305    H    SER  42           HN       SER  42  -6.195 -10.038   0.337
  306    HA   SER  42           HA       SER  42  -4.563  -9.036   2.566
  307    HB2  SER  42           HB2      SER  42  -7.398 -10.114   2.607
  308    HB3  SER  42           HB1      SER  42  -6.559  -9.310   3.936
  309    HG   SER  42           HG       SER  42  -6.532  -7.798   1.687
  310    H    ARG  43           HN       ARG  43  -5.835 -11.044   4.391
  311    HA   ARG  43           HA       ARG  43  -3.986 -13.187   3.926
  312    HB2  ARG  43           HB2      ARG  43  -5.038 -14.191   5.975
  313    HB3  ARG  43           HB1      ARG  43  -4.351 -12.591   6.192
  314    HG2  ARG  43           HG2      ARG  43  -6.322 -12.402   7.335
  315    HG3  ARG  43           HG1      ARG  43  -6.783 -11.781   5.751
  316    HD2  ARG  43           HD2      ARG  43  -7.666 -14.028   5.180
  317    HD3  ARG  43           HD1      ARG  43  -7.300 -14.555   6.823
  318    HE   ARG  43           HE       ARG  43  -9.222 -12.411   6.166
  319   HH11  ARG  43          HH11      ARG  43  -8.212 -15.151   8.103
  320   HH12  ARG  43          HH12      ARG  43  -9.590 -15.091   9.152
  321   HH21  ARG  43          HH21      ARG  43 -11.053 -12.335   7.515
  322   HH22  ARG  43          HH22      ARG  43 -11.226 -13.487   8.813
  323    H    ASN  44           HN       ASN  44  -6.571 -12.606   2.229
  324    HA   ASN  44           HA       ASN  44  -7.896 -15.176   2.333
  325    HB2  ASN  44           HB2      ASN  44  -8.219 -12.897   0.362
  326    HB3  ASN  44           HB1      ASN  44  -9.248 -14.321   0.452
  327   HD21  ASN  44          HD21      ASN  44  -9.957 -11.526   0.701
  328   HD22  ASN  44          HD22      ASN  44 -10.690 -11.343   2.261
  329    H    LEU  45           HN       LEU  45  -5.882 -16.365   1.935
  330    HA   LEU  45           HA       LEU  45  -4.859 -16.214  -0.797
  331    HB2  LEU  45           HB2      LEU  45  -3.973 -17.895   1.549
  332    HB3  LEU  45           HB1      LEU  45  -3.180 -17.849  -0.014
  333    HG   LEU  45           HG       LEU  45  -3.411 -15.531   1.913
  334   HD11  LEU  45          HD11      LEU  45  -0.974 -15.800   2.115
  335   HD12  LEU  45          HD12      LEU  45  -1.068 -17.253   1.122
  336   HD13  LEU  45          HD13      LEU  45  -1.856 -17.211   2.698
  337   HD21  LEU  45          HD21      LEU  45  -3.433 -14.778  -0.406
  338   HD22  LEU  45          HD22      LEU  45  -1.994 -15.740  -0.743
  339   HD23  LEU  45          HD23      LEU  45  -1.902 -14.374   0.371
  340    H    GLU  46           HN       GLU  46  -6.311 -18.570   1.409
  341    HA   GLU  46           HA       GLU  46  -6.959 -20.257  -0.913
  342    HB2  GLU  46           HB2      GLU  46  -6.824 -20.999   2.016
  343    HB3  GLU  46           HB1      GLU  46  -7.218 -22.096   0.701
  344    HG2  GLU  46           HG2      GLU  46  -4.987 -21.772  -0.240
  345    HG3  GLU  46           HG1      GLU  46  -4.590 -20.679   1.086
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1 -20.468   5.879  -3.069
    2    H2   GLY   1           HT2      GLY   1 -20.526   4.393  -3.878
    3    H3   GLY   1           HT3      GLY   1 -19.364   4.655  -2.677
    4    HA2  GLY   1           HA1      GLY   1 -22.294   4.551  -2.235
    5    HA3  GLY   1           HA2      GLY   1 -21.160   3.256  -1.868
    6    H    SER   2           HN       SER   2 -19.778   3.447  -0.108
    7    HA   SER   2           HA       SER   2 -19.964   5.849   1.525
    8    HB2  SER   2           HB2      SER   2 -21.861   4.429   2.255
    9    HB3  SER   2           HB1      SER   2 -20.727   3.126   2.611
   10    HG   SER   2           HG       SER   2 -20.710   4.033   4.510
   11    H    LEU   3           HN       LEU   3 -18.641   2.575   1.147
   12    HA   LEU   3           HA       LEU   3 -16.478   3.012   2.974
   13    HB2  LEU   3           HB2      LEU   3 -16.812   0.909   0.831
   14    HB3  LEU   3           HB1      LEU   3 -15.611   0.879   2.109
   15    HG   LEU   3           HG       LEU   3 -18.600   0.721   2.500
   16   HD11  LEU   3          HD11      LEU   3 -18.144  -1.587   3.192
   17   HD12  LEU   3          HD12      LEU   3 -16.444  -1.373   2.772
   18   HD13  LEU   3          HD13      LEU   3 -17.679  -1.307   1.514
   19   HD21  LEU   3          HD21      LEU   3 -18.037   0.231   4.839
   20   HD22  LEU   3          HD22      LEU   3 -17.515   1.847   4.363
   21   HD23  LEU   3          HD23      LEU   3 -16.337   0.540   4.488
   22    H    ASP   4           HN       ASP   4 -17.079   3.707  -0.306
   23    HA   ASP   4           HA       ASP   4 -14.542   3.754  -1.458
   24    HB2  ASP   4           HB2      ASP   4 -16.685   5.811  -2.004
   25    HB3  ASP   4           HB1      ASP   4 -15.479   5.181  -3.124
   26    H    GLU   5           HN       GLU   5 -16.184   6.027   0.603
   27    HA   GLU   5           HA       GLU   5 -14.548   8.263   0.340
   28    HB2  GLU   5           HB2      GLU   5 -16.734   8.195   1.505
   29    HB3  GLU   5           HB1      GLU   5 -15.984   7.297   2.815
   30    HG2  GLU   5           HG2      GLU   5 -14.509   9.202   3.256
   31    HG3  GLU   5           HG1      GLU   5 -15.314  10.104   1.971
   32    H    ASP   6           HN       ASP   6 -14.296   5.479   2.507
   33    HA   ASP   6           HA       ASP   6 -11.887   6.454   3.743
   34    HB2  ASP   6           HB2      ASP   6 -13.516   5.018   4.964
   35    HB3  ASP   6           HB1      ASP   6 -13.103   3.686   3.889
   36    H    GLU   7           HN       GLU   7 -12.756   4.177   1.211
   37    HA   GLU   7           HA       GLU   7 -10.346   2.973   0.704
   38    HB2  GLU   7           HB2      GLU   7 -12.784   3.508  -0.784
   39    HB3  GLU   7           HB1      GLU   7 -11.365   3.521  -1.826
   40    HG2  GLU   7           HG2      GLU   7 -12.289   1.314  -1.773
   41    HG3  GLU   7           HG1      GLU   7 -10.733   1.323  -0.950
   42    H    GLU   8           HN       GLU   8 -11.438   6.173  -0.388
   43    HA   GLU   8           HA       GLU   8  -9.199   6.739  -1.988
   44    HB2  GLU   8           HB2      GLU   8 -11.130   8.549  -0.545
   45    HB3  GLU   8           HB1      GLU   8  -9.845   9.166  -1.572
   46    HG2  GLU   8           HG2      GLU   8 -10.809   7.823  -3.446
   47    HG3  GLU   8           HG1      GLU   8 -12.168   7.437  -2.388
   48    H    ASP   9           HN       ASP   9  -9.751   7.169   1.462
   49    HA   ASP   9           HA       ASP   9  -7.327   8.651   1.873
   50    HB2  ASP   9           HB2      ASP   9  -9.271   8.884   3.389
   51    HB3  ASP   9           HB1      ASP   9  -9.067   7.205   3.886
   52    H    LEU  10           HN       LEU  10  -8.367   5.306   2.247
   53    HA   LEU  10           HA       LEU  10  -5.989   4.312   3.385
   54    HB2  LEU  10           HB2      LEU  10  -8.268   3.195   3.233
   55    HB3  LEU  10           HB1      LEU  10  -7.864   2.784   1.581
   56    HG   LEU  10           HG       LEU  10  -7.554   0.963   3.301
   57   HD11  LEU  10          HD11      LEU  10  -5.438   0.165   2.364
   58   HD12  LEU  10          HD12      LEU  10  -5.150   1.763   1.673
   59   HD13  LEU  10          HD13      LEU  10  -6.518   0.794   1.122
   60   HD21  LEU  10          HD21      LEU  10  -5.615   1.011   4.712
   61   HD22  LEU  10          HD22      LEU  10  -6.602   2.438   5.038
   62   HD23  LEU  10          HD23      LEU  10  -5.138   2.579   4.068
   63    H    GLN  11           HN       GLN  11  -7.095   4.449  -0.000
   64    HA   GLN  11           HA       GLN  11  -4.721   3.379  -1.105
   65    HB2  GLN  11           HB2      GLN  11  -6.812   5.180  -2.336
   66    HB3  GLN  11           HB1      GLN  11  -5.516   4.408  -3.240
   67    HG2  GLN  11           HG2      GLN  11  -6.383   2.207  -2.513
   68    HG3  GLN  11           HG1      GLN  11  -7.731   3.037  -1.736
   69   HE21  GLN  11          HE21      GLN  11  -9.217   1.967  -3.048
   70   HE22  GLN  11          HE22      GLN  11  -9.422   2.352  -4.722
   71    H    ARG  12           HN       ARG  12  -5.706   6.647  -0.248
   72    HA   ARG  12           HA       ARG  12  -3.530   8.036  -1.336
   73    HB2  ARG  12           HB2      ARG  12  -5.446   9.220  -0.432
   74    HB3  ARG  12           HB1      ARG  12  -5.117   8.595   1.178
   75    HG2  ARG  12           HG2      ARG  12  -4.420  10.921   0.940
   76    HG3  ARG  12           HG1      ARG  12  -3.050   9.862   1.274
   77    HD2  ARG  12           HD2      ARG  12  -2.496   9.849  -1.116
   78    HD3  ARG  12           HD1      ARG  12  -3.852  10.933  -1.432
   79    HE   ARG  12           HE       ARG  12  -2.115  12.037   0.523
   80   HH11  ARG  12          HH11      ARG  12  -2.421  11.499  -2.924
   81   HH12  ARG  12          HH12      ARG  12  -1.331  12.780  -3.358
   82   HH21  ARG  12          HH21      ARG  12  -0.726  13.748  -0.030
   83   HH22  ARG  12          HH22      ARG  12  -0.382  14.089  -1.696
   84    H    ALA  13           HN       ALA  13  -3.959   6.617   1.901
   85    HA   ALA  13           HA       ALA  13  -1.443   7.194   2.931
   86    HB1  ALA  13           HB1      ALA  13  -1.845   5.414   4.527
   87    HB2  ALA  13           HB2      ALA  13  -3.136   4.768   3.511
   88    HB3  ALA  13           HB3      ALA  13  -3.315   6.353   4.266
   89    H    LEU  14           HN       LEU  14  -2.430   4.623   0.751
   90    HA   LEU  14           HA       LEU  14  -0.067   3.061   0.965
   91    HB2  LEU  14           HB2      LEU  14  -2.020   3.317  -1.326
   92    HB3  LEU  14           HB1      LEU  14  -0.793   2.071  -1.180
   93    HG   LEU  14           HG       LEU  14  -3.112   2.459   0.719
   94   HD11  LEU  14          HD11      LEU  14  -4.028   0.445  -0.267
   95   HD12  LEU  14          HD12      LEU  14  -2.664   0.341  -1.381
   96   HD13  LEU  14          HD13      LEU  14  -3.806   1.679  -1.508
   97   HD21  LEU  14          HD21      LEU  14  -2.426   0.312   1.647
   98   HD22  LEU  14          HD22      LEU  14  -1.134   1.503   1.794
   99   HD23  LEU  14          HD23      LEU  14  -1.051   0.261   0.545
  100    H    ALA  15           HN       ALA  15  -1.116   5.414  -1.507
  101    HA   ALA  15           HA       ALA  15   1.335   5.474  -2.904
  102    HB1  ALA  15           HB1      ALA  15   0.507   7.533  -3.911
  103    HB2  ALA  15           HB2      ALA  15  -0.756   7.638  -2.685
  104    HB3  ALA  15           HB3      ALA  15  -0.765   6.312  -3.850
  105    H    LEU  16           HN       LEU  16   0.056   7.284  -0.207
  106    HA   LEU  16           HA       LEU  16   2.016   9.211   0.164
  107    HB2  LEU  16           HB2      LEU  16  -0.213   8.884   1.354
  108    HB3  LEU  16           HB1      LEU  16   0.595   7.707   2.366
  109    HG   LEU  16           HG       LEU  16   1.563  10.553   2.186
  110   HD11  LEU  16          HD11      LEU  16  -0.364   9.473   4.231
  111   HD12  LEU  16          HD12      LEU  16  -0.874  10.394   2.817
  112   HD13  LEU  16          HD13      LEU  16   0.179  11.139   4.022
  113   HD21  LEU  16          HD21      LEU  16   2.616  10.083   4.266
  114   HD22  LEU  16          HD22      LEU  16   2.997   8.736   3.190
  115   HD23  LEU  16          HD23      LEU  16   1.757   8.555   4.431
  116    H    SER  17           HN       SER  17   1.806   5.948   1.570
  117    HA   SER  17           HA       SER  17   4.210   5.934   2.972
  118    HB2  SER  17           HB2      SER  17   2.428   4.228   3.214
  119    HB3  SER  17           HB1      SER  17   2.839   3.590   1.621
  120    HG   SER  17           HG       SER  17   4.108   3.263   4.046
  121    H    ARG  18           HN       ARG  18   3.566   5.296  -0.421
  122    HA   ARG  18           HA       ARG  18   6.155   4.235  -0.985
  123    HB2  ARG  18           HB2      ARG  18   4.013   5.324  -2.807
  124    HB3  ARG  18           HB1      ARG  18   5.501   4.576  -3.375
  125    HG2  ARG  18           HG2      ARG  18   4.881   2.499  -2.230
  126    HG3  ARG  18           HG1      ARG  18   3.372   3.251  -1.708
  127    HD2  ARG  18           HD2      ARG  18   3.037   1.857  -3.685
  128    HD3  ARG  18           HD1      ARG  18   2.704   3.555  -4.027
  129    HE   ARG  18           HE       ARG  18   5.403   2.788  -4.650
  130   HH11  ARG  18          HH11      ARG  18   2.113   2.821  -5.839
  131   HH12  ARG  18          HH12      ARG  18   2.577   2.808  -7.510
  132   HH21  ARG  18          HH21      ARG  18   6.022   2.768  -6.840
  133   HH22  ARG  18          HH22      ARG  18   4.806   2.764  -8.083
  134    H    GLN  19           HN       GLN  19   4.696   7.450  -1.292
  135    HA   GLN  19           HA       GLN  19   7.068   8.567  -2.478
  136    HB2  GLN  19           HB2      GLN  19   5.922  10.733  -2.267
  137    HB3  GLN  19           HB1      GLN  19   4.902   9.530  -3.040
  138    HG2  GLN  19           HG2      GLN  19   3.697   9.198  -0.951
  139    HG3  GLN  19           HG1      GLN  19   4.732  10.385  -0.161
  140   HE21  GLN  19          HE21      GLN  19   4.812  12.142  -2.482
  141   HE22  GLN  19          HE22      GLN  19   3.263  12.912  -2.548
  142    H    GLU  20           HN       GLU  20   6.034   7.834   0.669
  143    HA   GLU  20           HA       GLU  20   7.528   9.681   2.176
  144    HB2  GLU  20           HB2      GLU  20   6.667   6.836   2.695
  145    HB3  GLU  20           HB1      GLU  20   7.617   7.742   3.869
  146    HG2  GLU  20           HG2      GLU  20   4.919   8.540   2.804
  147    HG3  GLU  20           HG1      GLU  20   5.231   7.789   4.369
  148    H    ILE  21           HN       ILE  21   8.363   6.348   1.258
  149    HA   ILE  21           HA       ILE  21  11.190   7.149   1.166
  150    HB   ILE  21           HB       ILE  21  10.241   4.534   2.324
  151   HG12  ILE  21          HG12      ILE  21   9.696   6.506   3.764
  152   HG13  ILE  21          HG11      ILE  21  10.801   5.355   4.510
  153   HG21  ILE  21          HG21      ILE  21  12.976   5.793   2.297
  154   HG22  ILE  21          HG22      ILE  21  12.448   4.502   1.219
  155   HG23  ILE  21          HG23      ILE  21  12.556   4.210   2.955
  156   HD11  ILE  21          HD11      ILE  21  11.394   7.726   4.885
  157   HD12  ILE  21          HD12      ILE  21  11.645   7.889   3.146
  158   HD13  ILE  21          HD13      ILE  21  12.663   6.798   4.083
  159    H    ASP  22           HN       ASP  22  11.491   7.031  -1.021
  160    HA   ASP  22           HA       ASP  22  10.410   4.739  -2.473
  161    HB2  ASP  22           HB2      ASP  22  11.000   5.912  -4.509
  162    HB3  ASP  22           HB1      ASP  22  10.142   7.014  -3.441
  163    H    MET  23           HN       MET  23  12.771   4.799  -0.559
  164    HA   MET  23           HA       MET  23  15.093   4.176  -2.110
  165    HB2  MET  23           HB2      MET  23  15.249   5.067   0.179
  166    HB3  MET  23           HB1      MET  23  14.468   3.620   0.797
  167    HG2  MET  23           HG2      MET  23  16.851   3.512   1.160
  168    HG3  MET  23           HG1      MET  23  16.342   2.264   0.028
  169    HE1  MET  23           HE1      MET  23  19.886   3.083  -1.326
  170    HE2  MET  23           HE2      MET  23  18.769   1.818  -0.815
  171    HE3  MET  23           HE3      MET  23  19.372   2.991   0.358
  172    H    GLU  24           HN       GLU  24  15.428   2.343  -3.193
  173    HA   GLU  24           HA       GLU  24  13.705   0.065  -2.691
  174    HB2  GLU  24           HB2      GLU  24  15.844   0.429  -4.795
  175    HB3  GLU  24           HB1      GLU  24  14.670  -0.879  -4.730
  176    HG2  GLU  24           HG2      GLU  24  12.893   0.949  -4.826
  177    HG3  GLU  24           HG1      GLU  24  14.206   2.021  -5.309
  178    H    ASP  25           HN       ASP  25  14.690  -0.211  -0.546
  179    HA   ASP  25           HA       ASP  25  16.742  -2.297  -0.736
  180    HB2  ASP  25           HB2      ASP  25  17.778  -0.082   0.014
  181    HB3  ASP  25           HB1      ASP  25  16.785  -0.210   1.462
  182    H    GLU  26           HN       GLU  26  16.537  -2.180   2.407
  183    HA   GLU  26           HA       GLU  26  14.426  -4.011   2.734
  184    HB2  GLU  26           HB2      GLU  26  15.855  -2.245   4.718
  185    HB3  GLU  26           HB1      GLU  26  14.606  -3.388   5.198
  186    HG2  GLU  26           HG2      GLU  26  17.221  -4.027   3.860
  187    HG3  GLU  26           HG1      GLU  26  16.768  -4.374   5.530
  188    H    GLU  27           HN       GLU  27  14.537  -0.551   2.763
  189    HA   GLU  27           HA       GLU  27  12.005   0.025   3.818
  190    HB2  GLU  27           HB2      GLU  27  13.692   1.452   1.763
  191    HB3  GLU  27           HB1      GLU  27  12.196   2.113   2.408
  192    HG2  GLU  27           HG2      GLU  27  14.607   1.376   4.037
  193    HG3  GLU  27           HG1      GLU  27  14.199   3.008   3.507
  194    H    ALA  28           HN       ALA  28  13.032  -1.130   0.697
  195    HA   ALA  28           HA       ALA  28  10.713  -0.392  -0.757
  196    HB1  ALA  28           HB1      ALA  28  11.532  -1.874  -2.495
  197    HB2  ALA  28           HB2      ALA  28  12.693  -2.582  -1.371
  198    HB3  ALA  28           HB3      ALA  28  12.849  -0.893  -1.854
  199    H    ASP  29           HN       ASP  29  11.514  -3.084   1.302
  200    HA   ASP  29           HA       ASP  29   9.586  -4.938   0.482
  201    HB2  ASP  29           HB2      ASP  29  11.243  -5.626   2.074
  202    HB3  ASP  29           HB1      ASP  29  10.756  -4.375   3.213
  203    H    LEU  30           HN       LEU  30   9.372  -2.287   2.809
  204    HA   LEU  30           HA       LEU  30   6.692  -2.745   3.561
  205    HB2  LEU  30           HB2      LEU  30   8.448  -0.301   3.689
  206    HB3  LEU  30           HB1      LEU  30   6.784  -0.275   4.236
  207    HG   LEU  30           HG       LEU  30   7.357  -2.103   5.853
  208   HD11  LEU  30          HD11      LEU  30  10.189  -1.461   5.044
  209   HD12  LEU  30          HD12      LEU  30   9.339  -2.970   4.711
  210   HD13  LEU  30          HD13      LEU  30   9.697  -2.507   6.377
  211   HD21  LEU  30          HD21      LEU  30   7.209   0.200   6.582
  212   HD22  LEU  30          HD22      LEU  30   8.876   0.488   6.085
  213   HD23  LEU  30          HD23      LEU  30   8.533  -0.615   7.418
  214    H    ARG  31           HN       ARG  31   8.170  -0.754   1.055
  215    HA   ARG  31           HA       ARG  31   5.718   0.498   0.269
  216    HB2  ARG  31           HB2      ARG  31   8.091   0.263  -1.561
  217    HB3  ARG  31           HB1      ARG  31   6.956   1.594  -1.389
  218    HG2  ARG  31           HG2      ARG  31   9.118   0.817   0.558
  219    HG3  ARG  31           HG1      ARG  31   9.119   2.214  -0.517
  220    HD2  ARG  31           HD2      ARG  31   7.488   3.319   0.718
  221    HD3  ARG  31           HD1      ARG  31   6.920   1.833   1.481
  222    HE   ARG  31           HE       ARG  31   9.634   2.537   2.145
  223   HH11  ARG  31          HH11      ARG  31   6.279   3.054   2.966
  224   HH12  ARG  31          HH12      ARG  31   6.595   3.336   4.649
  225   HH21  ARG  31          HH21      ARG  31  10.071   2.927   4.377
  226   HH22  ARG  31          HH22      ARG  31   8.741   3.285   5.445
  227    H    ARG  32           HN       ARG  32   7.448  -2.376  -0.599
  228    HA   ARG  32           HA       ARG  32   6.038  -2.962  -3.010
  229    HB2  ARG  32           HB2      ARG  32   8.304  -3.825  -2.408
  230    HB3  ARG  32           HB1      ARG  32   7.555  -4.831  -1.180
  231    HG2  ARG  32           HG2      ARG  32   6.368  -6.079  -2.873
  232    HG3  ARG  32           HG1      ARG  32   7.003  -5.016  -4.136
  233    HD2  ARG  32           HD2      ARG  32   9.290  -5.693  -3.510
  234    HD3  ARG  32           HD1      ARG  32   8.620  -6.798  -2.314
  235    HE   ARG  32           HE       ARG  32   7.445  -7.720  -4.495
  236   HH11  ARG  32          HH11      ARG  32  10.744  -6.674  -4.005
  237   HH12  ARG  32          HH12      ARG  32  11.414  -7.768  -5.169
  238   HH21  ARG  32          HH21      ARG  32   8.308  -9.182  -6.037
  239   HH22  ARG  32          HH22      ARG  32  10.027  -9.207  -6.328
  240    H    ALA  33           HN       ALA  33   5.732  -3.970   0.376
  241    HA   ALA  33           HA       ALA  33   3.536  -5.698   0.035
  242    HB1  ALA  33           HB1      ALA  33   4.176  -3.966   2.426
  243    HB2  ALA  33           HB2      ALA  33   4.830  -5.576   2.117
  244    HB3  ALA  33           HB3      ALA  33   3.103  -5.365   2.407
  245    H    ILE  34           HN       ILE  34   3.778  -2.218   0.426
  246    HA   ILE  34           HA       ILE  34   0.982  -1.706   0.513
  247    HB   ILE  34           HB       ILE  34   3.439  -0.061   0.224
  248   HG12  ILE  34          HG12      ILE  34   2.449   1.207   2.001
  249   HG13  ILE  34          HG11      ILE  34   0.884   0.465   1.714
  250   HG21  ILE  34          HG21      ILE  34   0.823   1.259  -0.359
  251   HG22  ILE  34          HG22      ILE  34   1.785   0.570  -1.652
  252   HG23  ILE  34          HG23      ILE  34   2.459   1.850  -0.651
  253   HD11  ILE  34          HD11      ILE  34   2.025  -0.373   3.737
  254   HD12  ILE  34          HD12      ILE  34   3.311  -1.003   2.708
  255   HD13  ILE  34          HD13      ILE  34   1.676  -1.639   2.561
  256    H    GLN  35           HN       GLN  35   3.382  -1.940  -2.040
  257    HA   GLN  35           HA       GLN  35   1.849  -1.034  -4.207
  258    HB2  GLN  35           HB2      GLN  35   4.308  -1.440  -4.234
  259    HB3  GLN  35           HB1      GLN  35   3.994  -3.168  -4.214
  260    HG2  GLN  35           HG2      GLN  35   4.491  -2.555  -6.448
  261    HG3  GLN  35           HG1      GLN  35   2.765  -2.899  -6.361
  262   HE21  GLN  35          HE21      GLN  35   4.327  -1.274  -8.257
  263   HE22  GLN  35          HE22      GLN  35   3.593   0.297  -8.220
  264    H    LEU  36           HN       LEU  36   2.118  -4.187  -2.687
  265    HA   LEU  36           HA       LEU  36   0.430  -5.543  -4.543
  266    HB2  LEU  36           HB2      LEU  36   2.081  -6.772  -3.306
  267    HB3  LEU  36           HB1      LEU  36   1.459  -6.195  -1.777
  268    HG   LEU  36           HG       LEU  36   0.996  -8.625  -2.423
  269   HD11  LEU  36          HD11      LEU  36  -1.480  -8.329  -1.636
  270   HD12  LEU  36          HD12      LEU  36  -0.975  -6.645  -1.404
  271   HD13  LEU  36          HD13      LEU  36  -0.138  -7.952  -0.559
  272   HD21  LEU  36          HD21      LEU  36   0.314  -8.264  -4.727
  273   HD22  LEU  36          HD22      LEU  36  -1.048  -7.282  -4.189
  274   HD23  LEU  36          HD23      LEU  36  -0.998  -9.003  -3.804
  275    H    SER  37           HN       SER  37  -0.010  -4.260  -1.262
  276    HA   SER  37           HA       SER  37  -2.742  -4.930  -1.040
  277    HB2  SER  37           HB2      SER  37  -1.259  -4.467   0.892
  278    HB3  SER  37           HB1      SER  37  -1.201  -2.770   0.421
  279    HG   SER  37           HG       SER  37  -3.666  -3.080   0.536
  280    H    MET  38           HN       MET  38  -1.257  -2.549  -2.922
  281    HA   MET  38           HA       MET  38  -3.312  -0.569  -2.801
  282    HB2  MET  38           HB2      MET  38  -1.011   0.005  -3.408
  283    HB3  MET  38           HB1      MET  38  -1.113  -1.031  -4.826
  284    HG2  MET  38           HG2      MET  38  -2.922   0.386  -5.681
  285    HG3  MET  38           HG1      MET  38  -2.708   1.463  -4.306
  286    HE1  MET  38           HE1      MET  38  -0.070  -0.447  -6.540
  287    HE2  MET  38           HE2      MET  38   0.368   0.821  -7.683
  288    HE3  MET  38           HE3      MET  38  -1.267   0.160  -7.686
  289    H    GLN  39           HN       GLN  39  -2.780  -3.503  -4.531
  290    HA   GLN  39           HA       GLN  39  -5.024  -2.869  -6.320
  291    HB2  GLN  39           HB2      GLN  39  -4.172  -4.697  -7.763
  292    HB3  GLN  39           HB1      GLN  39  -3.025  -3.378  -7.576
  293    HG2  GLN  39           HG2      GLN  39  -1.838  -4.709  -5.870
  294    HG3  GLN  39           HG1      GLN  39  -2.950  -6.041  -6.181
  295   HE21  GLN  39          HE21      GLN  39  -1.757  -3.913  -8.676
  296   HE22  GLN  39          HE22      GLN  39  -0.776  -5.089  -9.476
  297    H    GLY  40           HN       GLY  40  -6.315  -4.897  -6.937
  298    HA2  GLY  40           HA2      GLY  40  -7.061  -7.091  -6.130
  299    HA3  GLY  40           HA1      GLY  40  -6.702  -6.533  -4.502
  300    H    SER  41           HN       SER  41  -8.046  -4.074  -6.347
  301    HA   SER  41           HA       SER  41 -10.575  -4.320  -4.933
  302    HB2  SER  41           HB2      SER  41  -9.604  -2.111  -6.761
  303    HB3  SER  41           HB1      SER  41 -10.988  -2.042  -5.670
  304    HG   SER  41           HG       SER  41  -9.535  -2.273  -3.924
  305    H    SER  42           HN       SER  42 -10.028  -6.224  -6.948
  306    HA   SER  42           HA       SER  42 -12.276  -5.698  -8.749
  307    HB2  SER  42           HB2      SER  42  -9.648  -6.978  -9.544
  308    HB3  SER  42           HB1      SER  42 -11.072  -6.840 -10.576
  309    HG   SER  42           HG       SER  42 -10.430  -4.917 -11.071
  310    H    ARG  43           HN       ARG  43 -13.783  -7.219  -8.550
  311    HA   ARG  43           HA       ARG  43 -13.194  -9.567  -6.954
  312    HB2  ARG  43           HB2      ARG  43 -15.419  -7.923  -7.248
  313    HB3  ARG  43           HB1      ARG  43 -15.889  -9.423  -8.032
  314    HG2  ARG  43           HG2      ARG  43 -14.918  -9.109  -5.199
  315    HG3  ARG  43           HG1      ARG  43 -16.566  -9.463  -5.723
  316    HD2  ARG  43           HD2      ARG  43 -15.795 -11.581  -6.687
  317    HD3  ARG  43           HD1      ARG  43 -14.152 -11.227  -6.152
  318    HE   ARG  43           HE       ARG  43 -15.948 -11.133  -3.964
  319   HH11  ARG  43          HH11      ARG  43 -14.237 -13.347  -6.067
  320   HH12  ARG  43          HH12      ARG  43 -14.350 -14.690  -4.971
  321   HH21  ARG  43          HH21      ARG  43 -16.089 -12.877  -2.495
  322   HH22  ARG  43          HH22      ARG  43 -15.387 -14.416  -2.907
  323    H    ASN  44           HN       ASN  44 -12.119  -9.377  -9.687
  324    HA   ASN  44           HA       ASN  44 -12.650 -12.048 -10.487
  325    HB2  ASN  44           HB2      ASN  44 -14.670 -10.924 -11.448
  326    HB3  ASN  44           HB1      ASN  44 -13.602  -9.908 -12.411
  327   HD21  ASN  44          HD21      ASN  44 -14.932 -13.068 -11.983
  328   HD22  ASN  44          HD22      ASN  44 -14.385 -13.731 -13.484
  329    H    LEU  45           HN       LEU  45 -11.820  -9.048 -12.205
  330    HA   LEU  45           HA       LEU  45  -9.014  -9.546 -12.160
  331    HB2  LEU  45           HB2      LEU  45  -9.610 -11.216 -13.830
  332    HB3  LEU  45           HB1      LEU  45 -10.507 -10.022 -14.744
  333    HG   LEU  45           HG       LEU  45  -8.399  -8.815 -15.207
  334   HD11  LEU  45          HD11      LEU  45  -7.105 -11.161 -13.827
  335   HD12  LEU  45          HD12      LEU  45  -7.132  -9.495 -13.248
  336   HD13  LEU  45          HD13      LEU  45  -6.262  -9.901 -14.727
  337   HD21  LEU  45          HD21      LEU  45  -8.373 -11.731 -15.976
  338   HD22  LEU  45          HD22      LEU  45  -7.490 -10.439 -16.789
  339   HD23  LEU  45          HD23      LEU  45  -9.254 -10.446 -16.804
  340    H    GLU  46           HN       GLU  46 -11.550  -8.066 -14.149
  341    HA   GLU  46           HA       GLU  46  -9.965  -5.631 -14.377
  342    HB2  GLU  46           HB2      GLU  46 -12.612  -6.358 -15.650
  343    HB3  GLU  46           HB1      GLU  46 -11.620  -4.961 -16.045
  344    HG2  GLU  46           HG2      GLU  46  -9.880  -6.373 -16.911
  345    HG3  GLU  46           HG1      GLU  46 -10.744  -7.817 -16.391
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1 -22.799  -0.173   7.004
    2    H2   GLY   1           HT2      GLY   1 -22.449   0.595   5.532
    3    H3   GLY   1           HT3      GLY   1 -22.437   1.482   6.975
    4    HA2  GLY   1           HA1      GLY   1 -20.553   0.213   7.782
    5    HA3  GLY   1           HA2      GLY   1 -20.565  -0.717   6.289
    6    H    SER   2           HN       SER   2 -18.250   0.229   6.516
    7    HA   SER   2           HA       SER   2 -18.183   2.858   5.175
    8    HB2  SER   2           HB2      SER   2 -16.030   1.660   6.930
    9    HB3  SER   2           HB1      SER   2 -16.073   3.293   6.259
   10    HG   SER   2           HG       SER   2 -18.082   3.542   7.517
   11    H    LEU   3           HN       LEU   3 -17.911   2.382   3.061
   12    HA   LEU   3           HA       LEU   3 -15.807   0.445   2.357
   13    HB2  LEU   3           HB2      LEU   3 -17.914   1.629   0.542
   14    HB3  LEU   3           HB1      LEU   3 -16.800   0.335   0.149
   15    HG   LEU   3           HG       LEU   3 -18.012  -0.838   2.187
   16   HD11  LEU   3          HD11      LEU   3 -20.108   1.045   1.128
   17   HD12  LEU   3          HD12      LEU   3 -19.437   1.031   2.759
   18   HD13  LEU   3          HD13      LEU   3 -20.406  -0.330   2.193
   19   HD21  LEU   3          HD21      LEU   3 -19.469  -1.943   0.573
   20   HD22  LEU   3          HD22      LEU   3 -17.851  -1.702  -0.088
   21   HD23  LEU   3          HD23      LEU   3 -19.175  -0.648  -0.587
   22    H    ASP   4           HN       ASP   4 -17.201   3.414   1.086
   23    HA   ASP   4           HA       ASP   4 -14.855   4.178  -0.346
   24    HB2  ASP   4           HB2      ASP   4 -17.185   5.929   0.473
   25    HB3  ASP   4           HB1      ASP   4 -16.060   6.219  -0.850
   26    H    GLU   5           HN       GLU   5 -16.246   4.915   2.750
   27    HA   GLU   5           HA       GLU   5 -14.985   7.165   3.599
   28    HB2  GLU   5           HB2      GLU   5 -15.103   4.803   5.434
   29    HB3  GLU   5           HB1      GLU   5 -15.430   6.495   5.786
   30    HG2  GLU   5           HG2      GLU   5 -17.157   4.783   4.043
   31    HG3  GLU   5           HG1      GLU   5 -17.432   5.010   5.768
   32    H    ASP   6           HN       ASP   6 -13.733   3.867   3.886
   33    HA   ASP   6           HA       ASP   6 -11.149   4.835   4.776
   34    HB2  ASP   6           HB2      ASP   6 -12.158   2.022   4.306
   35    HB3  ASP   6           HB1      ASP   6 -10.589   2.431   4.993
   36    H    GLU   7           HN       GLU   7 -12.661   3.753   1.875
   37    HA   GLU   7           HA       GLU   7 -10.545   2.695   0.419
   38    HB2  GLU   7           HB2      GLU   7 -13.200   3.317  -0.061
   39    HB3  GLU   7           HB1      GLU   7 -12.342   4.389  -1.157
   40    HG2  GLU   7           HG2      GLU   7 -11.739   1.460  -1.050
   41    HG3  GLU   7           HG1      GLU   7 -13.063   2.099  -2.022
   42    H    GLU   8           HN       GLU   8 -11.671   6.053   0.569
   43    HA   GLU   8           HA       GLU   8  -9.816   7.149  -1.207
   44    HB2  GLU   8           HB2      GLU   8 -11.120   8.488   1.160
   45    HB3  GLU   8           HB1      GLU   8 -10.441   9.295  -0.250
   46    HG2  GLU   8           HG2      GLU   8 -12.140   8.383  -1.662
   47    HG3  GLU   8           HG1      GLU   8 -12.750   7.369  -0.355
   48    H    ASP   9           HN       ASP   9  -9.669   6.729   2.304
   49    HA   ASP   9           HA       ASP   9  -7.191   8.162   2.527
   50    HB2  ASP   9           HB2      ASP   9  -8.873   8.123   4.356
   51    HB3  ASP   9           HB1      ASP   9  -8.546   6.407   4.586
   52    H    LEU  10           HN       LEU  10  -8.135   4.849   2.081
   53    HA   LEU  10           HA       LEU  10  -5.678   3.641   2.843
   54    HB2  LEU  10           HB2      LEU  10  -7.983   2.545   2.434
   55    HB3  LEU  10           HB1      LEU  10  -7.543   2.557   0.741
   56    HG   LEU  10           HG       LEU  10  -7.162   0.381   1.941
   57   HD11  LEU  10          HD11      LEU  10  -4.710   1.663   0.753
   58   HD12  LEU  10          HD12      LEU  10  -6.018   0.903  -0.153
   59   HD13  LEU  10          HD13      LEU  10  -5.007  -0.068   0.918
   60   HD21  LEU  10          HD21      LEU  10  -5.279   0.163   3.415
   61   HD22  LEU  10          HD22      LEU  10  -6.370   1.399   4.047
   62   HD23  LEU  10          HD23      LEU  10  -4.884   1.870   3.225
   63    H    GLN  11           HN       GLN  11  -7.011   4.637  -0.305
   64    HA   GLN  11           HA       GLN  11  -4.735   4.125  -1.856
   65    HB2  GLN  11           HB2      GLN  11  -6.807   6.306  -2.165
   66    HB3  GLN  11           HB1      GLN  11  -5.648   5.840  -3.402
   67    HG2  GLN  11           HG2      GLN  11  -7.749   4.028  -2.239
   68    HG3  GLN  11           HG1      GLN  11  -7.893   4.902  -3.764
   69   HE21  GLN  11          HE21      GLN  11  -6.439   2.229  -2.121
   70   HE22  GLN  11          HE22      GLN  11  -5.751   1.482  -3.519
   71    H    ARG  12           HN       ARG  12  -5.732   6.989  -0.067
   72    HA   ARG  12           HA       ARG  12  -3.588   8.669  -0.621
   73    HB2  ARG  12           HB2      ARG  12  -5.607   9.447   0.471
   74    HB3  ARG  12           HB1      ARG  12  -5.299   8.415   1.856
   75    HG2  ARG  12           HG2      ARG  12  -3.355  10.561   1.097
   76    HG3  ARG  12           HG1      ARG  12  -4.810  10.938   2.026
   77    HD2  ARG  12           HD2      ARG  12  -4.123   9.158   3.645
   78    HD3  ARG  12           HD1      ARG  12  -2.606   9.028   2.755
   79    HE   ARG  12           HE       ARG  12  -2.112  11.310   3.429
   80   HH11  ARG  12          HH11      ARG  12  -4.785   9.743   5.055
   81   HH12  ARG  12          HH12      ARG  12  -4.612  10.663   6.518
   82   HH21  ARG  12          HH21      ARG  12  -1.838  12.507   5.374
   83   HH22  ARG  12          HH22      ARG  12  -2.938  12.241   6.700
   84    H    ALA  13           HN       ALA  13  -3.947   6.298   2.007
   85    HA   ALA  13           HA       ALA  13  -1.487   6.750   3.248
   86    HB1  ALA  13           HB1      ALA  13  -1.773   4.563   4.273
   87    HB2  ALA  13           HB2      ALA  13  -3.017   4.156   3.090
   88    HB3  ALA  13           HB3      ALA  13  -3.301   5.446   4.258
   89    H    LEU  14           HN       LEU  14  -2.343   4.516   0.624
   90    HA   LEU  14           HA       LEU  14   0.171   3.291   0.365
   91    HB2  LEU  14           HB2      LEU  14  -1.910   3.842  -1.756
   92    HB3  LEU  14           HB1      LEU  14  -0.538   2.768  -1.957
   93    HG   LEU  14           HG       LEU  14  -2.820   2.386  -0.018
   94   HD11  LEU  14          HD11      LEU  14  -2.067   0.904  -2.532
   95   HD12  LEU  14          HD12      LEU  14  -3.454   1.974  -2.330
   96   HD13  LEU  14          HD13      LEU  14  -3.369   0.463  -1.425
   97   HD21  LEU  14          HD21      LEU  14  -1.795   0.223   0.460
   98   HD22  LEU  14          HD22      LEU  14  -0.716   1.549   0.892
   99   HD23  LEU  14          HD23      LEU  14  -0.434   0.631  -0.587
  100    H    ALA  15           HN       ALA  15  -1.204   6.067  -1.397
  101    HA   ALA  15           HA       ALA  15   1.152   6.620  -2.874
  102    HB1  ALA  15           HB1      ALA  15   0.058   8.714  -3.473
  103    HB2  ALA  15           HB2      ALA  15  -1.148   8.458  -2.213
  104    HB3  ALA  15           HB3      ALA  15  -1.069   7.363  -3.592
  105    H    LEU  16           HN       LEU  16   0.086   7.446   0.306
  106    HA   LEU  16           HA       LEU  16   1.665   9.687   0.844
  107    HB2  LEU  16           HB2      LEU  16  -0.206   8.621   2.224
  108    HB3  LEU  16           HB1      LEU  16   1.000   7.494   2.803
  109    HG   LEU  16           HG       LEU  16   1.284  10.471   3.173
  110   HD11  LEU  16          HD11      LEU  16   0.156   8.522   5.168
  111   HD12  LEU  16          HD12      LEU  16  -0.855   9.534   4.139
  112   HD13  LEU  16          HD13      LEU  16   0.249  10.278   5.303
  113   HD21  LEU  16          HD21      LEU  16   2.847   9.878   4.881
  114   HD22  LEU  16          HD22      LEU  16   3.278   8.961   3.432
  115   HD23  LEU  16          HD23      LEU  16   2.420   8.172   4.754
  116    H    SER  17           HN       SER  17   2.322   6.252   1.586
  117    HA   SER  17           HA       SER  17   5.005   6.662   2.350
  118    HB2  SER  17           HB2      SER  17   3.703   4.145   1.279
  119    HB3  SER  17           HB1      SER  17   5.220   4.226   2.178
  120    HG   SER  17           HG       SER  17   4.107   4.921   3.982
  121    H    ARG  18           HN       ARG  18   3.476   6.157  -0.724
  122    HA   ARG  18           HA       ARG  18   5.750   5.461  -2.234
  123    HB2  ARG  18           HB2      ARG  18   3.130   6.728  -3.024
  124    HB3  ARG  18           HB1      ARG  18   4.377   6.315  -4.194
  125    HG2  ARG  18           HG2      ARG  18   4.192   4.003  -3.711
  126    HG3  ARG  18           HG1      ARG  18   3.185   4.310  -2.296
  127    HD2  ARG  18           HD2      ARG  18   1.807   3.525  -4.117
  128    HD3  ARG  18           HD1      ARG  18   1.432   5.212  -3.774
  129    HE   ARG  18           HE       ARG  18   3.333   5.251  -5.783
  130   HH11  ARG  18          HH11      ARG  18   0.092   3.976  -5.361
  131   HH12  ARG  18          HH12      ARG  18  -0.329   4.112  -7.041
  132   HH21  ARG  18          HH21      ARG  18   2.786   5.451  -7.982
  133   HH22  ARG  18          HH22      ARG  18   1.225   4.926  -8.542
  134    H    GLN  19           HN       GLN  19   4.191   8.622  -1.682
  135    HA   GLN  19           HA       GLN  19   6.156  10.029  -3.216
  136    HB2  GLN  19           HB2      GLN  19   5.075  12.053  -2.417
  137    HB3  GLN  19           HB1      GLN  19   3.870  10.882  -2.935
  138    HG2  GLN  19           HG2      GLN  19   3.483  10.270  -0.589
  139    HG3  GLN  19           HG1      GLN  19   4.665  11.483  -0.095
  140   HE21  GLN  19          HE21      GLN  19   1.497  10.923  -1.386
  141   HE22  GLN  19          HE22      GLN  19   0.900  12.530  -1.160
  142    H    GLU  20           HN       GLU  20   6.244   8.659  -0.179
  143    HA   GLU  20           HA       GLU  20   8.183  10.499   0.954
  144    HB2  GLU  20           HB2      GLU  20   7.062   7.843   1.841
  145    HB3  GLU  20           HB1      GLU  20   8.337   8.680   2.725
  146    HG2  GLU  20           HG2      GLU  20   6.818  10.597   3.025
  147    HG3  GLU  20           HG1      GLU  20   5.551   9.681   2.207
  148    H    ILE  21           HN       ILE  21   8.119   7.821  -1.130
  149    HA   ILE  21           HA       ILE  21   9.590   6.294  -1.887
  150    HB   ILE  21           HB       ILE  21  11.571   8.514  -1.329
  151   HG12  ILE  21          HG12      ILE  21  11.517   8.731  -3.826
  152   HG13  ILE  21          HG11      ILE  21  10.220   7.546  -3.862
  153   HG21  ILE  21          HG21      ILE  21  12.003   6.022  -2.979
  154   HG22  ILE  21          HG22      ILE  21  12.672   6.282  -1.370
  155   HG23  ILE  21          HG23      ILE  21  13.164   7.322  -2.709
  156   HD11  ILE  21          HD11      ILE  21  10.119  10.270  -2.591
  157   HD12  ILE  21          HD12      ILE  21   8.822   9.074  -2.561
  158   HD13  ILE  21          HD13      ILE  21   9.342   9.772  -4.096
  159    H    ASP  22           HN       ASP  22   9.047   4.966  -0.112
  160    HA   ASP  22           HA       ASP  22  10.812   4.808   2.154
  161    HB2  ASP  22           HB2      ASP  22   9.439   2.749   2.666
  162    HB3  ASP  22           HB1      ASP  22   8.528   4.249   2.554
  163    H    MET  23           HN       MET  23  12.800   4.538   1.057
  164    HA   MET  23           HA       MET  23  13.223   1.817   0.042
  165    HB2  MET  23           HB2      MET  23  13.062   3.312  -1.881
  166    HB3  MET  23           HB1      MET  23  14.285   4.366  -1.187
  167    HG2  MET  23           HG2      MET  23  15.168   2.932  -2.970
  168    HG3  MET  23           HG1      MET  23  15.963   2.658  -1.420
  169    HE1  MET  23           HE1      MET  23  16.046  -0.899  -3.010
  170    HE2  MET  23           HE2      MET  23  16.988   0.411  -2.296
  171    HE3  MET  23           HE3      MET  23  16.216   0.635  -3.865
  172    H    GLU  24           HN       GLU  24  14.753   0.802   1.089
  173    HA   GLU  24           HA       GLU  24  17.345   1.824   1.451
  174    HB2  GLU  24           HB2      GLU  24  16.277   3.019   3.352
  175    HB3  GLU  24           HB1      GLU  24  15.787   1.470   4.022
  176    HG2  GLU  24           HG2      GLU  24  17.738   2.253   5.170
  177    HG3  GLU  24           HG1      GLU  24  18.161   0.835   4.214
  178    H    ASP  25           HN       ASP  25  15.653  -0.316   3.724
  179    HA   ASP  25           HA       ASP  25  16.711  -2.648   2.292
  180    HB2  ASP  25           HB2      ASP  25  17.273  -1.978   5.175
  181    HB3  ASP  25           HB1      ASP  25  17.368  -3.626   4.567
  182    H    GLU  26           HN       GLU  26  15.214  -2.184   5.481
  183    HA   GLU  26           HA       GLU  26  13.505  -4.443   4.983
  184    HB2  GLU  26           HB2      GLU  26  13.713  -2.601   7.366
  185    HB3  GLU  26           HB1      GLU  26  12.694  -4.033   7.299
  186    HG2  GLU  26           HG2      GLU  26  15.695  -3.958   7.106
  187    HG3  GLU  26           HG1      GLU  26  14.737  -4.515   8.477
  188    H    GLU  27           HN       GLU  27  13.164  -0.961   5.075
  189    HA   GLU  27           HA       GLU  27  10.328  -0.926   5.053
  190    HB2  GLU  27           HB2      GLU  27  10.632   1.407   4.063
  191    HB3  GLU  27           HB1      GLU  27  11.294   1.118   5.662
  192    HG2  GLU  27           HG2      GLU  27  12.995   0.903   3.208
  193    HG3  GLU  27           HG1      GLU  27  12.684   2.452   3.991
  194    H    ALA  28           HN       ALA  28  12.705  -1.521   2.628
  195    HA   ALA  28           HA       ALA  28  11.152  -1.049   0.327
  196    HB1  ALA  28           HB1      ALA  28  12.722  -2.507  -0.824
  197    HB2  ALA  28           HB2      ALA  28  13.323  -3.109   0.721
  198    HB3  ALA  28           HB3      ALA  28  13.582  -1.424   0.268
  199    H    ASP  29           HN       ASP  29  11.045  -3.542   2.729
  200    HA   ASP  29           HA       ASP  29   9.505  -5.373   1.135
  201    HB2  ASP  29           HB2      ASP  29  10.818  -6.233   3.002
  202    HB3  ASP  29           HB1      ASP  29   9.895  -5.245   4.132
  203    H    LEU  30           HN       LEU  30   8.852  -2.738   3.349
  204    HA   LEU  30           HA       LEU  30   6.039  -3.095   3.486
  205    HB2  LEU  30           HB2      LEU  30   7.803  -0.675   3.850
  206    HB3  LEU  30           HB1      LEU  30   6.057  -0.570   3.954
  207    HG   LEU  30           HG       LEU  30   6.162  -2.271   5.814
  208   HD11  LEU  30          HD11      LEU  30   9.105  -1.632   5.721
  209   HD12  LEU  30          HD12      LEU  30   8.375  -3.186   5.319
  210   HD13  LEU  30          HD13      LEU  30   8.279  -2.566   6.967
  211   HD21  LEU  30          HD21      LEU  30   5.835   0.090   6.248
  212   HD22  LEU  30          HD22      LEU  30   7.578   0.360   6.204
  213   HD23  LEU  30          HD23      LEU  30   6.871  -0.624   7.485
  214    H    ARG  31           HN       ARG  31   8.180  -1.227   1.387
  215    HA   ARG  31           HA       ARG  31   6.367  -0.103  -0.369
  216    HB2  ARG  31           HB2      ARG  31   8.863   0.202  -0.354
  217    HB3  ARG  31           HB1      ARG  31   9.008  -1.366  -1.135
  218    HG2  ARG  31           HG2      ARG  31   9.201   0.349  -2.785
  219    HG3  ARG  31           HG1      ARG  31   7.669  -0.495  -3.023
  220    HD2  ARG  31           HD2      ARG  31   6.476   1.288  -1.912
  221    HD3  ARG  31           HD1      ARG  31   7.991   2.112  -1.544
  222    HE   ARG  31           HE       ARG  31   7.350   1.627  -4.353
  223   HH11  ARG  31          HH11      ARG  31   7.551   3.865  -1.652
  224   HH12  ARG  31          HH12      ARG  31   7.503   5.279  -2.673
  225   HH21  ARG  31          HH21      ARG  31   7.281   3.482  -5.685
  226   HH22  ARG  31          HH22      ARG  31   7.337   5.068  -4.961
  227    H    ARG  32           HN       ARG  32   7.836  -3.310  -0.471
  228    HA   ARG  32           HA       ARG  32   6.629  -4.366  -2.734
  229    HB2  ARG  32           HB2      ARG  32   8.437  -5.424  -1.408
  230    HB3  ARG  32           HB1      ARG  32   7.278  -5.778  -0.140
  231    HG2  ARG  32           HG2      ARG  32   6.051  -7.235  -1.688
  232    HG3  ARG  32           HG1      ARG  32   7.255  -6.894  -2.937
  233    HD2  ARG  32           HD2      ARG  32   9.004  -7.760  -1.396
  234    HD3  ARG  32           HD1      ARG  32   7.729  -8.224  -0.273
  235    HE   ARG  32           HE       ARG  32   6.999  -9.480  -2.546
  236   HH11  ARG  32          HH11      ARG  32  10.005  -9.312  -0.752
  237   HH12  ARG  32          HH12      ARG  32  10.542 -10.891  -1.250
  238   HH21  ARG  32          HH21      ARG  32   7.701 -11.562  -3.209
  239   HH22  ARG  32          HH22      ARG  32   9.226 -12.175  -2.639
  240    H    ALA  33           HN       ALA  33   5.429  -4.116   0.570
  241    HA   ALA  33           HA       ALA  33   3.042  -5.602   0.153
  242    HB1  ALA  33           HB1      ALA  33   3.669  -3.555   2.278
  243    HB2  ALA  33           HB2      ALA  33   4.017  -5.281   2.373
  244    HB3  ALA  33           HB3      ALA  33   2.345  -4.722   2.317
  245    H    ILE  34           HN       ILE  34   3.880  -2.186  -0.150
  246    HA   ILE  34           HA       ILE  34   1.241  -1.208  -0.499
  247    HB   ILE  34           HB       ILE  34   3.973  -0.142  -1.013
  248   HG12  ILE  34          HG12      ILE  34   2.965   1.843   0.169
  249   HG13  ILE  34          HG11      ILE  34   1.477   0.916   0.319
  250   HG21  ILE  34          HG21      ILE  34   3.152   1.817  -2.212
  251   HG22  ILE  34          HG22      ILE  34   1.542   1.104  -2.291
  252   HG23  ILE  34          HG23      ILE  34   2.886   0.342  -3.142
  253   HD11  ILE  34          HD11      ILE  34   4.146   0.239   1.526
  254   HD12  ILE  34          HD12      ILE  34   2.709  -0.779   1.610
  255   HD13  ILE  34          HD13      ILE  34   2.706   0.811   2.370
  256    H    GLN  35           HN       GLN  35   3.692  -2.450  -2.675
  257    HA   GLN  35           HA       GLN  35   2.359  -2.033  -5.116
  258    HB2  GLN  35           HB2      GLN  35   4.730  -2.669  -4.963
  259    HB3  GLN  35           HB1      GLN  35   4.271  -4.245  -4.335
  260    HG2  GLN  35           HG2      GLN  35   3.045  -4.640  -6.485
  261    HG3  GLN  35           HG1      GLN  35   3.775  -3.156  -7.092
  262   HE21  GLN  35          HE21      GLN  35   5.413  -5.351  -4.935
  263   HE22  GLN  35          HE22      GLN  35   6.572  -5.937  -6.080
  264    H    LEU  36           HN       LEU  36   2.188  -4.626  -2.745
  265    HA   LEU  36           HA       LEU  36   0.488  -6.302  -4.315
  266    HB2  LEU  36           HB2      LEU  36   1.954  -7.281  -2.681
  267    HB3  LEU  36           HB1      LEU  36   1.294  -6.285  -1.405
  268    HG   LEU  36           HG       LEU  36   0.662  -8.756  -1.437
  269   HD11  LEU  36          HD11      LEU  36  -1.842  -8.069  -1.008
  270   HD12  LEU  36          HD12      LEU  36  -1.157  -6.436  -1.114
  271   HD13  LEU  36          HD13      LEU  36  -0.545  -7.581   0.086
  272   HD21  LEU  36          HD21      LEU  36  -1.141  -7.796  -3.654
  273   HD22  LEU  36          HD22      LEU  36  -1.252  -9.357  -2.840
  274   HD23  LEU  36          HD23      LEU  36   0.170  -8.965  -3.809
  275    H    SER  37           HN       SER  37  -0.015  -4.152  -1.539
  276    HA   SER  37           HA       SER  37  -2.787  -4.517  -1.307
  277    HB2  SER  37           HB2      SER  37  -1.400  -3.533   0.475
  278    HB3  SER  37           HB1      SER  37  -1.110  -2.114  -0.530
  279    HG   SER  37           HG       SER  37  -3.629  -2.183  -0.518
  280    H    MET  38           HN       MET  38  -1.055  -2.981  -3.766
  281    HA   MET  38           HA       MET  38  -2.863  -0.917  -4.446
  282    HB2  MET  38           HB2      MET  38  -0.586  -0.887  -5.268
  283    HB3  MET  38           HB1      MET  38  -0.824  -2.423  -6.092
  284    HG2  MET  38           HG2      MET  38  -2.473  -1.376  -7.545
  285    HG3  MET  38           HG1      MET  38  -2.206   0.168  -6.741
  286    HE1  MET  38           HE1      MET  38  -2.022  -0.087  -9.877
  287    HE2  MET  38           HE2      MET  38  -0.549   0.828 -10.200
  288    HE3  MET  38           HE3      MET  38  -1.695   1.403  -8.990
  289    H    GLN  39           HN       GLN  39  -2.737  -4.349  -5.086
  290    HA   GLN  39           HA       GLN  39  -5.045  -4.099  -6.894
  291    HB2  GLN  39           HB2      GLN  39  -4.553  -6.314  -7.687
  292    HB3  GLN  39           HB1      GLN  39  -3.061  -5.386  -7.715
  293    HG2  GLN  39           HG2      GLN  39  -2.331  -6.458  -5.663
  294    HG3  GLN  39           HG1      GLN  39  -3.846  -7.356  -5.577
  295   HE21  GLN  39          HE21      GLN  39  -1.134  -8.359  -5.717
  296   HE22  GLN  39          HE22      GLN  39  -1.055  -9.365  -7.124
  297    H    GLY  40           HN       GLY  40  -6.869  -5.502  -6.584
  298    HA2  GLY  40           HA2      GLY  40  -7.665  -5.768  -3.866
  299    HA3  GLY  40           HA1      GLY  40  -8.539  -6.383  -5.263
  300    H    SER  41           HN       SER  41  -6.824  -7.212  -2.531
  301    HA   SER  41           HA       SER  41  -5.514  -9.566  -3.437
  302    HB2  SER  41           HB2      SER  41  -5.529  -9.931  -0.806
  303    HB3  SER  41           HB1      SER  41  -4.479  -8.737  -1.567
  304    HG   SER  41           HG       SER  41  -5.726  -7.961   0.272
  305    H    SER  42           HN       SER  42  -7.741 -10.098  -4.510
  306    HA   SER  42           HA       SER  42  -8.807 -12.324  -2.929
  307    HB2  SER  42           HB2      SER  42 -10.487 -10.359  -4.509
  308    HB3  SER  42           HB1      SER  42 -11.090 -11.864  -3.817
  309    HG   SER  42           HG       SER  42  -9.764 -10.008  -2.170
  310    H    ARG  43           HN       ARG  43  -7.734 -10.959  -5.872
  311    HA   ARG  43           HA       ARG  43  -7.832 -13.562  -7.156
  312    HB2  ARG  43           HB2      ARG  43  -8.725 -12.601  -9.258
  313    HB3  ARG  43           HB1      ARG  43  -9.891 -12.558  -7.946
  314    HG2  ARG  43           HG2      ARG  43  -9.485 -10.206  -7.603
  315    HG3  ARG  43           HG1      ARG  43  -8.203 -10.222  -8.814
  316    HD2  ARG  43           HD2      ARG  43 -11.090 -10.889  -9.367
  317    HD3  ARG  43           HD1      ARG  43 -10.361  -9.309  -9.647
  318    HE   ARG  43           HE       ARG  43  -8.747 -10.972 -11.044
  319   HH11  ARG  43          HH11      ARG  43 -12.234 -10.665 -10.957
  320   HH12  ARG  43          HH12      ARG  43 -12.434 -11.026 -12.648
  321   HH21  ARG  43          HH21      ARG  43  -9.011 -11.407 -13.281
  322   HH22  ARG  43          HH22      ARG  43 -10.610 -11.419 -13.962
  323    H    ASN  44           HN       ASN  44  -6.609 -13.416  -9.308
  324    HA   ASN  44           HA       ASN  44  -4.621 -13.125 -10.342
  325    HB2  ASN  44           HB2      ASN  44  -5.608 -10.896 -10.821
  326    HB3  ASN  44           HB1      ASN  44  -4.842 -10.268  -9.366
  327   HD21  ASN  44          HD21      ASN  44  -2.677  -9.838  -9.366
  328   HD22  ASN  44          HD22      ASN  44  -1.700  -9.869 -10.800
  329    H    LEU  45           HN       LEU  45  -3.863 -14.545  -8.603
  330    HA   LEU  45           HA       LEU  45  -2.195 -13.355  -6.568
  331    HB2  LEU  45           HB2      LEU  45  -1.709 -15.583  -5.845
  332    HB3  LEU  45           HB1      LEU  45  -3.425 -15.482  -6.175
  333    HG   LEU  45           HG       LEU  45  -1.443 -16.669  -8.118
  334   HD11  LEU  45          HD11      LEU  45  -1.383 -17.935  -6.052
  335   HD12  LEU  45          HD12      LEU  45  -2.214 -18.851  -7.309
  336   HD13  LEU  45          HD13      LEU  45  -3.143 -18.044  -6.044
  337   HD21  LEU  45          HD21      LEU  45  -4.441 -16.937  -7.903
  338   HD22  LEU  45          HD22      LEU  45  -3.406 -17.681  -9.122
  339   HD23  LEU  45          HD23      LEU  45  -3.590 -15.928  -9.072
  340    H    GLU  46           HN       GLU  46  -1.928 -14.202  -9.799
  341    HA   GLU  46           HA       GLU  46  -0.271 -14.176 -11.324
  342    HB2  GLU  46           HB2      GLU  46   0.386 -12.091 -10.013
  343    HB3  GLU  46           HB1      GLU  46   1.577 -13.096  -9.200
  344    HG2  GLU  46           HG2      GLU  46   2.620 -13.599 -11.351
  345    HG3  GLU  46           HG1      GLU  46   1.430 -12.580 -12.159
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1 -24.128   2.508  -1.018
    2    H2   GLY   1           HT2      GLY   1 -24.320   2.001   0.587
    3    H3   GLY   1           HT3      GLY   1 -24.207   0.850  -0.657
    4    HA2  GLY   1           HA1      GLY   1 -22.138   0.996   0.580
    5    HA3  GLY   1           HA2      GLY   1 -21.941   1.473  -1.100
    6    H    SER   2           HN       SER   2 -20.894   2.224   1.823
    7    HA   SER   2           HA       SER   2 -20.627   5.078   1.150
    8    HB2  SER   2           HB2      SER   2 -20.838   3.985   3.963
    9    HB3  SER   2           HB1      SER   2 -20.805   5.678   3.476
   10    HG   SER   2           HG       SER   2 -22.877   3.814   3.341
   11    H    LEU   3           HN       LEU   3 -18.941   2.655   0.699
   12    HA   LEU   3           HA       LEU   3 -16.775   2.803   2.568
   13    HB2  LEU   3           HB2      LEU   3 -15.685   1.175   1.009
   14    HB3  LEU   3           HB1      LEU   3 -17.211   0.671   1.704
   15    HG   LEU   3           HG       LEU   3 -18.242   1.545  -0.496
   16   HD11  LEU   3          HD11      LEU   3 -16.566   1.104  -2.393
   17   HD12  LEU   3          HD12      LEU   3 -15.334   1.406  -1.160
   18   HD13  LEU   3          HD13      LEU   3 -16.511   2.657  -1.559
   19   HD21  LEU   3          HD21      LEU   3 -18.226  -0.783   0.166
   20   HD22  LEU   3          HD22      LEU   3 -16.566  -0.954  -0.400
   21   HD23  LEU   3          HD23      LEU   3 -17.861  -0.636  -1.554
   22    H    ASP   4           HN       ASP   4 -17.648   4.644  -0.049
   23    HA   ASP   4           HA       ASP   4 -15.204   5.219  -1.316
   24    HB2  ASP   4           HB2      ASP   4 -17.536   7.097  -0.878
   25    HB3  ASP   4           HB1      ASP   4 -16.311   7.220  -2.140
   26    H    GLU   5           HN       GLU   5 -16.691   6.409   1.601
   27    HA   GLU   5           HA       GLU   5 -15.176   8.636   2.206
   28    HB2  GLU   5           HB2      GLU   5 -17.122   7.701   3.498
   29    HB3  GLU   5           HB1      GLU   5 -16.024   6.512   4.182
   30    HG2  GLU   5           HG2      GLU   5 -16.301   8.267   5.762
   31    HG3  GLU   5           HG1      GLU   5 -14.670   8.379   5.103
   32    H    ASP   6           HN       ASP   6 -14.495   5.272   3.138
   33    HA   ASP   6           HA       ASP   6 -11.890   5.909   4.149
   34    HB2  ASP   6           HB2      ASP   6 -13.201   3.250   3.564
   35    HB3  ASP   6           HB1      ASP   6 -11.613   3.421   4.301
   36    H    GLU   7           HN       GLU   7 -13.203   4.737   1.140
   37    HA   GLU   7           HA       GLU   7 -11.046   3.462   0.011
   38    HB2  GLU   7           HB2      GLU   7 -13.560   4.369  -0.856
   39    HB3  GLU   7           HB1      GLU   7 -12.395   5.049  -1.986
   40    HG2  GLU   7           HG2      GLU   7 -12.455   2.143  -1.241
   41    HG3  GLU   7           HG1      GLU   7 -13.343   2.811  -2.609
   42    H    GLU   8           HN       GLU   8 -11.876   6.890  -0.546
   43    HA   GLU   8           HA       GLU   8  -9.596   7.471  -2.058
   44    HB2  GLU   8           HB2      GLU   8 -11.241   9.354  -0.369
   45    HB3  GLU   8           HB1      GLU   8 -10.140   9.821  -1.662
   46    HG2  GLU   8           HG2      GLU   8 -11.575   8.398  -3.192
   47    HG3  GLU   8           HG1      GLU   8 -12.747   8.349  -1.878
   48    H    ASP   9           HN       ASP   9 -10.135   7.577   1.410
   49    HA   ASP   9           HA       ASP   9  -7.722   8.985   2.014
   50    HB2  ASP   9           HB2      ASP   9  -9.669   9.003   3.526
   51    HB3  ASP   9           HB1      ASP   9  -9.467   7.275   3.800
   52    H    LEU  10           HN       LEU  10  -8.705   5.583   2.150
   53    HA   LEU  10           HA       LEU  10  -6.270   4.594   3.175
   54    HB2  LEU  10           HB2      LEU  10  -8.535   3.449   3.124
   55    HB3  LEU  10           HB1      LEU  10  -8.222   3.081   1.444
   56    HG   LEU  10           HG       LEU  10  -7.794   1.225   3.105
   57   HD11  LEU  10          HD11      LEU  10  -5.737   0.458   2.020
   58   HD12  LEU  10          HD12      LEU  10  -5.494   2.074   1.354
   59   HD13  LEU  10          HD13      LEU  10  -6.888   1.117   0.856
   60   HD21  LEU  10          HD21      LEU  10  -5.737   1.278   4.369
   61   HD22  LEU  10          HD22      LEU  10  -6.767   2.640   4.817
   62   HD23  LEU  10          HD23      LEU  10  -5.378   2.896   3.762
   63    H    GLN  11           HN       GLN  11  -7.499   4.869  -0.163
   64    HA   GLN  11           HA       GLN  11  -5.257   3.682  -1.388
   65    HB2  GLN  11           HB2      GLN  11  -6.068   4.564  -3.455
   66    HB3  GLN  11           HB1      GLN  11  -7.466   4.107  -2.496
   67    HG2  GLN  11           HG2      GLN  11  -7.688   6.499  -1.825
   68    HG3  GLN  11           HG1      GLN  11  -6.417   6.879  -2.984
   69   HE21  GLN  11          HE21      GLN  11  -8.883   4.433  -3.458
   70   HE22  GLN  11          HE22      GLN  11  -9.710   5.245  -4.744
   71    H    ARG  12           HN       ARG  12  -5.923   6.995  -0.378
   72    HA   ARG  12           HA       ARG  12  -3.586   8.141  -1.487
   73    HB2  ARG  12           HB2      ARG  12  -5.450   9.535  -0.762
   74    HB3  ARG  12           HB1      ARG  12  -5.230   9.004   0.900
   75    HG2  ARG  12           HG2      ARG  12  -4.332  11.248   0.513
   76    HG3  ARG  12           HG1      ARG  12  -3.080  10.105   1.002
   77    HD2  ARG  12           HD2      ARG  12  -2.429   9.838  -1.354
   78    HD3  ARG  12           HD1      ARG  12  -3.656  11.020  -1.815
   79    HE   ARG  12           HE       ARG  12  -1.798  12.009   0.136
   80   HH11  ARG  12          HH11      ARG  12  -2.330  11.503  -3.292
   81   HH12  ARG  12          HH12      ARG  12  -1.234  12.762  -3.773
   82   HH21  ARG  12          HH21      ARG  12  -0.366  13.659  -0.486
   83   HH22  ARG  12          HH22      ARG  12  -0.103  13.985  -2.175
   84    H    ALA  13           HN       ALA  13  -4.293   6.740   1.694
   85    HA   ALA  13           HA       ALA  13  -1.856   7.227   2.942
   86    HB1  ALA  13           HB1      ALA  13  -2.422   5.394   4.439
   87    HB2  ALA  13           HB2      ALA  13  -3.657   4.837   3.310
   88    HB3  ALA  13           HB3      ALA  13  -3.836   6.396   4.114
   89    H    LEU  14           HN       LEU  14  -2.766   4.636   0.717
   90    HA   LEU  14           HA       LEU  14  -0.393   3.118   0.964
   91    HB2  LEU  14           HB2      LEU  14  -2.240   3.420  -1.409
   92    HB3  LEU  14           HB1      LEU  14  -0.988   2.196  -1.251
   93    HG   LEU  14           HG       LEU  14  -3.321   2.442   0.648
   94   HD11  LEU  14          HD11      LEU  14  -4.292   0.548  -0.544
   95   HD12  LEU  14          HD12      LEU  14  -2.983   0.613  -1.722
   96   HD13  LEU  14          HD13      LEU  14  -4.127   1.949  -1.602
   97   HD21  LEU  14          HD21      LEU  14  -2.677   0.167   1.280
   98   HD22  LEU  14          HD22      LEU  14  -1.362   1.308   1.561
   99   HD23  LEU  14          HD23      LEU  14  -1.318   0.240   0.159
  100    H    ALA  15           HN       ALA  15  -1.343   5.590  -1.418
  101    HA   ALA  15           HA       ALA  15   1.111   5.766  -2.766
  102    HB1  ALA  15           HB1      ALA  15  -0.555   8.204  -2.372
  103    HB2  ALA  15           HB2      ALA  15  -1.245   6.832  -3.225
  104    HB3  ALA  15           HB3      ALA  15   0.223   7.595  -3.837
  105    H    LEU  16           HN       LEU  16  -0.152   7.421   0.037
  106    HA   LEU  16           HA       LEU  16   1.850   9.240   0.603
  107    HB2  LEU  16           HB2      LEU  16  -0.386   8.894   1.736
  108    HB3  LEU  16           HB1      LEU  16   0.346   7.580   2.627
  109    HG   LEU  16           HG       LEU  16   1.371  10.413   2.794
  110   HD11  LEU  16          HD11      LEU  16  -0.493   9.081   4.743
  111   HD12  LEU  16          HD12      LEU  16  -1.069  10.117   3.436
  112   HD13  LEU  16          HD13      LEU  16   0.001  10.774   4.680
  113   HD21  LEU  16          HD21      LEU  16   2.414   9.670   4.825
  114   HD22  LEU  16          HD22      LEU  16   2.857   8.545   3.540
  115   HD23  LEU  16          HD23      LEU  16   1.620   8.099   4.716
  116    H    SER  17           HN       SER  17   1.566   5.904   1.814
  117    HA   SER  17           HA       SER  17   4.022   5.874   3.172
  118    HB2  SER  17           HB2      SER  17   2.536   3.512   1.994
  119    HB3  SER  17           HB1      SER  17   3.717   3.464   3.303
  120    HG   SER  17           HG       SER  17   1.126   4.617   3.315
  121    H    ARG  18           HN       ARG  18   3.197   5.291  -0.156
  122    HA   ARG  18           HA       ARG  18   5.587   4.023  -0.974
  123    HB2  ARG  18           HB2      ARG  18   3.464   5.585  -2.413
  124    HB3  ARG  18           HB1      ARG  18   4.906   5.042  -3.258
  125    HG2  ARG  18           HG2      ARG  18   4.378   2.759  -2.851
  126    HG3  ARG  18           HG1      ARG  18   3.070   3.200  -1.751
  127    HD2  ARG  18           HD2      ARG  18   2.317   2.497  -4.025
  128    HD3  ARG  18           HD1      ARG  18   1.769   4.098  -3.533
  129    HE   ARG  18           HE       ARG  18   3.979   4.699  -4.910
  130   HH11  ARG  18          HH11      ARG  18   1.359   2.502  -5.687
  131   HH12  ARG  18          HH12      ARG  18   1.425   2.824  -7.397
  132   HH21  ARG  18          HH21      ARG  18   4.092   5.091  -7.167
  133   HH22  ARG  18          HH22      ARG  18   2.972   4.293  -8.234
  134    H    GLN  19           HN       GLN  19   4.532   7.412  -1.316
  135    HA   GLN  19           HA       GLN  19   7.006   8.315  -2.339
  136    HB2  GLN  19           HB2      GLN  19   6.129  10.579  -1.959
  137    HB3  GLN  19           HB1      GLN  19   4.940   9.542  -2.731
  138    HG2  GLN  19           HG2      GLN  19   3.775   9.250  -0.642
  139    HG3  GLN  19           HG1      GLN  19   5.007  10.180   0.208
  140   HE21  GLN  19          HE21      GLN  19   2.144  10.633  -0.011
  141   HE22  GLN  19          HE22      GLN  19   1.952  12.206  -0.693
  142    H    GLU  20           HN       GLU  20   5.832   7.858   0.893
  143    HA   GLU  20           HA       GLU  20   7.702   9.536   2.203
  144    HB2  GLU  20           HB2      GLU  20   5.929   7.288   3.093
  145    HB3  GLU  20           HB1      GLU  20   7.102   8.003   4.199
  146    HG2  GLU  20           HG2      GLU  20   4.811   9.384   2.824
  147    HG3  GLU  20           HG1      GLU  20   4.980   9.041   4.546
  148    H    ILE  21           HN       ILE  21   7.740   6.070   1.392
  149    HA   ILE  21           HA       ILE  21  10.255   5.662   2.699
  150    HB   ILE  21           HB       ILE  21   8.947   3.924   0.608
  151   HG12  ILE  21          HG12      ILE  21   7.580   4.226   2.644
  152   HG13  ILE  21          HG11      ILE  21   8.170   2.574   2.485
  153   HG21  ILE  21          HG21      ILE  21  10.984   3.041   2.620
  154   HG22  ILE  21          HG22      ILE  21  11.489   3.737   1.079
  155   HG23  ILE  21          HG23      ILE  21  10.507   2.264   1.108
  156   HD11  ILE  21          HD11      ILE  21   9.224   4.716   4.312
  157   HD12  ILE  21          HD12      ILE  21   9.974   3.139   4.082
  158   HD13  ILE  21          HD13      ILE  21   8.353   3.251   4.769
  159    H    ASP  22           HN       ASP  22   9.446   5.309  -0.738
  160    HA   ASP  22           HA       ASP  22  10.524   5.811  -2.664
  161    HB2  ASP  22           HB2      ASP  22  10.655   8.090  -1.940
  162    HB3  ASP  22           HB1      ASP  22  12.011   7.737  -0.875
  163    H    MET  23           HN       MET  23  12.651   5.284   0.067
  164    HA   MET  23           HA       MET  23  15.021   4.579  -1.156
  165    HB2  MET  23           HB2      MET  23  14.408   4.885   1.330
  166    HB3  MET  23           HB1      MET  23  13.963   3.190   1.288
  167    HG2  MET  23           HG2      MET  23  16.218   3.492   2.141
  168    HG3  MET  23           HG1      MET  23  16.213   2.574   0.636
  169    HE1  MET  23           HE1      MET  23  19.579   4.529   0.371
  170    HE2  MET  23           HE2      MET  23  18.797   2.948   0.323
  171    HE3  MET  23           HE3      MET  23  18.862   3.856   1.834
  172    H    GLU  24           HN       GLU  24  15.197   3.159  -2.793
  173    HA   GLU  24           HA       GLU  24  13.649   0.698  -2.789
  174    HB2  GLU  24           HB2      GLU  24  15.674   1.758  -4.762
  175    HB3  GLU  24           HB1      GLU  24  14.739   0.286  -4.980
  176    HG2  GLU  24           HG2      GLU  24  12.672   1.708  -4.819
  177    HG3  GLU  24           HG1      GLU  24  13.733   3.114  -4.894
  178    H    ASP  25           HN       ASP  25  15.298   0.729  -0.621
  179    HA   ASP  25           HA       ASP  25  17.486  -1.098  -1.366
  180    HB2  ASP  25           HB2      ASP  25  18.070   1.051  -0.135
  181    HB3  ASP  25           HB1      ASP  25  17.223   0.387   1.258
  182    H    GLU  26           HN       GLU  26  16.909  -1.189   1.936
  183    HA   GLU  26           HA       GLU  26  15.621  -3.779   1.746
  184    HB2  GLU  26           HB2      GLU  26  17.484  -3.371   3.327
  185    HB3  GLU  26           HB1      GLU  26  16.494  -2.189   4.168
  186    HG2  GLU  26           HG2      GLU  26  14.927  -3.912   4.815
  187    HG3  GLU  26           HG1      GLU  26  15.847  -5.115   3.910
  188    H    GLU  27           HN       GLU  27  14.914  -0.526   2.836
  189    HA   GLU  27           HA       GLU  27  12.352  -0.916   3.879
  190    HB2  GLU  27           HB2      GLU  27  13.429   1.476   2.378
  191    HB3  GLU  27           HB1      GLU  27  11.958   1.465   3.339
  192    HG2  GLU  27           HG2      GLU  27  13.363   0.838   5.316
  193    HG3  GLU  27           HG1      GLU  27  14.781   1.121   4.308
  194    H    ALA  28           HN       ALA  28  13.498  -1.003   0.639
  195    HA   ALA  28           HA       ALA  28  11.172  -0.414  -0.801
  196    HB1  ALA  28           HB1      ALA  28  12.201  -1.579  -2.656
  197    HB2  ALA  28           HB2      ALA  28  13.353  -2.348  -1.564
  198    HB3  ALA  28           HB3      ALA  28  13.404  -0.603  -1.811
  199    H    ASP  29           HN       ASP  29  11.934  -3.163   1.132
  200    HA   ASP  29           HA       ASP  29  10.151  -4.981  -0.160
  201    HB2  ASP  29           HB2      ASP  29  12.003  -5.699   1.361
  202    HB3  ASP  29           HB1      ASP  29  11.083  -5.044   2.714
  203    H    LEU  30           HN       LEU  30   9.876  -2.619   2.424
  204    HA   LEU  30           HA       LEU  30   7.155  -3.215   3.058
  205    HB2  LEU  30           HB2      LEU  30   8.825  -0.736   3.523
  206    HB3  LEU  30           HB1      LEU  30   7.174  -0.908   4.084
  207    HG   LEU  30           HG       LEU  30   8.532  -1.354   5.952
  208   HD11  LEU  30          HD11      LEU  30   8.073  -3.682   6.494
  209   HD12  LEU  30          HD12      LEU  30   7.747  -4.023   4.793
  210   HD13  LEU  30          HD13      LEU  30   6.694  -2.928   5.689
  211   HD21  LEU  30          HD21      LEU  30  10.663  -1.654   4.837
  212   HD22  LEU  30          HD22      LEU  30  10.146  -3.224   4.220
  213   HD23  LEU  30          HD23      LEU  30  10.368  -2.985   5.954
  214    H    ARG  31           HN       ARG  31   8.826  -1.038   0.878
  215    HA   ARG  31           HA       ARG  31   6.676   0.297  -0.287
  216    HB2  ARG  31           HB2      ARG  31   8.944   0.901  -0.832
  217    HB3  ARG  31           HB1      ARG  31   9.279  -0.708  -1.450
  218    HG2  ARG  31           HG2      ARG  31   9.060   0.608  -3.350
  219    HG3  ARG  31           HG1      ARG  31   7.499  -0.202  -3.212
  220    HD2  ARG  31           HD2      ARG  31   6.530   1.786  -2.214
  221    HD3  ARG  31           HD1      ARG  31   8.098   2.595  -2.255
  222    HE   ARG  31           HE       ARG  31   6.911   1.661  -4.772
  223   HH11  ARG  31          HH11      ARG  31   7.939   4.319  -2.728
  224   HH12  ARG  31          HH12      ARG  31   7.774   5.506  -3.982
  225   HH21  ARG  31          HH21      ARG  31   6.740   3.235  -6.428
  226   HH22  ARG  31          HH22      ARG  31   7.105   4.897  -6.066
  227    H    ARG  32           HN       ARG  32   8.129  -2.821  -1.081
  228    HA   ARG  32           HA       ARG  32   6.470  -3.588  -3.190
  229    HB2  ARG  32           HB2      ARG  32   8.607  -4.677  -2.488
  230    HB3  ARG  32           HB1      ARG  32   7.759  -5.373  -1.117
  231    HG2  ARG  32           HG2      ARG  32   6.271  -6.564  -2.694
  232    HG3  ARG  32           HG1      ARG  32   7.239  -5.928  -4.029
  233    HD2  ARG  32           HD2      ARG  32   9.242  -6.978  -2.928
  234    HD3  ARG  32           HD1      ARG  32   8.125  -7.784  -1.826
  235    HE   ARG  32           HE       ARG  32   7.354  -8.280  -4.492
  236   HH11  ARG  32          HH11      ARG  32   9.798  -9.171  -2.146
  237   HH12  ARG  32          HH12      ARG  32  10.197 -10.669  -2.933
  238   HH21  ARG  32          HH21      ARG  32   7.884 -10.224  -5.546
  239   HH22  ARG  32          HH22      ARG  32   9.109 -11.266  -4.877
  240    H    ALA  33           HN       ALA  33   6.170  -4.166   0.293
  241    HA   ALA  33           HA       ALA  33   3.865  -5.754   0.236
  242    HB1  ALA  33           HB1      ALA  33   4.726  -3.857   2.418
  243    HB2  ALA  33           HB2      ALA  33   5.339  -5.496   2.196
  244    HB3  ALA  33           HB3      ALA  33   3.641  -5.236   2.588
  245    H    ILE  34           HN       ILE  34   4.246  -2.240   0.296
  246    HA   ILE  34           HA       ILE  34   1.494  -1.671   0.710
  247    HB   ILE  34           HB       ILE  34   3.898  -0.083   0.062
  248   HG12  ILE  34          HG12      ILE  34   2.988   1.373   1.794
  249   HG13  ILE  34          HG11      ILE  34   1.474   0.479   1.781
  250   HG21  ILE  34          HG21      ILE  34   2.610   1.915  -0.581
  251   HG22  ILE  34          HG22      ILE  34   1.158   0.923  -0.690
  252   HG23  ILE  34          HG23      ILE  34   2.507   0.633  -1.786
  253   HD11  ILE  34          HD11      ILE  34   2.995  -0.045   3.679
  254   HD12  ILE  34          HD12      ILE  34   4.117  -0.736   2.509
  255   HD13  ILE  34          HD13      ILE  34   2.517  -1.441   2.714
  256    H    GLN  35           HN       GLN  35   3.531  -2.057  -2.138
  257    HA   GLN  35           HA       GLN  35   1.591  -1.286  -4.050
  258    HB2  GLN  35           HB2      GLN  35   3.917  -3.197  -4.349
  259    HB3  GLN  35           HB1      GLN  35   2.988  -2.522  -5.679
  260    HG2  GLN  35           HG2      GLN  35   4.639  -0.937  -3.723
  261    HG3  GLN  35           HG1      GLN  35   5.138  -1.399  -5.348
  262   HE21  GLN  35          HE21      GLN  35   5.390   0.679  -6.055
  263   HE22  GLN  35          HE22      GLN  35   4.055   1.749  -6.330
  264    H    LEU  36           HN       LEU  36   2.323  -4.313  -2.446
  265    HA   LEU  36           HA       LEU  36   0.582  -5.942  -3.988
  266    HB2  LEU  36           HB2      LEU  36   2.412  -6.910  -2.749
  267    HB3  LEU  36           HB1      LEU  36   1.825  -6.235  -1.248
  268    HG   LEU  36           HG       LEU  36   1.531  -8.735  -1.616
  269   HD11  LEU  36          HD11      LEU  36  -0.957  -8.504  -0.766
  270   HD12  LEU  36          HD12      LEU  36  -0.500  -6.793  -0.683
  271   HD13  LEU  36          HD13      LEU  36   0.417  -8.001   0.220
  272   HD21  LEU  36          HD21      LEU  36   0.729  -8.690  -3.904
  273   HD22  LEU  36          HD22      LEU  36  -0.676  -7.741  -3.416
  274   HD23  LEU  36          HD23      LEU  36  -0.493  -9.401  -2.848
  275    H    SER  37           HN       SER  37   0.281  -4.343  -0.827
  276    HA   SER  37           HA       SER  37  -2.386  -5.037  -0.321
  277    HB2  SER  37           HB2      SER  37  -0.743  -4.071   1.324
  278    HB3  SER  37           HB1      SER  37  -1.003  -2.499   0.566
  279    HG   SER  37           HG       SER  37  -3.348  -2.998   1.040
  280    H    MET  38           HN       MET  38  -0.995  -2.347  -2.143
  281    HA   MET  38           HA       MET  38  -3.300  -0.853  -2.588
  282    HB2  MET  38           HB2      MET  38  -0.926  -0.219  -3.154
  283    HB3  MET  38           HB1      MET  38  -1.049  -1.266  -4.562
  284    HG2  MET  38           HG2      MET  38  -2.812   0.085  -5.473
  285    HG3  MET  38           HG1      MET  38  -2.845   1.073  -4.011
  286    HE1  MET  38           HE1      MET  38  -2.680   3.247  -5.549
  287    HE2  MET  38           HE2      MET  38  -2.600   2.246  -6.999
  288    HE3  MET  38           HE3      MET  38  -1.402   3.513  -6.732
  289    H    GLN  39           HN       GLN  39  -2.054  -3.712  -4.205
  290    HA   GLN  39           HA       GLN  39  -4.123  -3.850  -6.171
  291    HB2  GLN  39           HB2      GLN  39  -2.216  -5.918  -5.081
  292    HB3  GLN  39           HB1      GLN  39  -3.324  -6.219  -6.412
  293    HG2  GLN  39           HG2      GLN  39  -2.193  -4.755  -7.835
  294    HG3  GLN  39           HG1      GLN  39  -1.338  -3.978  -6.502
  295   HE21  GLN  39          HE21      GLN  39   0.457  -4.942  -5.636
  296   HE22  GLN  39          HE22      GLN  39   1.271  -6.277  -6.389
  297    H    GLY  40           HN       GLY  40  -3.451  -5.977  -3.367
  298    HA2  GLY  40           HA2      GLY  40  -4.867  -7.210  -2.028
  299    HA3  GLY  40           HA1      GLY  40  -5.964  -5.845  -2.180
  300    H    SER  41           HN       SER  41  -4.821  -8.044  -4.695
  301    HA   SER  41           HA       SER  41  -7.576  -9.000  -5.050
  302    HB2  SER  41           HB2      SER  41  -7.109  -8.852  -7.545
  303    HB3  SER  41           HB1      SER  41  -7.285  -7.307  -6.714
  304    HG   SER  41           HG       SER  41  -5.165  -8.288  -8.079
  305    H    SER  42           HN       SER  42  -5.005 -10.139  -3.897
  306    HA   SER  42           HA       SER  42  -4.576 -12.348  -5.782
  307    HB2  SER  42           HB2      SER  42  -2.896 -11.446  -3.435
  308    HB3  SER  42           HB1      SER  42  -2.507 -12.785  -4.516
  309    HG   SER  42           HG       SER  42  -2.836 -10.075  -5.308
  310    H    ARG  43           HN       ARG  43  -6.554 -13.354  -5.187
  311    HA   ARG  43           HA       ARG  43  -6.967 -14.171  -2.454
  312    HB2  ARG  43           HB2      ARG  43  -8.724 -13.621  -4.367
  313    HB3  ARG  43           HB1      ARG  43  -8.535 -15.332  -4.718
  314    HG2  ARG  43           HG2      ARG  43  -9.269 -14.271  -1.999
  315    HG3  ARG  43           HG1      ARG  43 -10.453 -14.740  -3.217
  316    HD2  ARG  43           HD2      ARG  43  -8.330 -16.561  -2.087
  317    HD3  ARG  43           HD1      ARG  43 -10.002 -16.503  -1.532
  318    HE   ARG  43           HE       ARG  43 -10.117 -16.921  -4.260
  319   HH11  ARG  43          HH11      ARG  43  -8.816 -18.592  -1.468
  320   HH12  ARG  43          HH12      ARG  43  -8.974 -20.172  -2.181
  321   HH21  ARG  43          HH21      ARG  43 -10.342 -18.998  -5.182
  322   HH22  ARG  43          HH22      ARG  43  -9.851 -20.401  -4.280
  323    H    ASN  44           HN       ASN  44  -4.790 -15.239  -2.484
  324    HA   ASN  44           HA       ASN  44  -5.400 -18.074  -2.593
  325    HB2  ASN  44           HB2      ASN  44  -4.163 -17.463  -4.753
  326    HB3  ASN  44           HB1      ASN  44  -2.756 -17.161  -3.735
  327   HD21  ASN  44          HD21      ASN  44  -1.608 -18.857  -4.734
  328   HD22  ASN  44          HD22      ASN  44  -1.961 -20.518  -4.377
  329    H    LEU  45           HN       LEU  45  -4.720 -15.637  -0.816
  330    HA   LEU  45           HA       LEU  45  -2.624 -16.880   0.807
  331    HB2  LEU  45           HB2      LEU  45  -3.774 -14.096   0.751
  332    HB3  LEU  45           HB1      LEU  45  -2.810 -14.664   2.097
  333    HG   LEU  45           HG       LEU  45  -0.938 -15.095   0.477
  334   HD11  LEU  45          HD11      LEU  45  -1.012 -13.965  -1.688
  335   HD12  LEU  45          HD12      LEU  45  -2.703 -13.542  -1.411
  336   HD13  LEU  45          HD13      LEU  45  -2.230 -15.232  -1.580
  337   HD21  LEU  45          HD21      LEU  45  -0.983 -13.120   1.889
  338   HD22  LEU  45          HD22      LEU  45  -1.956 -12.267   0.691
  339   HD23  LEU  45          HD23      LEU  45  -0.301 -12.740   0.307
  340    H    GLU  46           HN       GLU  46  -4.233 -18.531   1.296
  341    HA   GLU  46           HA       GLU  46  -6.451 -17.756   3.000
  342    HB2  GLU  46           HB2      GLU  46  -6.889 -20.277   2.944
  343    HB3  GLU  46           HB1      GLU  46  -7.052 -19.401   1.427
  344    HG2  GLU  46           HG2      GLU  46  -4.800 -20.137   0.781
  345    HG3  GLU  46           HG1      GLU  46  -4.686 -21.052   2.283
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1 -14.138  -2.761   0.359
    2    H2   GLY   1           HT2      GLY   1 -12.763  -2.305  -0.527
    3    H3   GLY   1           HT3      GLY   1 -13.931  -1.145  -0.117
    4    HA2  GLY   1           HA1      GLY   1 -12.194  -2.612   1.796
    5    HA3  GLY   1           HA2      GLY   1 -11.989  -0.937   1.300
    6    H    SER   2           HN       SER   2 -14.310   0.225   1.435
    7    HA   SER   2           HA       SER   2 -15.856  -0.564   3.722
    8    HB2  SER   2           HB2      SER   2 -13.955   0.498   4.850
    9    HB3  SER   2           HB1      SER   2 -14.167   1.951   3.880
   10    HG   SER   2           HG       SER   2 -15.615   2.585   5.246
   11    H    LEU   3           HN       LEU   3 -15.388   2.792   2.699
   12    HA   LEU   3           HA       LEU   3 -17.873   2.561   1.133
   13    HB2  LEU   3           HB2      LEU   3 -16.879   4.801   2.877
   14    HB3  LEU   3           HB1      LEU   3 -17.997   5.116   1.566
   15    HG   LEU   3           HG       LEU   3 -19.570   3.456   2.649
   16   HD11  LEU   3          HD11      LEU   3 -17.676   3.767   4.971
   17   HD12  LEU   3          HD12      LEU   3 -17.940   2.289   4.045
   18   HD13  LEU   3          HD13      LEU   3 -19.250   2.973   5.007
   19   HD21  LEU   3          HD21      LEU   3 -19.917   5.844   2.819
   20   HD22  LEU   3          HD22      LEU   3 -18.805   5.932   4.186
   21   HD23  LEU   3          HD23      LEU   3 -20.330   5.059   4.344
   22    H    ASP   4           HN       ASP   4 -15.992   5.464   1.158
   23    HA   ASP   4           HA       ASP   4 -14.411   4.717  -1.157
   24    HB2  ASP   4           HB2      ASP   4 -16.439   6.964  -1.201
   25    HB3  ASP   4           HB1      ASP   4 -15.140   6.813  -2.375
   26    H    GLU   5           HN       GLU   5 -15.440   7.432   0.904
   27    HA   GLU   5           HA       GLU   5 -13.139   8.981   0.615
   28    HB2  GLU   5           HB2      GLU   5 -15.248   9.774   1.633
   29    HB3  GLU   5           HB1      GLU   5 -14.930   8.771   3.042
   30    HG2  GLU   5           HG2      GLU   5 -12.910  10.059   3.505
   31    HG3  GLU   5           HG1      GLU   5 -13.232  11.065   2.092
   32    H    ASP   6           HN       ASP   6 -13.930   6.499   2.998
   33    HA   ASP   6           HA       ASP   6 -11.451   6.644   4.376
   34    HB2  ASP   6           HB2      ASP   6 -12.196   4.275   5.155
   35    HB3  ASP   6           HB1      ASP   6 -13.120   5.679   5.666
   36    H    GLU   7           HN       GLU   7 -12.677   4.761   1.701
   37    HA   GLU   7           HA       GLU   7 -10.407   3.120   1.388
   38    HB2  GLU   7           HB2      GLU   7 -12.602   3.971  -0.505
   39    HB3  GLU   7           HB1      GLU   7 -11.271   2.924  -1.021
   40    HG2  GLU   7           HG2      GLU   7 -11.884   1.448   0.964
   41    HG3  GLU   7           HG1      GLU   7 -13.369   2.391   1.053
   42    H    GLU   8           HN       GLU   8 -11.224   6.298   0.051
   43    HA   GLU   8           HA       GLU   8  -8.878   6.604  -1.499
   44    HB2  GLU   8           HB2      GLU   8 -10.744   8.622  -0.250
   45    HB3  GLU   8           HB1      GLU   8  -9.389   9.079  -1.273
   46    HG2  GLU   8           HG2      GLU   8 -10.353   7.772  -3.110
   47    HG3  GLU   8           HG1      GLU   8 -11.727   7.369  -2.081
   48    H    ASP   9           HN       ASP   9  -9.618   7.146   1.877
   49    HA   ASP   9           HA       ASP   9  -7.216   8.475   2.570
   50    HB2  ASP   9           HB2      ASP   9  -9.049   8.548   4.115
   51    HB3  ASP   9           HB1      ASP   9  -9.118   6.791   4.206
   52    H    LEU  10           HN       LEU  10  -8.173   5.073   2.657
   53    HA   LEU  10           HA       LEU  10  -5.728   4.044   3.599
   54    HB2  LEU  10           HB2      LEU  10  -8.011   2.899   3.437
   55    HB3  LEU  10           HB1      LEU  10  -7.636   2.609   1.752
   56    HG   LEU  10           HG       LEU  10  -7.234   0.688   3.351
   57   HD11  LEU  10          HD11      LEU  10  -5.143  -0.000   2.289
   58   HD12  LEU  10          HD12      LEU  10  -4.898   1.649   1.712
   59   HD13  LEU  10          HD13      LEU  10  -6.265   0.703   1.123
   60   HD21  LEU  10          HD21      LEU  10  -5.261   0.709   4.710
   61   HD22  LEU  10          HD22      LEU  10  -6.256   2.105   5.133
   62   HD23  LEU  10          HD23      LEU  10  -4.826   2.316   4.126
   63    H    GLN  11           HN       GLN  11  -6.999   4.374   0.282
   64    HA   GLN  11           HA       GLN  11  -4.692   3.463  -1.045
   65    HB2  GLN  11           HB2      GLN  11  -6.849   5.377  -1.957
   66    HB3  GLN  11           HB1      GLN  11  -5.614   4.710  -3.016
   67    HG2  GLN  11           HG2      GLN  11  -7.465   2.965  -1.428
   68    HG3  GLN  11           HG1      GLN  11  -7.889   3.584  -3.021
   69   HE21  GLN  11          HE21      GLN  11  -8.019   1.436  -3.763
   70   HE22  GLN  11          HE22      GLN  11  -6.585   0.531  -4.126
   71    H    ARG  12           HN       ARG  12  -5.563   6.601   0.235
   72    HA   ARG  12           HA       ARG  12  -3.478   8.105  -0.909
   73    HB2  ARG  12           HB2      ARG  12  -5.362   9.194   0.197
   74    HB3  ARG  12           HB1      ARG  12  -4.901   8.477   1.735
   75    HG2  ARG  12           HG2      ARG  12  -4.257  10.831   1.578
   76    HG3  ARG  12           HG1      ARG  12  -2.858   9.771   1.763
   77    HD2  ARG  12           HD2      ARG  12  -2.354  11.434   0.107
   78    HD3  ARG  12           HD1      ARG  12  -2.518   9.871  -0.689
   79    HE   ARG  12           HE       ARG  12  -5.008  11.023  -0.864
   80   HH11  ARG  12          HH11      ARG  12  -1.751  11.802  -1.880
   81   HH12  ARG  12          HH12      ARG  12  -2.254  12.790  -3.221
   82   HH21  ARG  12          HH21      ARG  12  -5.689  12.317  -2.630
   83   HH22  ARG  12          HH22      ARG  12  -4.511  13.106  -3.629
   84    H    ALA  13           HN       ALA  13  -3.712   6.566   2.298
   85    HA   ALA  13           HA       ALA  13  -1.127   7.005   3.172
   86    HB1  ALA  13           HB1      ALA  13  -1.438   5.032   4.602
   87    HB2  ALA  13           HB2      ALA  13  -2.863   4.584   3.661
   88    HB3  ALA  13           HB3      ALA  13  -2.860   6.077   4.602
   89    H    LEU  14           HN       LEU  14  -2.349   4.497   1.005
   90    HA   LEU  14           HA       LEU  14   0.051   3.008   0.850
   91    HB2  LEU  14           HB2      LEU  14  -2.152   3.275  -1.200
   92    HB3  LEU  14           HB1      LEU  14  -0.898   2.047  -1.207
   93    HG   LEU  14           HG       LEU  14  -3.127   2.344   0.805
   94   HD11  LEU  14          HD11      LEU  14  -2.482   0.225  -1.235
   95   HD12  LEU  14          HD12      LEU  14  -3.816   1.374  -1.306
   96   HD13  LEU  14          HD13      LEU  14  -3.783   0.138  -0.049
   97   HD21  LEU  14          HD21      LEU  14  -2.240   0.322   1.845
   98   HD22  LEU  14          HD22      LEU  14  -1.070   1.638   1.923
   99   HD23  LEU  14          HD23      LEU  14  -0.867   0.347   0.739
  100    H    ALA  15           HN       ALA  15  -1.338   5.443  -1.365
  101    HA   ALA  15           HA       ALA  15   0.877   5.489  -3.130
  102    HB1  ALA  15           HB1      ALA  15  -0.124   7.538  -4.018
  103    HB2  ALA  15           HB2      ALA  15  -1.209   7.618  -2.631
  104    HB3  ALA  15           HB3      ALA  15  -1.342   6.286  -3.782
  105    H    LEU  16           HN       LEU  16   0.083   7.226  -0.218
  106    HA   LEU  16           HA       LEU  16   2.079   9.187  -0.227
  107    HB2  LEU  16           HB2      LEU  16   0.062   8.791   1.334
  108    HB3  LEU  16           HB1      LEU  16   1.119   7.712   2.215
  109    HG   LEU  16           HG       LEU  16   1.856  10.592   1.749
  110   HD11  LEU  16          HD11      LEU  16   0.476   9.530   4.202
  111   HD12  LEU  16          HD12      LEU  16  -0.416  10.260   2.868
  112   HD13  LEU  16          HD13      LEU  16   0.782  11.209   3.754
  113   HD21  LEU  16          HD21      LEU  16   3.353  10.265   3.547
  114   HD22  LEU  16          HD22      LEU  16   3.532   8.837   2.521
  115   HD23  LEU  16          HD23      LEU  16   2.588   8.746   4.009
  116    H    SER  17           HN       SER  17   2.056   5.967   1.260
  117    HA   SER  17           HA       SER  17   4.713   5.842   2.062
  118    HB2  SER  17           HB2      SER  17   2.905   3.598   1.136
  119    HB3  SER  17           HB1      SER  17   4.395   3.390   2.058
  120    HG   SER  17           HG       SER  17   1.987   4.657   2.876
  121    H    ARG  18           HN       ARG  18   3.309   5.469  -1.093
  122    HA   ARG  18           HA       ARG  18   5.499   4.144  -2.339
  123    HB2  ARG  18           HB2      ARG  18   3.331   5.874  -3.547
  124    HB3  ARG  18           HB1      ARG  18   4.467   4.903  -4.469
  125    HG2  ARG  18           HG2      ARG  18   2.435   3.842  -2.518
  126    HG3  ARG  18           HG1      ARG  18   2.288   3.830  -4.276
  127    HD2  ARG  18           HD2      ARG  18   4.351   2.381  -2.620
  128    HD3  ARG  18           HD1      ARG  18   3.009   1.662  -3.509
  129    HE   ARG  18           HE       ARG  18   4.252   2.832  -5.507
  130   HH11  ARG  18          HH11      ARG  18   5.604   0.970  -2.856
  131   HH12  ARG  18          HH12      ARG  18   7.052   0.552  -3.728
  132   HH21  ARG  18          HH21      ARG  18   6.156   2.287  -6.637
  133   HH22  ARG  18          HH22      ARG  18   7.369   1.314  -5.862
  134    H    GLN  19           HN       GLN  19   4.429   7.544  -2.372
  135    HA   GLN  19           HA       GLN  19   6.687   8.423  -3.851
  136    HB2  GLN  19           HB2      GLN  19   5.923  10.721  -3.195
  137    HB3  GLN  19           HB1      GLN  19   4.708   9.736  -3.996
  138    HG2  GLN  19           HG2      GLN  19   3.634   9.276  -1.887
  139    HG3  GLN  19           HG1      GLN  19   4.903  10.150  -1.025
  140   HE21  GLN  19          HE21      GLN  19   2.147  10.446  -3.145
  141   HE22  GLN  19          HE22      GLN  19   1.913  12.148  -2.910
  142    H    GLU  20           HN       GLU  20   6.084   7.992  -0.443
  143    HA   GLU  20           HA       GLU  20   8.144   9.560   0.613
  144    HB2  GLU  20           HB2      GLU  20   6.819   7.034   1.539
  145    HB3  GLU  20           HB1      GLU  20   8.176   7.704   2.433
  146    HG2  GLU  20           HG2      GLU  20   6.856   9.858   2.548
  147    HG3  GLU  20           HG1      GLU  20   5.480   8.926   1.955
  148    H    ILE  21           HN       ILE  21   8.218   6.111  -0.287
  149    HA   ILE  21           HA       ILE  21  11.156   6.286  -0.193
  150    HB   ILE  21           HB       ILE  21   9.468   3.870   0.461
  151   HG12  ILE  21          HG12      ILE  21   9.410   5.646   2.187
  152   HG13  ILE  21          HG11      ILE  21  10.208   4.181   2.753
  153   HG21  ILE  21          HG21      ILE  21  12.455   4.252   0.594
  154   HG22  ILE  21          HG22      ILE  21  11.591   3.269  -0.590
  155   HG23  ILE  21          HG23      ILE  21  11.573   2.818   1.116
  156   HD11  ILE  21          HD11      ILE  21  11.491   6.760   1.904
  157   HD12  ILE  21          HD12      ILE  21  12.380   5.273   2.225
  158   HD13  ILE  21          HD13      ILE  21  11.461   6.045   3.519
  159    H    ASP  22           HN       ASP  22   8.890   3.829  -1.402
  160    HA   ASP  22           HA       ASP  22   9.023   2.451  -3.195
  161    HB2  ASP  22           HB2      ASP  22   8.170   4.417  -4.368
  162    HB3  ASP  22           HB1      ASP  22   9.811   5.006  -4.608
  163    H    MET  23           HN       MET  23  10.656   1.142  -2.524
  164    HA   MET  23           HA       MET  23  13.119   1.186  -3.959
  165    HB2  MET  23           HB2      MET  23  13.249   2.884  -1.912
  166    HB3  MET  23           HB1      MET  23  13.497   1.410  -0.992
  167    HG2  MET  23           HG2      MET  23  15.441   0.871  -2.320
  168    HG3  MET  23           HG1      MET  23  15.168   2.291  -3.329
  169    HE1  MET  23           HE1      MET  23  15.806   5.217  -0.790
  170    HE2  MET  23           HE2      MET  23  14.251   4.446  -1.103
  171    HE3  MET  23           HE3      MET  23  15.348   4.791  -2.440
  172    H    GLU  24           HN       GLU  24  14.602  -0.646  -2.656
  173    HA   GLU  24           HA       GLU  24  12.712  -2.723  -1.808
  174    HB2  GLU  24           HB2      GLU  24  14.724  -2.896  -4.025
  175    HB3  GLU  24           HB1      GLU  24  14.215  -4.341  -3.159
  176    HG2  GLU  24           HG2      GLU  24  11.944  -4.026  -3.812
  177    HG3  GLU  24           HG1      GLU  24  12.302  -2.435  -4.478
  178    H    ASP  25           HN       ASP  25  13.781  -1.635   0.164
  179    HA   ASP  25           HA       ASP  25  15.976  -3.414   0.979
  180    HB2  ASP  25           HB2      ASP  25  16.477  -1.767   2.773
  181    HB3  ASP  25           HB1      ASP  25  16.710  -1.112   1.156
  182    H    GLU  26           HN       GLU  26  15.661  -3.015   3.763
  183    HA   GLU  26           HA       GLU  26  13.862  -5.096   4.282
  184    HB2  GLU  26           HB2      GLU  26  15.033  -3.096   6.221
  185    HB3  GLU  26           HB1      GLU  26  14.264  -4.615   6.663
  186    HG2  GLU  26           HG2      GLU  26  16.794  -4.294   5.062
  187    HG3  GLU  26           HG1      GLU  26  16.667  -4.824   6.738
  188    H    GLU  27           HN       GLU  27  13.517  -1.604   5.020
  189    HA   GLU  27           HA       GLU  27  10.802  -2.054   5.936
  190    HB2  GLU  27           HB2      GLU  27  12.466   0.443   5.681
  191    HB3  GLU  27           HB1      GLU  27  10.781   0.460   6.188
  192    HG2  GLU  27           HG2      GLU  27  11.410  -1.098   8.033
  193    HG3  GLU  27           HG1      GLU  27  13.095  -0.856   7.574
  194    H    ALA  28           HN       ALA  28  12.467  -0.901   3.133
  195    HA   ALA  28           HA       ALA  28  10.281   0.249   1.789
  196    HB1  ALA  28           HB1      ALA  28  12.564   0.641   1.113
  197    HB2  ALA  28           HB2      ALA  28  11.655  -0.067  -0.212
  198    HB3  ALA  28           HB3      ALA  28  12.764  -1.062   0.711
  199    H    ASP  29           HN       ASP  29  11.230  -3.049   2.326
  200    HA   ASP  29           HA       ASP  29   9.744  -4.337   0.328
  201    HB2  ASP  29           HB2      ASP  29  11.286  -5.618   1.657
  202    HB3  ASP  29           HB1      ASP  29  10.437  -5.199   3.143
  203    H    LEU  30           HN       LEU  30   8.808  -3.042   3.465
  204    HA   LEU  30           HA       LEU  30   6.132  -3.952   3.421
  205    HB2  LEU  30           HB2      LEU  30   7.445  -1.615   4.797
  206    HB3  LEU  30           HB1      LEU  30   5.728  -1.926   4.937
  207    HG   LEU  30           HG       LEU  30   6.315  -4.201   5.870
  208   HD11  LEU  30          HD11      LEU  30   9.067  -2.989   6.041
  209   HD12  LEU  30          HD12      LEU  30   8.593  -4.359   5.039
  210   HD13  LEU  30          HD13      LEU  30   8.551  -4.498   6.797
  211   HD21  LEU  30          HD21      LEU  30   5.589  -2.374   7.293
  212   HD22  LEU  30          HD22      LEU  30   7.240  -1.761   7.379
  213   HD23  LEU  30          HD23      LEU  30   6.841  -3.321   8.098
  214    H    ARG  31           HN       ARG  31   7.727  -1.067   2.189
  215    HA   ARG  31           HA       ARG  31   5.399   0.272   1.293
  216    HB2  ARG  31           HB2      ARG  31   8.143   0.488   0.049
  217    HB3  ARG  31           HB1      ARG  31   6.873   1.702   0.067
  218    HG2  ARG  31           HG2      ARG  31   8.320   0.727   2.518
  219    HG3  ARG  31           HG1      ARG  31   8.755   2.174   1.609
  220    HD2  ARG  31           HD2      ARG  31   6.553   3.124   2.058
  221    HD3  ARG  31           HD1      ARG  31   6.103   1.671   2.947
  222    HE   ARG  31           HE       ARG  31   8.119   2.328   4.410
  223   HH11  ARG  31          HH11      ARG  31   5.942   4.567   2.854
  224   HH12  ARG  31          HH12      ARG  31   6.160   5.827   4.030
  225   HH21  ARG  31          HH21      ARG  31   8.433   3.965   5.976
  226   HH22  ARG  31          HH22      ARG  31   7.604   5.488   5.799
  227    H    ARG  32           HN       ARG  32   7.463  -2.186  -0.083
  228    HA   ARG  32           HA       ARG  32   6.351  -2.158  -2.702
  229    HB2  ARG  32           HB2      ARG  32   8.559  -3.115  -2.246
  230    HB3  ARG  32           HB1      ARG  32   7.834  -4.340  -1.213
  231    HG2  ARG  32           HG2      ARG  32   6.759  -5.372  -3.085
  232    HG3  ARG  32           HG1      ARG  32   7.243  -4.050  -4.151
  233    HD2  ARG  32           HD2      ARG  32   8.645  -6.056  -4.428
  234    HD3  ARG  32           HD1      ARG  32   9.568  -4.650  -3.905
  235    HE   ARG  32           HE       ARG  32   8.855  -6.033  -1.612
  236   HH11  ARG  32          HH11      ARG  32  10.732  -6.668  -4.497
  237   HH12  ARG  32          HH12      ARG  32  11.864  -7.711  -3.685
  238   HH21  ARG  32          HH21      ARG  32  10.326  -7.412  -0.538
  239   HH22  ARG  32          HH22      ARG  32  11.624  -8.149  -1.439
  240    H    ALA  33           HN       ALA  33   5.583  -3.845   0.294
  241    HA   ALA  33           HA       ALA  33   3.577  -5.540  -0.763
  242    HB1  ALA  33           HB1      ALA  33   3.793  -4.415   2.029
  243    HB2  ALA  33           HB2      ALA  33   4.582  -5.882   1.450
  244    HB3  ALA  33           HB3      ALA  33   2.821  -5.802   1.533
  245    H    ILE  34           HN       ILE  34   3.626  -2.226   0.315
  246    HA   ILE  34           HA       ILE  34   0.845  -1.721   0.269
  247    HB   ILE  34           HB       ILE  34   3.319  -0.087   0.328
  248   HG12  ILE  34          HG12      ILE  34   2.066   1.096   2.110
  249   HG13  ILE  34          HG11      ILE  34   0.669   0.085   1.774
  250   HG21  ILE  34          HG21      ILE  34   2.166   2.013  -0.125
  251   HG22  ILE  34          HG22      ILE  34   0.715   1.121  -0.582
  252   HG23  ILE  34          HG23      ILE  34   2.186   0.964  -1.543
  253   HD11  ILE  34          HD11      ILE  34   3.335  -0.842   2.802
  254   HD12  ILE  34          HD12      ILE  34   1.967  -1.888   2.429
  255   HD13  ILE  34          HD13      ILE  34   1.841  -0.699   3.725
  256    H    GLN  35           HN       GLN  35   3.387  -1.631  -2.146
  257    HA   GLN  35           HA       GLN  35   1.809  -0.597  -4.271
  258    HB2  GLN  35           HB2      GLN  35   4.306  -0.660  -4.251
  259    HB3  GLN  35           HB1      GLN  35   4.229  -2.403  -4.456
  260    HG2  GLN  35           HG2      GLN  35   2.990  -2.016  -6.587
  261    HG3  GLN  35           HG1      GLN  35   3.311  -0.295  -6.389
  262   HE21  GLN  35          HE21      GLN  35   4.530  -0.162  -8.244
  263   HE22  GLN  35          HE22      GLN  35   6.116  -0.857  -8.375
  264    H    LEU  36           HN       LEU  36   2.452  -3.820  -3.043
  265    HA   LEU  36           HA       LEU  36   1.249  -5.282  -5.122
  266    HB2  LEU  36           HB2      LEU  36   2.782  -6.334  -3.614
  267    HB3  LEU  36           HB1      LEU  36   1.824  -5.888  -2.223
  268    HG   LEU  36           HG       LEU  36   1.807  -8.332  -2.939
  269   HD11  LEU  36          HD11      LEU  36  -0.829  -8.314  -2.682
  270   HD12  LEU  36          HD12      LEU  36  -0.505  -6.623  -2.254
  271   HD13  LEU  36          HD13      LEU  36   0.257  -7.933  -1.344
  272   HD21  LEU  36          HD21      LEU  36   0.212  -8.958  -4.677
  273   HD22  LEU  36          HD22      LEU  36   1.527  -7.988  -5.342
  274   HD23  LEU  36          HD23      LEU  36  -0.052  -7.256  -5.058
  275    H    SER  37           HN       SER  37  -0.008  -4.114  -2.001
  276    HA   SER  37           HA       SER  37  -2.583  -5.183  -2.280
  277    HB2  SER  37           HB2      SER  37  -3.185  -3.362  -0.572
  278    HB3  SER  37           HB1      SER  37  -1.963  -4.546  -0.109
  279    HG   SER  37           HG       SER  37  -1.182  -2.121  -1.309
  280    H    MET  38           HN       MET  38  -1.165  -2.618  -3.991
  281    HA   MET  38           HA       MET  38  -3.582  -1.156  -4.515
  282    HB2  MET  38           HB2      MET  38  -0.858  -1.172  -5.793
  283    HB3  MET  38           HB1      MET  38  -2.187  -0.245  -6.472
  284    HG2  MET  38           HG2      MET  38  -2.391   0.936  -4.298
  285    HG3  MET  38           HG1      MET  38  -0.946   0.081  -3.755
  286    HE1  MET  38           HE1      MET  38  -0.051   2.585  -3.199
  287    HE2  MET  38           HE2      MET  38  -1.462   3.328  -3.952
  288    HE3  MET  38           HE3      MET  38   0.162   3.831  -4.428
  289    H    GLN  39           HN       GLN  39  -1.971  -3.921  -5.848
  290    HA   GLN  39           HA       GLN  39  -4.065  -4.119  -7.907
  291    HB2  GLN  39           HB2      GLN  39  -1.151  -4.829  -8.188
  292    HB3  GLN  39           HB1      GLN  39  -2.383  -5.229  -9.374
  293    HG2  GLN  39           HG2      GLN  39  -2.785  -2.908  -9.818
  294    HG3  GLN  39           HG1      GLN  39  -1.697  -2.426  -8.517
  295   HE21  GLN  39          HE21      GLN  39  -0.420  -1.229  -9.923
  296   HE22  GLN  39          HE22      GLN  39   0.680  -1.988 -11.033
  297    H    GLY  40           HN       GLY  40  -5.211  -5.413  -6.406
  298    HA2  GLY  40           HA2      GLY  40  -4.084  -7.862  -5.402
  299    HA3  GLY  40           HA1      GLY  40  -5.769  -7.368  -5.297
  300    H    SER  41           HN       SER  41  -3.389  -8.381  -7.728
  301    HA   SER  41           HA       SER  41  -5.327 -10.291  -8.772
  302    HB2  SER  41           HB2      SER  41  -5.602  -8.150 -10.062
  303    HB3  SER  41           HB1      SER  41  -3.925  -8.306 -10.582
  304    HG   SER  41           HG       SER  41  -4.612  -9.570 -12.090
  305    H    SER  42           HN       SER  42  -3.439 -11.242  -7.356
  306    HA   SER  42           HA       SER  42  -1.027 -11.797  -8.835
  307    HB2  SER  42           HB2      SER  42  -2.108 -13.195  -6.373
  308    HB3  SER  42           HB1      SER  42  -0.440 -13.193  -6.947
  309    HG   SER  42           HG       SER  42  -0.214 -11.108  -6.328
  310    H    ARG  43           HN       ARG  43  -1.353 -12.941 -10.685
  311    HA   ARG  43           HA       ARG  43  -2.711 -15.517 -10.496
  312    HB2  ARG  43           HB2      ARG  43  -4.143 -15.017 -12.451
  313    HB3  ARG  43           HB1      ARG  43  -4.529 -14.016 -11.055
  314    HG2  ARG  43           HG2      ARG  43  -3.286 -12.155 -12.046
  315    HG3  ARG  43           HG1      ARG  43  -2.888 -13.165 -13.437
  316    HD2  ARG  43           HD2      ARG  43  -5.671 -12.398 -12.570
  317    HD3  ARG  43           HD1      ARG  43  -4.772 -11.656 -13.893
  318    HE   ARG  43           HE       ARG  43  -4.750 -14.062 -14.810
  319   HH11  ARG  43          HH11      ARG  43  -7.372 -12.654 -12.952
  320   HH12  ARG  43          HH12      ARG  43  -8.589 -13.636 -13.713
  321   HH21  ARG  43          HH21      ARG  43  -6.340 -15.341 -15.793
  322   HH22  ARG  43          HH22      ARG  43  -8.004 -15.171 -15.313
  323    H    ASN  44           HN       ASN  44   0.051 -14.382 -11.124
  324    HA   ASN  44           HA       ASN  44   0.498 -16.058 -13.458
  325    HB2  ASN  44           HB2      ASN  44   0.049 -13.801 -14.398
  326    HB3  ASN  44           HB1      ASN  44   1.402 -13.170 -13.464
  327   HD21  ASN  44          HD21      ASN  44   0.453 -15.227 -16.113
  328   HD22  ASN  44          HD22      ASN  44   2.016 -15.309 -16.865
  329    H    LEU  45           HN       LEU  45   2.381 -13.553 -11.745
  330    HA   LEU  45           HA       LEU  45   4.648 -15.314 -11.587
  331    HB2  LEU  45           HB2      LEU  45   4.198 -12.635 -10.261
  332    HB3  LEU  45           HB1      LEU  45   5.733 -13.470 -10.405
  333    HG   LEU  45           HG       LEU  45   4.117 -12.398 -12.719
  334   HD11  LEU  45          HD11      LEU  45   5.872 -10.726 -12.902
  335   HD12  LEU  45          HD12      LEU  45   6.665 -11.385 -11.471
  336   HD13  LEU  45          HD13      LEU  45   5.078 -10.626 -11.330
  337   HD21  LEU  45          HD21      LEU  45   6.872 -13.616 -12.619
  338   HD22  LEU  45          HD22      LEU  45   6.099 -12.915 -14.042
  339   HD23  LEU  45          HD23      LEU  45   5.432 -14.370 -13.302
  340    H    GLU  46           HN       GLU  46   2.752 -13.597  -9.120
  341    HA   GLU  46           HA       GLU  46   3.446 -15.690  -7.199
  342    HB2  GLU  46           HB2      GLU  46   2.409 -12.887  -6.897
  343    HB3  GLU  46           HB1      GLU  46   2.330 -14.040  -5.570
  344    HG2  GLU  46           HG2      GLU  46   4.821 -13.108  -6.982
  345    HG3  GLU  46           HG1      GLU  46   4.295 -12.649  -5.363
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1 -19.063   7.542   0.305
    2    H2   GLY   1           HT2      GLY   1 -20.681   7.693  -0.180
    3    H3   GLY   1           HT3      GLY   1 -19.917   6.180  -0.236
    4    HA2  GLY   1           HA1      GLY   1 -20.436   7.728   2.242
    5    HA3  GLY   1           HA2      GLY   1 -21.445   6.408   1.664
    6    H    SER   2           HN       SER   2 -20.237   4.324   1.246
    7    HA   SER   2           HA       SER   2 -18.267   3.945   3.408
    8    HB2  SER   2           HB2      SER   2 -20.595   2.949   3.758
    9    HB3  SER   2           HB1      SER   2 -20.215   1.846   2.435
   10    HG   SER   2           HG       SER   2 -18.657   2.155   4.800
   11    H    LEU   3           HN       LEU   3 -17.250   1.586   2.975
   12    HA   LEU   3           HA       LEU   3 -15.731   0.408   1.791
   13    HB2  LEU   3           HB2      LEU   3 -17.723   1.052  -0.356
   14    HB3  LEU   3           HB1      LEU   3 -16.240   0.207  -0.750
   15    HG   LEU   3           HG       LEU   3 -16.872  -1.571   0.868
   16   HD11  LEU   3          HD11      LEU   3 -18.356  -0.234   2.291
   17   HD12  LEU   3          HD12      LEU   3 -19.145  -1.695   1.697
   18   HD13  LEU   3          HD13      LEU   3 -19.515  -0.134   0.967
   19   HD21  LEU   3          HD21      LEU   3 -17.313  -1.814  -1.514
   20   HD22  LEU   3          HD22      LEU   3 -18.872  -1.012  -1.315
   21   HD23  LEU   3          HD23      LEU   3 -18.580  -2.577  -0.555
   22    H    ASP   4           HN       ASP   4 -16.284   2.350  -1.038
   23    HA   ASP   4           HA       ASP   4 -13.612   2.792  -1.607
   24    HB2  ASP   4           HB2      ASP   4 -15.873   4.657  -2.376
   25    HB3  ASP   4           HB1      ASP   4 -14.337   4.469  -3.207
   26    H    GLU   5           HN       GLU   5 -15.843   4.795   0.225
   27    HA   GLU   5           HA       GLU   5 -14.523   7.200   0.284
   28    HB2  GLU   5           HB2      GLU   5 -16.742   6.192   1.471
   29    HB3  GLU   5           HB1      GLU   5 -15.678   6.347   2.863
   30    HG2  GLU   5           HG2      GLU   5 -16.942   8.345   2.690
   31    HG3  GLU   5           HG1      GLU   5 -15.282   8.706   2.207
   32    H    ASP   6           HN       ASP   6 -14.262   4.675   2.756
   33    HA   ASP   6           HA       ASP   6 -12.012   5.867   4.033
   34    HB2  ASP   6           HB2      ASP   6 -13.000   3.015   4.275
   35    HB3  ASP   6           HB1      ASP   6 -11.960   3.871   5.409
   36    H    GLU   7           HN       GLU   7 -12.457   3.497   1.516
   37    HA   GLU   7           HA       GLU   7  -9.885   2.328   1.633
   38    HB2  GLU   7           HB2      GLU   7 -11.991   2.422  -0.523
   39    HB3  GLU   7           HB1      GLU   7 -10.430   1.637  -0.774
   40    HG2  GLU   7           HG2      GLU   7 -10.868   0.213   1.192
   41    HG3  GLU   7           HG1      GLU   7 -12.465   0.947   1.329
   42    H    GLU   8           HN       GLU   8 -11.162   5.033  -0.274
   43    HA   GLU   8           HA       GLU   8  -8.866   5.511  -1.819
   44    HB2  GLU   8           HB2      GLU   8 -10.957   7.431  -0.794
   45    HB3  GLU   8           HB1      GLU   8  -9.725   7.856  -1.974
   46    HG2  GLU   8           HG2      GLU   8 -10.617   6.311  -3.558
   47    HG3  GLU   8           HG1      GLU   8 -11.742   5.663  -2.362
   48    H    ASP   9           HN       ASP   9  -9.797   6.567   1.397
   49    HA   ASP   9           HA       ASP   9  -7.621   8.310   1.856
   50    HB2  ASP   9           HB2      ASP   9  -9.639   8.359   3.238
   51    HB3  ASP   9           HB1      ASP   9  -9.303   6.729   3.812
   52    H    LEU  10           HN       LEU  10  -8.113   4.867   2.526
   53    HA   LEU  10           HA       LEU  10  -5.631   4.403   3.771
   54    HB2  LEU  10           HB2      LEU  10  -7.465   2.564   2.284
   55    HB3  LEU  10           HB1      LEU  10  -6.036   2.027   3.145
   56    HG   LEU  10           HG       LEU  10  -8.490   3.318   4.333
   57   HD11  LEU  10          HD11      LEU  10  -7.456   0.752   5.293
   58   HD12  LEU  10          HD12      LEU  10  -8.025   0.766   3.631
   59   HD13  LEU  10          HD13      LEU  10  -9.112   1.253   4.933
   60   HD21  LEU  10          HD21      LEU  10  -6.564   4.180   5.500
   61   HD22  LEU  10          HD22      LEU  10  -5.869   2.564   5.617
   62   HD23  LEU  10          HD23      LEU  10  -7.340   2.957   6.507
   63    H    GLN  11           HN       GLN  11  -6.651   4.020   0.387
   64    HA   GLN  11           HA       GLN  11  -4.122   3.126  -0.528
   65    HB2  GLN  11           HB2      GLN  11  -6.364   4.460  -2.054
   66    HB3  GLN  11           HB1      GLN  11  -4.976   3.668  -2.789
   67    HG2  GLN  11           HG2      GLN  11  -5.660   1.554  -1.707
   68    HG3  GLN  11           HG1      GLN  11  -7.099   2.367  -1.099
   69   HE21  GLN  11          HE21      GLN  11  -5.697   2.956  -4.252
   70   HE22  GLN  11          HE22      GLN  11  -6.988   2.258  -5.167
   71    H    ARG  12           HN       ARG  12  -5.482   6.294   0.036
   72    HA   ARG  12           HA       ARG  12  -3.520   7.800  -1.315
   73    HB2  ARG  12           HB2      ARG  12  -5.610   8.788  -0.440
   74    HB3  ARG  12           HB1      ARG  12  -5.025   8.541   1.199
   75    HG2  ARG  12           HG2      ARG  12  -4.745  10.858   0.455
   76    HG3  ARG  12           HG1      ARG  12  -3.197  10.090   0.817
   77    HD2  ARG  12           HD2      ARG  12  -3.172  11.452  -1.260
   78    HD3  ARG  12           HD1      ARG  12  -2.748   9.759  -1.521
   79    HE   ARG  12           HE       ARG  12  -5.501  10.699  -1.997
   80   HH11  ARG  12          HH11      ARG  12  -2.490   9.375  -3.224
   81   HH12  ARG  12          HH12      ARG  12  -3.195   8.821  -4.717
   82   HH21  ARG  12          HH21      ARG  12  -6.431   9.963  -3.953
   83   HH22  ARG  12          HH22      ARG  12  -5.443   9.110  -5.104
   84    H    ALA  13           HN       ALA  13  -3.705   6.634   2.034
   85    HA   ALA  13           HA       ALA  13  -1.233   7.565   2.930
   86    HB1  ALA  13           HB1      ALA  13  -1.359   5.709   4.579
   87    HB2  ALA  13           HB2      ALA  13  -2.754   5.073   3.702
   88    HB3  ALA  13           HB3      ALA  13  -2.841   6.659   4.472
   89    H    LEU  14           HN       LEU  14  -2.074   4.661   1.118
   90    HA   LEU  14           HA       LEU  14   0.429   3.395   1.107
   91    HB2  LEU  14           HB2      LEU  14  -2.006   3.331  -0.586
   92    HB3  LEU  14           HB1      LEU  14  -0.534   2.735  -1.327
   93    HG   LEU  14           HG       LEU  14  -0.328   0.976   0.243
   94   HD11  LEU  14          HD11      LEU  14  -2.532   2.320   1.792
   95   HD12  LEU  14          HD12      LEU  14  -0.849   2.110   2.279
   96   HD13  LEU  14          HD13      LEU  14  -1.905   0.707   2.128
   97   HD21  LEU  14          HD21      LEU  14  -2.465  -0.203  -0.014
   98   HD22  LEU  14          HD22      LEU  14  -1.949   0.579  -1.507
   99   HD23  LEU  14          HD23      LEU  14  -3.221   1.306  -0.527
  100    H    ALA  15           HN       ALA  15  -0.977   5.622  -1.302
  101    HA   ALA  15           HA       ALA  15   1.416   5.732  -2.848
  102    HB1  ALA  15           HB1      ALA  15   0.300   7.478  -4.121
  103    HB2  ALA  15           HB2      ALA  15  -0.948   7.609  -2.881
  104    HB3  ALA  15           HB3      ALA  15  -0.797   6.129  -3.830
  105    H    LEU  16           HN       LEU  16   0.122   7.591  -0.198
  106    HA   LEU  16           HA       LEU  16   1.839   9.797  -0.292
  107    HB2  LEU  16           HB2      LEU  16  -0.196   9.490   1.142
  108    HB3  LEU  16           HB1      LEU  16   0.732   8.401   2.148
  109    HG   LEU  16           HG       LEU  16   1.653  11.228   1.743
  110   HD11  LEU  16          HD11      LEU  16   0.357  11.596   3.954
  111   HD12  LEU  16          HD12      LEU  16  -0.601  10.206   3.423
  112   HD13  LEU  16          HD13      LEU  16  -0.524  11.659   2.427
  113   HD21  LEU  16          HD21      LEU  16   2.600  10.884   3.968
  114   HD22  LEU  16          HD22      LEU  16   3.155   9.630   2.858
  115   HD23  LEU  16          HD23      LEU  16   1.889   9.271   4.031
  116    H    SER  17           HN       SER  17   2.139   6.719   1.473
  117    HA   SER  17           HA       SER  17   4.706   7.250   2.500
  118    HB2  SER  17           HB2      SER  17   3.067   5.497   3.315
  119    HB3  SER  17           HB1      SER  17   3.549   4.515   1.932
  120    HG   SER  17           HG       SER  17   5.293   5.499   3.957
  121    H    ARG  18           HN       ARG  18   3.618   6.016  -0.577
  122    HA   ARG  18           HA       ARG  18   6.137   4.850  -1.291
  123    HB2  ARG  18           HB2      ARG  18   5.136   4.119  -3.228
  124    HB3  ARG  18           HB1      ARG  18   3.709   4.343  -2.224
  125    HG2  ARG  18           HG2      ARG  18   3.244   6.455  -3.284
  126    HG3  ARG  18           HG1      ARG  18   4.735   6.348  -4.222
  127    HD2  ARG  18           HD2      ARG  18   3.894   4.341  -5.332
  128    HD3  ARG  18           HD1      ARG  18   2.414   4.430  -4.382
  129    HE   ARG  18           HE       ARG  18   2.416   6.819  -5.582
  130   HH11  ARG  18          HH11      ARG  18   2.918   3.586  -6.856
  131   HH12  ARG  18          HH12      ARG  18   2.316   3.995  -8.438
  132   HH21  ARG  18          HH21      ARG  18   1.562   7.314  -7.654
  133   HH22  ARG  18          HH22      ARG  18   1.552   6.082  -8.881
  134    H    GLN  19           HN       GLN  19   4.651   7.996  -1.668
  135    HA   GLN  19           HA       GLN  19   6.762   8.879  -3.469
  136    HB2  GLN  19           HB2      GLN  19   5.576  11.022  -3.506
  137    HB3  GLN  19           HB1      GLN  19   4.489   9.691  -3.868
  138    HG2  GLN  19           HG2      GLN  19   3.636   9.764  -1.581
  139    HG3  GLN  19           HG1      GLN  19   4.730  11.094  -1.218
  140   HE21  GLN  19          HE21      GLN  19   4.317  13.130  -2.045
  141   HE22  GLN  19          HE22      GLN  19   2.768  13.560  -2.700
  142    H    GLU  20           HN       GLU  20   5.960   8.912  -0.136
  143    HA   GLU  20           HA       GLU  20   7.780  10.997   0.623
  144    HB2  GLU  20           HB2      GLU  20   6.150   8.957   2.120
  145    HB3  GLU  20           HB1      GLU  20   7.331   9.970   2.956
  146    HG2  GLU  20           HG2      GLU  20   4.990  10.961   1.342
  147    HG3  GLU  20           HG1      GLU  20   5.059  10.859   3.100
  148    H    ILE  21           HN       ILE  21   7.855   7.489   0.420
  149    HA   ILE  21           HA       ILE  21  10.668   7.567   1.272
  150    HB   ILE  21           HB       ILE  21   8.563   5.457   1.682
  151   HG12  ILE  21          HG12      ILE  21   9.570   5.495   4.007
  152   HG13  ILE  21          HG11      ILE  21  10.504   6.895   3.500
  153   HG21  ILE  21          HG21      ILE  21  10.309   3.915   2.445
  154   HG22  ILE  21          HG22      ILE  21  11.539   5.052   1.893
  155   HG23  ILE  21          HG23      ILE  21  10.456   4.290   0.728
  156   HD11  ILE  21          HD11      ILE  21   7.506   6.703   3.613
  157   HD12  ILE  21          HD12      ILE  21   8.427   8.108   3.073
  158   HD13  ILE  21          HD13      ILE  21   8.548   7.561   4.747
  159    H    ASP  22           HN       ASP  22  11.942   7.486  -0.469
  160    HA   ASP  22           HA       ASP  22  11.348   5.462  -2.526
  161    HB2  ASP  22           HB2      ASP  22  13.154   7.888  -2.593
  162    HB3  ASP  22           HB1      ASP  22  13.158   6.651  -3.845
  163    H    MET  23           HN       MET  23  12.058   4.411  -0.254
  164    HA   MET  23           HA       MET  23  14.971   4.044  -0.214
  165    HB2  MET  23           HB2      MET  23  13.889   4.957   1.823
  166    HB3  MET  23           HB1      MET  23  12.902   3.513   1.930
  167    HG2  MET  23           HG2      MET  23  14.851   2.164   2.362
  168    HG3  MET  23           HG1      MET  23  15.901   3.565   2.133
  169    HE1  MET  23           HE1      MET  23  16.021   2.851   6.039
  170    HE2  MET  23           HE2      MET  23  16.970   2.929   4.554
  171    HE3  MET  23           HE3      MET  23  15.806   1.623   4.790
  172    H    GLU  24           HN       GLU  24  15.817   2.063  -0.587
  173    HA   GLU  24           HA       GLU  24  13.915  -0.150  -0.999
  174    HB2  GLU  24           HB2      GLU  24  15.014   0.739  -3.065
  175    HB3  GLU  24           HB1      GLU  24  16.567   0.280  -2.385
  176    HG2  GLU  24           HG2      GLU  24  15.752  -1.338  -4.024
  177    HG3  GLU  24           HG1      GLU  24  15.939  -2.050  -2.423
  178    H    ASP  25           HN       ASP  25  14.525  -0.035   1.484
  179    HA   ASP  25           HA       ASP  25  16.919  -1.691   1.953
  180    HB2  ASP  25           HB2      ASP  25  15.970   0.559   3.273
  181    HB3  ASP  25           HB1      ASP  25  15.457  -0.763   4.316
  182    H    GLU  26           HN       GLU  26  15.758  -2.567   4.562
  183    HA   GLU  26           HA       GLU  26  14.342  -4.876   3.621
  184    HB2  GLU  26           HB2      GLU  26  15.897  -4.750   5.644
  185    HB3  GLU  26           HB1      GLU  26  14.575  -3.954   6.490
  186    HG2  GLU  26           HG2      GLU  26  14.563  -6.266   7.065
  187    HG3  GLU  26           HG1      GLU  26  13.164  -5.947   6.039
  188    H    GLU  27           HN       GLU  27  13.476  -1.730   4.613
  189    HA   GLU  27           HA       GLU  27  10.810  -2.393   5.470
  190    HB2  GLU  27           HB2      GLU  27  10.557   0.174   5.394
  191    HB3  GLU  27           HB1      GLU  27  11.618  -0.528   6.603
  192    HG2  GLU  27           HG2      GLU  27  12.683   1.400   5.697
  193    HG3  GLU  27           HG1      GLU  27  13.552  -0.021   5.124
  194    H    ALA  28           HN       ALA  28  12.442  -1.596   2.581
  195    HA   ALA  28           HA       ALA  28  10.431  -0.604   0.963
  196    HB1  ALA  28           HB1      ALA  28  12.806  -0.679   0.378
  197    HB2  ALA  28           HB2      ALA  28  11.790  -1.377  -0.874
  198    HB3  ALA  28           HB3      ALA  28  12.698  -2.428   0.198
  199    H    ASP  29           HN       ASP  29  10.982  -3.817   2.146
  200    HA   ASP  29           HA       ASP  29   9.377  -5.310   0.417
  201    HB2  ASP  29           HB2      ASP  29  10.755  -6.363   2.136
  202    HB3  ASP  29           HB1      ASP  29   9.798  -5.601   3.402
  203    H    LEU  30           HN       LEU  30   8.566  -3.392   3.273
  204    HA   LEU  30           HA       LEU  30   5.775  -3.950   3.193
  205    HB2  LEU  30           HB2      LEU  30   7.368  -1.789   4.567
  206    HB3  LEU  30           HB1      LEU  30   5.630  -1.931   4.722
  207    HG   LEU  30           HG       LEU  30   6.020  -4.266   5.637
  208   HD11  LEU  30          HD11      LEU  30   8.857  -3.269   5.829
  209   HD12  LEU  30          HD12      LEU  30   8.292  -4.611   4.835
  210   HD13  LEU  30          HD13      LEU  30   8.225  -4.725   6.594
  211   HD21  LEU  30          HD21      LEU  30   5.421  -2.404   7.060
  212   HD22  LEU  30          HD22      LEU  30   7.109  -1.901   7.149
  213   HD23  LEU  30          HD23      LEU  30   6.606  -3.429   7.871
  214    H    ARG  31           HN       ARG  31   7.853  -1.460   1.821
  215    HA   ARG  31           HA       ARG  31   5.785   0.229   0.863
  216    HB2  ARG  31           HB2      ARG  31   8.353  -0.156  -0.648
  217    HB3  ARG  31           HB1      ARG  31   7.407   1.307  -0.435
  218    HG2  ARG  31           HG2      ARG  31   8.996  -0.028   1.735
  219    HG3  ARG  31           HG1      ARG  31   9.555   1.331   0.764
  220    HD2  ARG  31           HD2      ARG  31   7.730   2.706   1.616
  221    HD3  ARG  31           HD1      ARG  31   7.134   1.338   2.559
  222    HE   ARG  31           HE       ARG  31   9.886   1.967   3.112
  223   HH11  ARG  31          HH11      ARG  31   6.582   2.868   3.904
  224   HH12  ARG  31          HH12      ARG  31   6.997   3.467   5.482
  225   HH21  ARG  31          HH21      ARG  31  10.430   2.768   5.128
  226   HH22  ARG  31          HH22      ARG  31   9.217   3.436   6.180
  227    H    ARG  32           HN       ARG  32   7.421  -2.600  -0.423
  228    HA   ARG  32           HA       ARG  32   6.119  -2.675  -2.931
  229    HB2  ARG  32           HB2      ARG  32   8.192  -3.925  -2.414
  230    HB3  ARG  32           HB1      ARG  32   7.280  -4.954  -1.315
  231    HG2  ARG  32           HG2      ARG  32   5.972  -5.820  -3.142
  232    HG3  ARG  32           HG1      ARG  32   6.762  -4.715  -4.270
  233    HD2  ARG  32           HD2      ARG  32   8.916  -5.799  -3.794
  234    HD3  ARG  32           HD1      ARG  32   8.098  -6.920  -2.706
  235    HE   ARG  32           HE       ARG  32   6.897  -7.778  -4.644
  236   HH11  ARG  32          HH11      ARG  32   9.798  -5.884  -5.259
  237   HH12  ARG  32          HH12      ARG  32  10.031  -6.566  -6.841
  238   HH21  ARG  32          HH21      ARG  32   7.216  -8.646  -6.707
  239   HH22  ARG  32          HH22      ARG  32   8.560  -8.112  -7.682
  240    H    ALA  33           HN       ALA  33   5.310  -3.912   0.263
  241    HA   ALA  33           HA       ALA  33   3.007  -5.366  -0.479
  242    HB1  ALA  33           HB1      ALA  33   3.557  -3.974   2.141
  243    HB2  ALA  33           HB2      ALA  33   4.099  -5.596   1.711
  244    HB3  ALA  33           HB3      ALA  33   2.375  -5.256   1.861
  245    H    ILE  34           HN       ILE  34   3.600  -1.972   0.079
  246    HA   ILE  34           HA       ILE  34   0.903  -1.092   0.086
  247    HB   ILE  34           HB       ILE  34   3.567   0.176  -0.208
  248   HG12  ILE  34          HG12      ILE  34   2.701   1.702   1.423
  249   HG13  ILE  34          HG11      ILE  34   1.055   1.170   1.107
  250   HG21  ILE  34          HG21      ILE  34   1.212   1.828  -1.024
  251   HG22  ILE  34          HG22      ILE  34   2.131   0.923  -2.210
  252   HG23  ILE  34          HG23      ILE  34   2.935   2.152  -1.243
  253   HD11  ILE  34          HD11      ILE  34   1.955   0.320   3.227
  254   HD12  ILE  34          HD12      ILE  34   3.213  -0.531   2.331
  255   HD13  ILE  34          HD13      ILE  34   1.521  -0.972   2.110
  256    H    GLN  35           HN       GLN  35   3.318  -1.624  -2.415
  257    HA   GLN  35           HA       GLN  35   1.732  -0.782  -4.612
  258    HB2  GLN  35           HB2      GLN  35   4.062  -2.710  -4.520
  259    HB3  GLN  35           HB1      GLN  35   3.374  -2.027  -5.986
  260    HG2  GLN  35           HG2      GLN  35   4.021   0.200  -5.290
  261    HG3  GLN  35           HG1      GLN  35   4.642  -0.437  -3.768
  262   HE21  GLN  35          HE21      GLN  35   6.700   0.363  -4.186
  263   HE22  GLN  35          HE22      GLN  35   7.748  -0.366  -5.351
  264    H    LEU  36           HN       LEU  36   2.172  -3.839  -2.960
  265    HA   LEU  36           HA       LEU  36   0.659  -5.435  -4.748
  266    HB2  LEU  36           HB2      LEU  36   2.260  -6.451  -3.282
  267    HB3  LEU  36           HB1      LEU  36   1.507  -5.749  -1.870
  268    HG   LEU  36           HG       LEU  36   1.196  -8.245  -2.248
  269   HD11  LEU  36          HD11      LEU  36  -1.385  -7.941  -1.751
  270   HD12  LEU  36          HD12      LEU  36  -0.893  -6.243  -1.606
  271   HD13  LEU  36          HD13      LEU  36  -0.146  -7.476  -0.585
  272   HD21  LEU  36          HD21      LEU  36  -0.671  -8.878  -3.732
  273   HD22  LEU  36          HD22      LEU  36   0.708  -8.231  -4.621
  274   HD23  LEU  36          HD23      LEU  36  -0.717  -7.227  -4.350
  275    H    SER  37           HN       SER  37  -0.124  -3.775  -1.702
  276    HA   SER  37           HA       SER  37  -2.820  -4.473  -1.564
  277    HB2  SER  37           HB2      SER  37  -1.564  -3.359   0.261
  278    HB3  SER  37           HB1      SER  37  -1.547  -1.868  -0.679
  279    HG   SER  37           HG       SER  37  -4.036  -2.512  -0.638
  280    H    MET  38           HN       MET  38  -1.182  -2.174  -3.589
  281    HA   MET  38           HA       MET  38  -3.570  -0.841  -4.462
  282    HB2  MET  38           HB2      MET  38  -1.486   0.384  -4.452
  283    HB3  MET  38           HB1      MET  38  -0.726  -0.822  -5.480
  284    HG2  MET  38           HG2      MET  38  -2.222  -0.230  -7.293
  285    HG3  MET  38           HG1      MET  38  -2.989   0.988  -6.277
  286    HE1  MET  38           HE1      MET  38  -1.802   1.670  -9.160
  287    HE2  MET  38           HE2      MET  38  -0.992   3.197  -8.811
  288    HE3  MET  38           HE3      MET  38  -2.566   2.852  -8.095
  289    H    GLN  39           HN       GLN  39  -1.316  -3.236  -5.829
  290    HA   GLN  39           HA       GLN  39  -3.364  -3.906  -7.842
  291    HB2  GLN  39           HB2      GLN  39  -0.377  -4.256  -7.906
  292    HB3  GLN  39           HB1      GLN  39  -1.454  -4.983  -9.083
  293    HG2  GLN  39           HG2      GLN  39  -2.218  -2.724  -9.719
  294    HG3  GLN  39           HG1      GLN  39  -1.037  -2.044  -8.600
  295   HE21  GLN  39          HE21      GLN  39   1.140  -2.161  -9.093
  296   HE22  GLN  39          HE22      GLN  39   1.719  -2.551 -10.677
  297    H    GLY  40           HN       GLY  40  -4.514  -5.366  -6.627
  298    HA2  GLY  40           HA2      GLY  40  -3.480  -7.398  -5.004
  299    HA3  GLY  40           HA1      GLY  40  -5.057  -7.426  -5.780
  300    H    SER  41           HN       SER  41  -4.354  -7.463  -8.440
  301    HA   SER  41           HA       SER  41  -3.259 -10.132  -8.738
  302    HB2  SER  41           HB2      SER  41  -4.279  -8.190 -10.832
  303    HB3  SER  41           HB1      SER  41  -3.890  -9.886 -11.101
  304    HG   SER  41           HG       SER  41  -5.543 -10.399  -9.547
  305    H    SER  42           HN       SER  42  -1.270 -10.615  -9.521
  306    HA   SER  42           HA       SER  42   0.716  -8.567  -9.532
  307    HB2  SER  42           HB2      SER  42   1.006 -11.447 -10.410
  308    HB3  SER  42           HB1      SER  42   2.284 -10.367  -9.847
  309    HG   SER  42           HG       SER  42   1.817 -11.412  -8.032
  310    H    ARG  43           HN       ARG  43  -0.642  -7.475 -11.341
  311    HA   ARG  43           HA       ARG  43  -0.085  -8.530 -13.987
  312    HB2  ARG  43           HB2      ARG  43  -1.395  -6.461 -14.718
  313    HB3  ARG  43           HB1      ARG  43  -2.272  -7.696 -13.829
  314    HG2  ARG  43           HG2      ARG  43  -1.951  -6.335 -11.765
  315    HG3  ARG  43           HG1      ARG  43  -1.263  -5.064 -12.776
  316    HD2  ARG  43           HD2      ARG  43  -3.617  -4.634 -12.328
  317    HD3  ARG  43           HD1      ARG  43  -3.355  -4.942 -14.044
  318    HE   ARG  43           HE       ARG  43  -4.118  -7.306 -13.471
  319   HH11  ARG  43          HH11      ARG  43  -5.238  -4.461 -11.747
  320   HH12  ARG  43          HH12      ARG  43  -6.767  -5.170 -11.328
  321   HH21  ARG  43          HH21      ARG  43  -6.117  -8.227 -12.929
  322   HH22  ARG  43          HH22      ARG  43  -7.278  -7.311 -12.010
  323    H    ASN  44           HN       ASN  44   0.298  -5.225 -12.630
  324    HA   ASN  44           HA       ASN  44   2.706  -4.986 -14.293
  325    HB2  ASN  44           HB2      ASN  44   0.785  -2.938 -13.208
  326    HB3  ASN  44           HB1      ASN  44   2.389  -2.477 -13.771
  327   HD21  ASN  44          HD21      ASN  44   2.579  -4.346 -15.891
  328   HD22  ASN  44          HD22      ASN  44   1.458  -3.864 -17.122
  329    H    LEU  45           HN       LEU  45   3.384  -6.442 -12.375
  330    HA   LEU  45           HA       LEU  45   4.911  -4.712 -10.562
  331    HB2  LEU  45           HB2      LEU  45   3.535  -7.312  -9.861
  332    HB3  LEU  45           HB1      LEU  45   4.729  -6.534  -8.842
  333    HG   LEU  45           HG       LEU  45   2.085  -5.295  -9.616
  334   HD11  LEU  45          HD11      LEU  45   2.929  -6.651  -7.057
  335   HD12  LEU  45          HD12      LEU  45   1.742  -7.255  -8.214
  336   HD13  LEU  45          HD13      LEU  45   1.419  -5.777  -7.307
  337   HD21  LEU  45          HD21      LEU  45   2.608  -3.683  -7.863
  338   HD22  LEU  45          HD22      LEU  45   3.852  -3.674  -9.113
  339   HD23  LEU  45          HD23      LEU  45   4.153  -4.480  -7.573
  340    H    GLU  46           HN       GLU  46   6.987  -5.640  -9.962
  341    HA   GLU  46           HA       GLU  46   7.977  -7.432 -12.053
  342    HB2  GLU  46           HB2      GLU  46   9.489  -5.855  -9.956
  343    HB3  GLU  46           HB1      GLU  46  10.219  -6.801 -11.246
  344    HG2  GLU  46           HG2      GLU  46   9.108  -5.332 -12.894
  345    HG3  GLU  46           HG1      GLU  46   8.504  -4.348 -11.562
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1 -18.270   8.187  -2.598
    2    H2   GLY   1           HT2      GLY   1 -19.706   8.688  -3.338
    3    H3   GLY   1           HT3      GLY   1 -18.214   9.020  -4.071
    4    HA2  GLY   1           HA1      GLY   1 -19.337   7.178  -5.178
    5    HA3  GLY   1           HA2      GLY   1 -17.823   6.674  -4.439
    6    H    SER   2           HN       SER   2 -18.809   4.480  -4.540
    7    HA   SER   2           HA       SER   2 -20.981   3.842  -2.793
    8    HB2  SER   2           HB2      SER   2 -19.038   1.690  -3.270
    9    HB3  SER   2           HB1      SER   2 -20.752   1.762  -3.679
   10    HG   SER   2           HG       SER   2 -18.514   2.646  -5.162
   11    H    LEU   3           HN       LEU   3 -17.564   2.998  -2.599
   12    HA   LEU   3           HA       LEU   3 -17.373   4.106   0.086
   13    HB2  LEU   3           HB2      LEU   3 -17.925   1.735   0.446
   14    HB3  LEU   3           HB1      LEU   3 -16.601   1.263  -0.604
   15    HG   LEU   3           HG       LEU   3 -15.028   2.344   1.008
   16   HD11  LEU   3          HD11      LEU   3 -17.478   2.488   2.752
   17   HD12  LEU   3          HD12      LEU   3 -16.591   3.859   2.089
   18   HD13  LEU   3          HD13      LEU   3 -15.823   2.800   3.271
   19   HD21  LEU   3          HD21      LEU   3 -16.744   0.127   2.111
   20   HD22  LEU   3          HD22      LEU   3 -15.104   0.522   2.624
   21   HD23  LEU   3          HD23      LEU   3 -15.398  -0.069   0.989
   22    H    ASP   4           HN       ASP   4 -16.437   3.774  -2.945
   23    HA   ASP   4           HA       ASP   4 -13.661   3.352  -2.950
   24    HB2  ASP   4           HB2      ASP   4 -15.112   5.006  -5.000
   25    HB3  ASP   4           HB1      ASP   4 -13.795   3.857  -5.240
   26    H    GLU   5           HN       GLU   5 -15.651   6.218  -2.688
   27    HA   GLU   5           HA       GLU   5 -13.671   8.162  -3.088
   28    HB2  GLU   5           HB2      GLU   5 -16.197   8.454  -3.005
   29    HB3  GLU   5           HB1      GLU   5 -16.051   8.432  -1.255
   30    HG2  GLU   5           HG2      GLU   5 -14.699  10.414  -1.291
   31    HG3  GLU   5           HG1      GLU   5 -14.661  10.397  -3.056
   32    H    ASP   6           HN       ASP   6 -14.762   6.458  -0.207
   33    HA   ASP   6           HA       ASP   6 -12.970   7.748   1.594
   34    HB2  ASP   6           HB2      ASP   6 -14.336   5.054   1.801
   35    HB3  ASP   6           HB1      ASP   6 -13.557   5.909   3.127
   36    H    GLU   7           HN       GLU   7 -12.962   4.749  -0.247
   37    HA   GLU   7           HA       GLU   7 -10.558   3.648   0.595
   38    HB2  GLU   7           HB2      GLU   7 -12.060   3.505  -2.002
   39    HB3  GLU   7           HB1      GLU   7 -10.530   2.660  -1.787
   40    HG2  GLU   7           HG2      GLU   7 -12.582   2.288   0.287
   41    HG3  GLU   7           HG1      GLU   7 -12.880   1.539  -1.282
   42    H    GLU   8           HN       GLU   8 -11.151   6.238  -1.698
   43    HA   GLU   8           HA       GLU   8  -8.643   6.334  -2.939
   44    HB2  GLU   8           HB2      GLU   8 -10.655   8.500  -2.331
   45    HB3  GLU   8           HB1      GLU   8  -9.183   8.806  -3.241
   46    HG2  GLU   8           HG2      GLU   8 -11.363   6.876  -4.006
   47    HG3  GLU   8           HG1      GLU   8 -11.079   8.467  -4.715
   48    H    ASP   9           HN       ASP   9  -9.698   7.606   0.181
   49    HA   ASP   9           HA       ASP   9  -7.233   9.042   0.584
   50    HB2  ASP   9           HB2      ASP   9  -9.338   9.811   1.634
   51    HB3  ASP   9           HB1      ASP   9  -9.373   8.337   2.602
   52    H    LEU  10           HN       LEU  10  -8.616   5.961   1.619
   53    HA   LEU  10           HA       LEU  10  -6.475   5.162   3.278
   54    HB2  LEU  10           HB2      LEU  10  -8.351   3.478   1.635
   55    HB3  LEU  10           HB1      LEU  10  -7.293   2.875   2.896
   56    HG   LEU  10           HG       LEU  10  -9.658   4.713   3.229
   57   HD11  LEU  10          HD11      LEU  10 -10.355   2.803   4.727
   58   HD12  LEU  10          HD12      LEU  10  -9.027   1.897   4.000
   59   HD13  LEU  10          HD13      LEU  10 -10.352   2.475   2.993
   60   HD21  LEU  10          HD21      LEU  10  -7.934   5.470   4.729
   61   HD22  LEU  10          HD22      LEU  10  -7.588   3.817   5.232
   62   HD23  LEU  10          HD23      LEU  10  -9.129   4.565   5.657
   63    H    GLN  11           HN       GLN  11  -7.183   4.558  -0.136
   64    HA   GLN  11           HA       GLN  11  -4.796   3.290  -0.852
   65    HB2  GLN  11           HB2      GLN  11  -6.608   3.210  -2.363
   66    HB3  GLN  11           HB1      GLN  11  -6.835   4.950  -2.322
   67    HG2  GLN  11           HG2      GLN  11  -5.929   4.286  -4.435
   68    HG3  GLN  11           HG1      GLN  11  -4.757   5.241  -3.536
   69   HE21  GLN  11          HE21      GLN  11  -3.033   4.409  -4.730
   70   HE22  GLN  11          HE22      GLN  11  -2.462   2.793  -4.523
   71    H    ARG  12           HN       ARG  12  -5.632   6.704  -0.562
   72    HA   ARG  12           HA       ARG  12  -3.242   7.789  -1.587
   73    HB2  ARG  12           HB2      ARG  12  -5.342   9.065  -1.181
   74    HB3  ARG  12           HB1      ARG  12  -5.054   8.940   0.544
   75    HG2  ARG  12           HG2      ARG  12  -2.995  10.197  -1.216
   76    HG3  ARG  12           HG1      ARG  12  -4.421  11.111  -0.727
   77    HD2  ARG  12           HD2      ARG  12  -2.432   9.793   1.118
   78    HD3  ARG  12           HD1      ARG  12  -2.543  11.520   0.781
   79    HE   ARG  12           HE       ARG  12  -4.961  10.304   1.828
   80   HH11  ARG  12          HH11      ARG  12  -2.008  12.063   2.545
   81   HH12  ARG  12          HH12      ARG  12  -2.573  12.600   4.099
   82   HH21  ARG  12          HH21      ARG  12  -5.701  11.008   3.844
   83   HH22  ARG  12          HH22      ARG  12  -4.657  11.977   4.858
   84    H    ALA  13           HN       ALA  13  -4.189   6.869   1.714
   85    HA   ALA  13           HA       ALA  13  -1.826   7.574   3.023
   86    HB1  ALA  13           HB1      ALA  13  -2.501   5.992   4.761
   87    HB2  ALA  13           HB2      ALA  13  -3.688   5.284   3.660
   88    HB3  ALA  13           HB3      ALA  13  -3.873   6.954   4.204
   89    H    LEU  14           HN       LEU  14  -2.670   4.660   1.211
   90    HA   LEU  14           HA       LEU  14  -0.324   3.200   1.782
   91    HB2  LEU  14           HB2      LEU  14  -2.144   3.136  -0.626
   92    HB3  LEU  14           HB1      LEU  14  -0.846   1.988  -0.351
   93    HG   LEU  14           HG       LEU  14  -3.196   2.375   1.509
   94   HD11  LEU  14          HD11      LEU  14  -2.692   0.232  -0.555
   95   HD12  LEU  14          HD12      LEU  14  -3.929   1.487  -0.643
   96   HD13  LEU  14          HD13      LEU  14  -4.013   0.253   0.615
   97   HD21  LEU  14          HD21      LEU  14  -2.424   0.318   2.538
   98   HD22  LEU  14          HD22      LEU  14  -1.139   1.525   2.570
   99   HD23  LEU  14          HD23      LEU  14  -1.092   0.217   1.391
  100    H    ALA  15           HN       ALA  15  -1.146   5.264  -1.008
  101    HA   ALA  15           HA       ALA  15   1.358   5.200  -2.265
  102    HB1  ALA  15           HB1      ALA  15   0.658   7.245  -3.397
  103    HB2  ALA  15           HB2      ALA  15  -0.641   7.462  -2.225
  104    HB3  ALA  15           HB3      ALA  15  -0.671   6.087  -3.328
  105    H    LEU  16           HN       LEU  16   0.064   7.270   0.264
  106    HA   LEU  16           HA       LEU  16   2.168   9.041   0.628
  107    HB2  LEU  16           HB2      LEU  16  -0.061   9.168   1.682
  108    HB3  LEU  16           HB1      LEU  16   0.334   7.790   2.681
  109    HG   LEU  16           HG       LEU  16   1.933  10.329   2.856
  110   HD11  LEU  16          HD11      LEU  16   0.340  10.731   4.862
  111   HD12  LEU  16          HD12      LEU  16  -0.770   9.680   3.967
  112   HD13  LEU  16          HD13      LEU  16  -0.187  11.180   3.241
  113   HD21  LEU  16          HD21      LEU  16   2.312   9.531   5.149
  114   HD22  LEU  16          HD22      LEU  16   2.846   8.345   3.956
  115   HD23  LEU  16          HD23      LEU  16   1.323   8.107   4.814
  116    H    SER  17           HN       SER  17   1.608   5.885   2.178
  117    HA   SER  17           HA       SER  17   3.967   5.844   3.707
  118    HB2  SER  17           HB2      SER  17   2.450   3.469   2.597
  119    HB3  SER  17           HB1      SER  17   3.531   3.469   3.991
  120    HG   SER  17           HG       SER  17   1.262   5.156   3.888
  121    H    ARG  18           HN       ARG  18   3.410   5.266   0.362
  122    HA   ARG  18           HA       ARG  18   5.841   3.763  -0.050
  123    HB2  ARG  18           HB2      ARG  18   4.519   2.996  -1.687
  124    HB3  ARG  18           HB1      ARG  18   3.418   4.355  -1.538
  125    HG2  ARG  18           HG2      ARG  18   4.915   5.690  -2.954
  126    HG3  ARG  18           HG1      ARG  18   5.963   4.282  -3.146
  127    HD2  ARG  18           HD2      ARG  18   4.126   3.045  -4.169
  128    HD3  ARG  18           HD1      ARG  18   3.058   4.430  -3.954
  129    HE   ARG  18           HE       ARG  18   5.389   5.112  -5.459
  130   HH11  ARG  18          HH11      ARG  18   2.231   3.591  -5.708
  131   HH12  ARG  18          HH12      ARG  18   2.084   3.907  -7.406
  132   HH21  ARG  18          HH21      ARG  18   5.193   5.492  -7.708
  133   HH22  ARG  18          HH22      ARG  18   3.746   4.983  -8.532
  134    H    GLN  19           HN       GLN  19   4.747   7.065  -0.306
  135    HA   GLN  19           HA       GLN  19   7.143   7.856  -1.775
  136    HB2  GLN  19           HB2      GLN  19   6.122  10.052  -1.959
  137    HB3  GLN  19           HB1      GLN  19   4.971   8.818  -2.453
  138    HG2  GLN  19           HG2      GLN  19   3.858   8.973  -0.296
  139    HG3  GLN  19           HG1      GLN  19   5.022  10.191   0.225
  140   HE21  GLN  19          HE21      GLN  19   3.441  11.734   0.562
  141   HE22  GLN  19          HE22      GLN  19   2.624  12.519  -0.754
  142    H    GLU  20           HN       GLU  20   5.928   7.686   1.404
  143    HA   GLU  20           HA       GLU  20   7.278   9.556   2.861
  144    HB2  GLU  20           HB2      GLU  20   6.746   6.636   3.350
  145    HB3  GLU  20           HB1      GLU  20   7.633   7.590   4.536
  146    HG2  GLU  20           HG2      GLU  20   4.848   8.155   3.542
  147    HG3  GLU  20           HG1      GLU  20   5.265   7.404   5.082
  148    H    ILE  21           HN       ILE  21   8.593   6.329   2.215
  149    HA   ILE  21           HA       ILE  21  11.243   7.503   1.773
  150    HB   ILE  21           HB       ILE  21  10.736   5.159   3.617
  151   HG12  ILE  21          HG12      ILE  21  10.250   7.381   4.623
  152   HG13  ILE  21          HG11      ILE  21  11.591   6.548   5.404
  153   HG21  ILE  21          HG21      ILE  21  13.337   6.447   2.802
  154   HG22  ILE  21          HG22      ILE  21  12.758   4.864   2.279
  155   HG23  ILE  21          HG23      ILE  21  13.151   5.142   3.976
  156   HD11  ILE  21          HD11      ILE  21  11.966   8.965   5.059
  157   HD12  ILE  21          HD12      ILE  21  11.898   8.680   3.319
  158   HD13  ILE  21          HD13      ILE  21  13.178   7.945   4.284
  159    H    ASP  22           HN       ASP  22  11.162   7.033  -0.392
  160    HA   ASP  22           HA       ASP  22  10.263   4.614  -1.512
  161    HB2  ASP  22           HB2      ASP  22  10.580   6.653  -2.852
  162    HB3  ASP  22           HB1      ASP  22  12.321   6.550  -2.604
  163    H    MET  23           HN       MET  23  13.607   5.737  -1.225
  164    HA   MET  23           HA       MET  23  15.587   4.582  -1.302
  165    HB2  MET  23           HB2      MET  23  14.834   4.802   1.102
  166    HB3  MET  23           HB1      MET  23  14.350   3.113   1.014
  167    HG2  MET  23           HG2      MET  23  16.551   3.372   2.022
  168    HG3  MET  23           HG1      MET  23  16.625   2.455   0.518
  169    HE1  MET  23           HE1      MET  23  19.234   2.793   0.335
  170    HE2  MET  23           HE2      MET  23  19.209   3.665   1.869
  171    HE3  MET  23           HE3      MET  23  20.033   4.361   0.475
  172    H    GLU  24           HN       GLU  24  15.600   3.444  -3.175
  173    HA   GLU  24           HA       GLU  24  14.037   1.096  -3.578
  174    HB2  GLU  24           HB2      GLU  24  15.243   1.069  -5.790
  175    HB3  GLU  24           HB1      GLU  24  14.350   2.538  -5.421
  176    HG2  GLU  24           HG2      GLU  24  16.552   3.486  -4.588
  177    HG3  GLU  24           HG1      GLU  24  17.315   2.098  -5.365
  178    H    ASP  25           HN       ASP  25  15.606   0.409  -1.431
  179    HA   ASP  25           HA       ASP  25  17.066  -1.786  -2.703
  180    HB2  ASP  25           HB2      ASP  25  18.804  -1.780  -1.004
  181    HB3  ASP  25           HB1      ASP  25  18.757  -0.236  -1.835
  182    H    GLU  26           HN       GLU  26  16.144  -0.916   0.649
  183    HA   GLU  26           HA       GLU  26  14.768  -3.523   0.762
  184    HB2  GLU  26           HB2      GLU  26  16.293  -2.059   2.910
  185    HB3  GLU  26           HB1      GLU  26  15.196  -3.389   3.261
  186    HG2  GLU  26           HG2      GLU  26  17.622  -3.543   1.483
  187    HG3  GLU  26           HG1      GLU  26  17.526  -4.124   3.145
  188    H    GLU  27           HN       GLU  27  14.626  -0.108   1.612
  189    HA   GLU  27           HA       GLU  27  12.127  -0.153   2.907
  190    HB2  GLU  27           HB2      GLU  27  13.507   1.974   1.277
  191    HB3  GLU  27           HB1      GLU  27  11.956   2.241   2.063
  192    HG2  GLU  27           HG2      GLU  27  14.428   1.370   3.528
  193    HG3  GLU  27           HG1      GLU  27  13.959   3.057   3.318
  194    H    ALA  28           HN       ALA  28  13.059  -0.063  -0.466
  195    HA   ALA  28           HA       ALA  28  10.576   0.361  -1.662
  196    HB1  ALA  28           HB1      ALA  28  12.801  -1.384  -2.706
  197    HB2  ALA  28           HB2      ALA  28  12.746   0.372  -2.849
  198    HB3  ALA  28           HB3      ALA  28  11.527  -0.615  -3.653
  199    H    ASP  29           HN       ASP  29  11.954  -2.499  -0.221
  200    HA   ASP  29           HA       ASP  29  10.182  -4.425  -1.277
  201    HB2  ASP  29           HB2      ASP  29  12.349  -4.853  -0.022
  202    HB3  ASP  29           HB1      ASP  29  11.471  -4.493   1.459
  203    H    LEU  30           HN       LEU  30  10.092  -2.400   1.604
  204    HA   LEU  30           HA       LEU  30   7.619  -3.383   2.600
  205    HB2  LEU  30           HB2      LEU  30   9.233  -0.906   3.140
  206    HB3  LEU  30           HB1      LEU  30   7.654  -1.131   3.863
  207    HG   LEU  30           HG       LEU  30   8.483  -3.203   4.951
  208   HD11  LEU  30          HD11      LEU  30  11.159  -2.346   3.862
  209   HD12  LEU  30          HD12      LEU  30  10.259  -3.790   3.398
  210   HD13  LEU  30          HD13      LEU  30  10.887  -3.632   5.038
  211   HD21  LEU  30          HD21      LEU  30   8.474  -1.111   6.170
  212   HD22  LEU  30          HD22      LEU  30  10.058  -0.696   5.511
  213   HD23  LEU  30          HD23      LEU  30   9.891  -2.066   6.612
  214    H    ARG  31           HN       ARG  31   8.531  -0.735   0.462
  215    HA   ARG  31           HA       ARG  31   5.944   0.432   0.302
  216    HB2  ARG  31           HB2      ARG  31   8.052   0.524  -1.859
  217    HB3  ARG  31           HB1      ARG  31   6.784   1.700  -1.546
  218    HG2  ARG  31           HG2      ARG  31   9.219   1.144   0.132
  219    HG3  ARG  31           HG1      ARG  31   8.852   2.607  -0.784
  220    HD2  ARG  31           HD2      ARG  31   7.228   3.293   0.719
  221    HD3  ARG  31           HD1      ARG  31   6.992   1.666   1.357
  222    HE   ARG  31           HE       ARG  31   9.594   2.872   1.851
  223   HH11  ARG  31          HH11      ARG  31   6.364   2.307   3.043
  224   HH12  ARG  31          HH12      ARG  31   6.803   2.430   4.719
  225   HH21  ARG  31          HH21      ARG  31  10.209   3.017   4.076
  226   HH22  ARG  31          HH22      ARG  31   8.991   2.820   5.297
  227    H    ARG  32           HN       ARG  32   7.593  -2.128  -1.426
  228    HA   ARG  32           HA       ARG  32   5.632  -2.632  -3.391
  229    HB2  ARG  32           HB2      ARG  32   7.975  -3.544  -3.344
  230    HB3  ARG  32           HB1      ARG  32   7.466  -4.644  -2.072
  231    HG2  ARG  32           HG2      ARG  32   5.738  -5.517  -3.684
  232    HG3  ARG  32           HG1      ARG  32   6.564  -4.581  -4.934
  233    HD2  ARG  32           HD2      ARG  32   7.397  -6.831  -4.995
  234    HD3  ARG  32           HD1      ARG  32   8.665  -5.781  -4.360
  235    HE   ARG  32           HE       ARG  32   6.942  -7.449  -2.635
  236   HH11  ARG  32          HH11      ARG  32  10.103  -6.220  -3.551
  237   HH12  ARG  32          HH12      ARG  32  10.905  -6.929  -2.175
  238   HH21  ARG  32          HH21      ARG  32   8.013  -8.414  -0.860
  239   HH22  ARG  32          HH22      ARG  32   9.724  -8.165  -0.658
  240    H    ALA  33           HN       ALA  33   5.988  -3.624  -0.037
  241    HA   ALA  33           HA       ALA  33   3.860  -5.487   0.033
  242    HB1  ALA  33           HB1      ALA  33   5.592  -5.401   1.761
  243    HB2  ALA  33           HB2      ALA  33   3.980  -5.254   2.461
  244    HB3  ALA  33           HB3      ALA  33   4.997  -3.824   2.281
  245    H    ILE  34           HN       ILE  34   4.018  -2.009   0.286
  246    HA   ILE  34           HA       ILE  34   1.351  -1.588   1.174
  247    HB   ILE  34           HB       ILE  34   3.491   0.101   0.002
  248   HG12  ILE  34          HG12      ILE  34   2.792   1.611   1.849
  249   HG13  ILE  34          HG11      ILE  34   1.509   0.479   2.254
  250   HG21  ILE  34          HG21      ILE  34   1.998   2.006  -0.390
  251   HG22  ILE  34          HG22      ILE  34   0.607   0.955  -0.128
  252   HG23  ILE  34          HG23      ILE  34   1.678   0.672  -1.500
  253   HD11  ILE  34          HD11      ILE  34   4.459  -0.092   2.363
  254   HD12  ILE  34          HD12      ILE  34   3.168  -1.215   2.789
  255   HD13  ILE  34          HD13      ILE  34   3.410   0.250   3.740
  256    H    GLN  35           HN       GLN  35   2.884  -1.862  -1.989
  257    HA   GLN  35           HA       GLN  35   0.450  -1.482  -3.453
  258    HB2  GLN  35           HB2      GLN  35   3.108  -2.639  -4.310
  259    HB3  GLN  35           HB1      GLN  35   1.771  -2.303  -5.401
  260    HG2  GLN  35           HG2      GLN  35   1.898   0.091  -4.612
  261    HG3  GLN  35           HG1      GLN  35   3.416  -0.345  -3.828
  262   HE21  GLN  35          HE21      GLN  35   2.369  -1.746  -6.841
  263   HE22  GLN  35          HE22      GLN  35   3.551  -0.981  -7.844
  264    H    LEU  36           HN       LEU  36   1.875  -4.082  -1.798
  265    HA   LEU  36           HA       LEU  36   0.593  -6.225  -3.165
  266    HB2  LEU  36           HB2      LEU  36   2.575  -6.641  -1.873
  267    HB3  LEU  36           HB1      LEU  36   1.864  -5.939  -0.442
  268    HG   LEU  36           HG       LEU  36   2.129  -8.460  -0.504
  269   HD11  LEU  36          HD11      LEU  36  -0.352  -8.695   0.374
  270   HD12  LEU  36          HD12      LEU  36  -0.288  -6.926   0.257
  271   HD13  LEU  36          HD13      LEU  36   0.878  -7.794   1.261
  272   HD21  LEU  36          HD21      LEU  36   0.333  -9.721  -1.596
  273   HD22  LEU  36          HD22      LEU  36   1.344  -8.868  -2.764
  274   HD23  LEU  36          HD23      LEU  36  -0.248  -8.234  -2.347
  275    H    SER  37           HN       SER  37  -0.116  -4.385  -0.207
  276    HA   SER  37           HA       SER  37  -2.527  -5.519   0.511
  277    HB2  SER  37           HB2      SER  37  -1.803  -2.581   0.631
  278    HB3  SER  37           HB1      SER  37  -3.038  -3.386   1.598
  279    HG   SER  37           HG       SER  37  -1.422  -4.605   2.593
  280    H    MET  38           HN       MET  38  -1.898  -3.058  -1.950
  281    HA   MET  38           HA       MET  38  -4.722  -3.171  -2.751
  282    HB2  MET  38           HB2      MET  38  -4.158  -1.091  -4.080
  283    HB3  MET  38           HB1      MET  38  -4.118  -0.925  -2.333
  284    HG2  MET  38           HG2      MET  38  -2.236   0.221  -2.954
  285    HG3  MET  38           HG1      MET  38  -1.578  -1.376  -2.606
  286    HE1  MET  38           HE1      MET  38  -2.720   1.117  -5.415
  287    HE2  MET  38           HE2      MET  38  -3.668  -0.325  -5.777
  288    HE3  MET  38           HE3      MET  38  -2.392   0.188  -6.879
  289    H    GLN  39           HN       GLN  39  -3.086  -5.348  -3.402
  290    HA   GLN  39           HA       GLN  39  -1.807  -5.159  -5.882
  291    HB2  GLN  39           HB2      GLN  39  -1.949  -7.624  -5.972
  292    HB3  GLN  39           HB1      GLN  39  -1.352  -7.024  -4.433
  293    HG2  GLN  39           HG2      GLN  39  -3.446  -7.471  -3.370
  294    HG3  GLN  39           HG1      GLN  39  -4.201  -7.861  -4.914
  295   HE21  GLN  39          HE21      GLN  39  -3.698  -9.826  -5.922
  296   HE22  GLN  39          HE22      GLN  39  -2.985 -11.133  -5.047
  297    H    GLY  40           HN       GLY  40  -2.899  -4.219  -7.496
  298    HA2  GLY  40           HA2      GLY  40  -5.441  -5.389  -8.360
  299    HA3  GLY  40           HA1      GLY  40  -4.676  -3.951  -9.035
  300    H    SER  41           HN       SER  41  -2.083  -5.137  -9.267
  301    HA   SER  41           HA       SER  41  -2.546  -6.804 -11.619
  302    HB2  SER  41           HB2      SER  41   0.026  -5.496 -10.695
  303    HB3  SER  41           HB1      SER  41  -0.295  -6.207 -12.275
  304    HG   SER  41           HG       SER  41  -0.817  -3.712 -11.395
  305    H    SER  42           HN       SER  42  -2.625  -8.914 -11.139
  306    HA   SER  42           HA       SER  42  -0.681  -9.966  -9.189
  307    HB2  SER  42           HB2      SER  42  -3.290 -11.212 -10.102
  308    HB3  SER  42           HB1      SER  42  -2.231 -11.815  -8.826
  309    HG   SER  42           HG       SER  42  -3.134  -9.186  -8.617
  310    H    ARG  43           HN       ARG  43   0.224  -9.395 -11.692
  311    HA   ARG  43           HA       ARG  43  -0.016 -11.737 -13.405
  312    HB2  ARG  43           HB2      ARG  43  -0.014  -9.318 -14.218
  313    HB3  ARG  43           HB1      ARG  43   1.700  -9.293 -13.836
  314    HG2  ARG  43           HG2      ARG  43   1.937 -11.281 -15.379
  315    HG3  ARG  43           HG1      ARG  43   0.285 -10.943 -15.902
  316    HD2  ARG  43           HD2      ARG  43   2.734  -9.233 -16.202
  317    HD3  ARG  43           HD1      ARG  43   1.640  -9.822 -17.454
  318    HE   ARG  43           HE       ARG  43  -0.056  -8.279 -16.413
  319   HH11  ARG  43          HH11      ARG  43   3.395  -7.679 -16.161
  320   HH12  ARG  43          HH12      ARG  43   3.204  -5.960 -15.960
  321   HH21  ARG  43          HH21      ARG  43  -0.293  -6.003 -16.144
  322   HH22  ARG  43          HH22      ARG  43   1.128  -5.023 -15.931
  323    H    ASN  44           HN       ASN  44   2.425  -9.995 -11.530
  324    HA   ASN  44           HA       ASN  44   4.238 -12.302 -11.859
  325    HB2  ASN  44           HB2      ASN  44   4.964  -9.434 -11.199
  326    HB3  ASN  44           HB1      ASN  44   6.098 -10.763 -11.403
  327   HD21  ASN  44          HD21      ASN  44   5.903  -8.225 -12.819
  328   HD22  ASN  44          HD22      ASN  44   5.719  -8.618 -14.494
  329    H    LEU  45           HN       LEU  45   2.551 -12.948 -10.078
  330    HA   LEU  45           HA       LEU  45   3.599 -12.090  -7.456
  331    HB2  LEU  45           HB2      LEU  45   1.284 -11.353  -7.879
  332    HB3  LEU  45           HB1      LEU  45   0.809 -13.019  -8.140
  333    HG   LEU  45           HG       LEU  45   1.430 -13.519  -5.783
  334   HD11  LEU  45          HD11      LEU  45   3.046 -11.751  -5.419
  335   HD12  LEU  45          HD12      LEU  45   1.741 -11.635  -4.239
  336   HD13  LEU  45          HD13      LEU  45   1.787 -10.531  -5.613
  337   HD21  LEU  45          HD21      LEU  45  -0.517 -12.430  -4.792
  338   HD22  LEU  45          HD22      LEU  45  -0.880 -13.046  -6.406
  339   HD23  LEU  45          HD23      LEU  45  -0.600 -11.322  -6.162
  340    H    GLU  46           HN       GLU  46   2.634 -14.739  -9.495
  341    HA   GLU  46           HA       GLU  46   2.886 -16.732  -7.446
  342    HB2  GLU  46           HB2      GLU  46   2.555 -18.341  -9.295
  343    HB3  GLU  46           HB1      GLU  46   1.315 -17.096  -9.253
  344    HG2  GLU  46           HG2      GLU  46   2.836 -15.898 -10.984
  345    HG3  GLU  46           HG1      GLU  46   3.520 -17.507 -11.216
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1 -18.672   9.006  -4.456
    2    H2   GLY   1           HT2      GLY   1 -19.192   8.652  -6.029
    3    H3   GLY   1           HT3      GLY   1 -18.494   7.435  -5.078
    4    HA2  GLY   1           HA1      GLY   1 -21.093   8.785  -4.616
    5    HA3  GLY   1           HA2      GLY   1 -20.858   7.125  -5.145
    6    H    SER   2           HN       SER   2 -20.200   5.558  -3.647
    7    HA   SER   2           HA       SER   2 -20.740   6.385  -0.880
    8    HB2  SER   2           HB2      SER   2 -20.857   3.580  -1.990
    9    HB3  SER   2           HB1      SER   2 -21.565   4.182  -0.491
   10    HG   SER   2           HG       SER   2 -22.733   4.009  -2.819
   11    H    LEU   3           HN       LEU   3 -18.680   4.155  -2.754
   12    HA   LEU   3           HA       LEU   3 -17.049   3.636  -0.413
   13    HB2  LEU   3           HB2      LEU   3 -16.771   2.676  -3.260
   14    HB3  LEU   3           HB1      LEU   3 -15.811   2.114  -1.904
   15    HG   LEU   3           HG       LEU   3 -18.798   1.781  -2.155
   16   HD11  LEU   3          HD11      LEU   3 -18.274  -0.592  -2.530
   17   HD12  LEU   3          HD12      LEU   3 -16.558  -0.190  -2.583
   18   HD13  LEU   3          HD13      LEU   3 -17.650   0.442  -3.815
   19   HD21  LEU   3          HD21      LEU   3 -18.529   0.248  -0.261
   20   HD22  LEU   3          HD22      LEU   3 -18.051   1.894   0.157
   21   HD23  LEU   3          HD23      LEU   3 -16.821   0.671  -0.168
   22    H    ASP   4           HN       ASP   4 -16.956   5.627  -3.234
   23    HA   ASP   4           HA       ASP   4 -14.263   5.868  -3.776
   24    HB2  ASP   4           HB2      ASP   4 -16.307   8.094  -3.909
   25    HB3  ASP   4           HB1      ASP   4 -14.780   8.038  -4.781
   26    H    GLU   5           HN       GLU   5 -16.116   7.683  -1.356
   27    HA   GLU   5           HA       GLU   5 -14.104   9.516  -0.695
   28    HB2  GLU   5           HB2      GLU   5 -16.264   8.419   1.105
   29    HB3  GLU   5           HB1      GLU   5 -15.357   9.904   1.360
   30    HG2  GLU   5           HG2      GLU   5 -17.219   9.338  -0.925
   31    HG3  GLU   5           HG1      GLU   5 -17.566  10.362   0.470
   32    H    ASP   6           HN       ASP   6 -14.787   6.277   0.483
   33    HA   ASP   6           HA       ASP   6 -12.663   6.347   2.442
   34    HB2  ASP   6           HB2      ASP   6 -14.777   4.968   2.657
   35    HB3  ASP   6           HB1      ASP   6 -14.141   3.925   1.391
   36    H    GLU   7           HN       GLU   7 -13.181   5.188  -0.815
   37    HA   GLU   7           HA       GLU   7 -10.840   3.677  -1.158
   38    HB2  GLU   7           HB2      GLU   7 -12.600   5.172  -3.099
   39    HB3  GLU   7           HB1      GLU   7 -11.192   4.248  -3.626
   40    HG2  GLU   7           HG2      GLU   7 -12.146   2.235  -2.633
   41    HG3  GLU   7           HG1      GLU   7 -13.562   3.157  -2.126
   42    H    GLU   8           HN       GLU   8 -11.491   7.108  -1.867
   43    HA   GLU   8           HA       GLU   8  -8.994   7.762  -2.916
   44    HB2  GLU   8           HB2      GLU   8 -10.922   9.461  -1.326
   45    HB3  GLU   8           HB1      GLU   8  -9.501  10.100  -2.142
   46    HG2  GLU   8           HG2      GLU   8 -11.901   8.799  -3.400
   47    HG3  GLU   8           HG1      GLU   8 -11.392  10.483  -3.531
   48    H    ASP   9           HN       ASP   9 -10.118   7.907   0.440
   49    HA   ASP   9           HA       ASP   9  -7.698   8.853   1.521
   50    HB2  ASP   9           HB2      ASP   9  -9.755   8.984   2.802
   51    HB3  ASP   9           HB1      ASP   9  -9.887   7.226   2.826
   52    H    LEU  10           HN       LEU  10  -8.917   5.587   0.971
   53    HA   LEU  10           HA       LEU  10  -6.893   4.210   2.351
   54    HB2  LEU  10           HB2      LEU  10  -9.095   3.282   1.561
   55    HB3  LEU  10           HB1      LEU  10  -8.432   3.227  -0.056
   56    HG   LEU  10           HG       LEU  10  -8.479   1.051   1.268
   57   HD11  LEU  10          HD11      LEU  10  -6.308   0.303   0.429
   58   HD12  LEU  10          HD12      LEU  10  -5.841   1.980   0.150
   59   HD13  LEU  10          HD13      LEU  10  -7.171   1.272  -0.766
   60   HD21  LEU  10          HD21      LEU  10  -6.756   0.668   2.886
   61   HD22  LEU  10          HD22      LEU  10  -7.685   2.088   3.373
   62   HD23  LEU  10          HD23      LEU  10  -6.098   2.283   2.630
   63    H    GLN  11           HN       GLN  11  -7.220   4.903  -1.161
   64    HA   GLN  11           HA       GLN  11  -4.650   3.843  -1.743
   65    HB2  GLN  11           HB2      GLN  11  -4.911   4.751  -3.968
   66    HB3  GLN  11           HB1      GLN  11  -6.411   4.000  -3.447
   67    HG2  GLN  11           HG2      GLN  11  -7.412   6.136  -3.042
   68    HG3  GLN  11           HG1      GLN  11  -5.884   6.959  -3.357
   69   HE21  GLN  11          HE21      GLN  11  -8.476   7.263  -4.680
   70   HE22  GLN  11          HE22      GLN  11  -8.182   6.950  -6.351
   71    H    ARG  12           HN       ARG  12  -5.763   7.050  -0.837
   72    HA   ARG  12           HA       ARG  12  -3.356   8.417  -1.391
   73    HB2  ARG  12           HB2      ARG  12  -5.361   9.679  -0.871
   74    HB3  ARG  12           HB1      ARG  12  -5.446   8.952   0.727
   75    HG2  ARG  12           HG2      ARG  12  -4.597  11.235   0.821
   76    HG3  ARG  12           HG1      ARG  12  -3.390  10.078   1.379
   77    HD2  ARG  12           HD2      ARG  12  -2.369  10.156  -0.901
   78    HD3  ARG  12           HD1      ARG  12  -3.500  11.450  -1.308
   79    HE   ARG  12           HE       ARG  12  -1.797  11.847   1.029
   80   HH11  ARG  12          HH11      ARG  12  -2.439  12.583  -2.342
   81   HH12  ARG  12          HH12      ARG  12  -1.376  13.960  -2.368
   82   HH21  ARG  12          HH21      ARG  12  -0.384  13.622   0.984
   83   HH22  ARG  12          HH22      ARG  12  -0.182  14.541  -0.482
   84    H    ALA  13           HN       ALA  13  -4.513   6.699   1.495
   85    HA   ALA  13           HA       ALA  13  -2.281   7.122   3.122
   86    HB1  ALA  13           HB1      ALA  13  -3.038   5.177   4.389
   87    HB2  ALA  13           HB2      ALA  13  -4.119   4.729   3.069
   88    HB3  ALA  13           HB3      ALA  13  -4.389   6.225   3.963
   89    H    LEU  14           HN       LEU  14  -2.857   4.765   0.586
   90    HA   LEU  14           HA       LEU  14  -0.593   3.146   1.043
   91    HB2  LEU  14           HB2      LEU  14  -2.040   3.765  -1.534
   92    HB3  LEU  14           HB1      LEU  14  -0.854   2.485  -1.331
   93    HG   LEU  14           HG       LEU  14  -3.438   2.618   0.222
   94   HD11  LEU  14          HD11      LEU  14  -2.789   1.023  -2.251
   95   HD12  LEU  14          HD12      LEU  14  -3.870   2.415  -2.186
   96   HD13  LEU  14          HD13      LEU  14  -4.281   0.936  -1.314
   97   HD21  LEU  14          HD21      LEU  14  -2.946   0.272   0.692
   98   HD22  LEU  14          HD22      LEU  14  -1.646   1.318   1.266
   99   HD23  LEU  14          HD23      LEU  14  -1.444   0.396  -0.225
  100    H    ALA  15           HN       ALA  15  -1.090   5.842  -1.239
  101    HA   ALA  15           HA       ALA  15   1.613   5.979  -2.083
  102    HB1  ALA  15           HB1      ALA  15   1.009   8.138  -3.050
  103    HB2  ALA  15           HB2      ALA  15  -0.498   8.138  -2.133
  104    HB3  ALA  15           HB3      ALA  15  -0.229   6.929  -3.391
  105    H    LEU  16           HN       LEU  16  -0.183   7.429   0.520
  106    HA   LEU  16           HA       LEU  16   1.651   9.297   1.481
  107    HB2  LEU  16           HB2      LEU  16  -0.756   8.869   2.182
  108    HB3  LEU  16           HB1      LEU  16  -0.156   7.531   3.134
  109    HG   LEU  16           HG       LEU  16   0.818  10.342   3.585
  110   HD11  LEU  16          HD11      LEU  16  -1.445   9.006   5.049
  111   HD12  LEU  16          HD12      LEU  16  -1.699  10.127   3.713
  112   HD13  LEU  16          HD13      LEU  16  -0.894  10.678   5.188
  113   HD21  LEU  16          HD21      LEU  16   1.425   9.512   5.753
  114   HD22  LEU  16          HD22      LEU  16   2.075   8.402   4.543
  115   HD23  LEU  16          HD23      LEU  16   0.622   7.974   5.443
  116    H    SER  17           HN       SER  17   1.174   5.893   2.409
  117    HA   SER  17           HA       SER  17   3.385   5.692   4.113
  118    HB2  SER  17           HB2      SER  17   2.108   3.507   2.452
  119    HB3  SER  17           HB1      SER  17   3.127   3.266   3.871
  120    HG   SER  17           HG       SER  17   0.549   4.449   3.740
  121    H    ARG  18           HN       ARG  18   3.132   5.518   0.642
  122    HA   ARG  18           HA       ARG  18   5.678   4.366   0.149
  123    HB2  ARG  18           HB2      ARG  18   3.916   6.084  -1.602
  124    HB3  ARG  18           HB1      ARG  18   5.395   5.316  -2.154
  125    HG2  ARG  18           HG2      ARG  18   4.468   3.133  -1.747
  126    HG3  ARG  18           HG1      ARG  18   3.015   3.848  -1.047
  127    HD2  ARG  18           HD2      ARG  18   2.531   3.182  -3.297
  128    HD3  ARG  18           HD1      ARG  18   2.569   4.941  -3.228
  129    HE   ARG  18           HE       ARG  18   4.881   3.385  -4.197
  130   HH11  ARG  18          HH11      ARG  18   2.513   5.928  -4.621
  131   HH12  ARG  18          HH12      ARG  18   3.206   6.508  -6.102
  132   HH21  ARG  18          HH21      ARG  18   5.766   4.100  -6.152
  133   HH22  ARG  18          HH22      ARG  18   5.044   5.438  -7.000
  134    H    GLN  19           HN       GLN  19   4.531   7.740   0.235
  135    HA   GLN  19           HA       GLN  19   7.156   8.786  -0.241
  136    HB2  GLN  19           HB2      GLN  19   6.186  10.975   0.214
  137    HB3  GLN  19           HB1      GLN  19   5.165  10.061  -0.886
  138    HG2  GLN  19           HG2      GLN  19   3.626   9.554   0.899
  139    HG3  GLN  19           HG1      GLN  19   4.683  10.341   2.072
  140   HE21  GLN  19          HE21      GLN  19   4.830  12.571   2.099
  141   HE22  GLN  19          HE22      GLN  19   3.655  13.586   1.320
  142    H    GLU  20           HN       GLU  20   5.610   7.503   2.467
  143    HA   GLU  20           HA       GLU  20   7.071   8.920   4.469
  144    HB2  GLU  20           HB2      GLU  20   5.612   6.279   4.499
  145    HB3  GLU  20           HB1      GLU  20   6.452   6.915   5.909
  146    HG2  GLU  20           HG2      GLU  20   4.085   8.094   4.485
  147    HG3  GLU  20           HG1      GLU  20   4.156   7.462   6.129
  148    H    ILE  21           HN       ILE  21   7.541   5.880   2.708
  149    HA   ILE  21           HA       ILE  21  10.062   5.366   3.977
  150    HB   ILE  21           HB       ILE  21   8.670   4.075   1.648
  151   HG12  ILE  21          HG12      ILE  21   8.945   2.055   3.115
  152   HG13  ILE  21          HG11      ILE  21   9.620   3.103   4.352
  153   HG21  ILE  21          HG21      ILE  21  10.579   2.494   1.504
  154   HG22  ILE  21          HG22      ILE  21  11.498   3.557   2.572
  155   HG23  ILE  21          HG23      ILE  21  10.985   4.129   0.983
  156   HD11  ILE  21          HD11      ILE  21   6.830   3.238   3.241
  157   HD12  ILE  21          HD12      ILE  21   7.503   4.313   4.466
  158   HD13  ILE  21          HD13      ILE  21   7.306   2.594   4.814
  159    H    ASP  22           HN       ASP  22  11.473   6.938   3.736
  160    HA   ASP  22           HA       ASP  22  12.085   7.903   1.025
  161    HB2  ASP  22           HB2      ASP  22  11.391   9.572   2.791
  162    HB3  ASP  22           HB1      ASP  22  12.858   9.161   3.669
  163    H    MET  23           HN       MET  23  13.024   5.515   1.331
  164    HA   MET  23           HA       MET  23  15.803   5.725   2.283
  165    HB2  MET  23           HB2      MET  23  14.321   4.131   3.535
  166    HB3  MET  23           HB1      MET  23  14.110   3.230   2.041
  167    HG2  MET  23           HG2      MET  23  15.775   2.221   3.534
  168    HG3  MET  23           HG1      MET  23  16.450   2.689   1.975
  169    HE1  MET  23           HE1      MET  23  17.094   5.097   5.862
  170    HE2  MET  23           HE2      MET  23  16.183   3.590   5.798
  171    HE3  MET  23           HE3      MET  23  15.556   5.031   5.004
  172    H    GLU  24           HN       GLU  24  17.434   4.701   0.982
  173    HA   GLU  24           HA       GLU  24  16.604   4.481  -1.833
  174    HB2  GLU  24           HB2      GLU  24  19.327   5.162  -0.715
  175    HB3  GLU  24           HB1      GLU  24  18.888   5.130  -2.418
  176    HG2  GLU  24           HG2      GLU  24  17.290   6.947  -2.032
  177    HG3  GLU  24           HG1      GLU  24  17.757   6.988  -0.331
  178    H    ASP  25           HN       ASP  25  17.154   2.468   0.583
  179    HA   ASP  25           HA       ASP  25  18.130   0.365  -1.180
  180    HB2  ASP  25           HB2      ASP  25  20.157   1.204  -0.078
  181    HB3  ASP  25           HB1      ASP  25  19.404   0.984   1.497
  182    H    GLU  26           HN       GLU  26  17.187  -1.581  -0.781
  183    HA   GLU  26           HA       GLU  26  15.792  -3.149   0.076
  184    HB2  GLU  26           HB2      GLU  26  16.080  -1.583   2.634
  185    HB3  GLU  26           HB1      GLU  26  15.224  -3.115   2.501
  186    HG2  GLU  26           HG2      GLU  26  17.332  -4.150   1.692
  187    HG3  GLU  26           HG1      GLU  26  18.152  -2.625   2.019
  188    H    GLU  27           HN       GLU  27  15.045   0.142   0.173
  189    HA   GLU  27           HA       GLU  27  12.447   0.325   1.013
  190    HB2  GLU  27           HB2      GLU  27  12.248   2.252  -0.502
  191    HB3  GLU  27           HB1      GLU  27  13.768   2.257   0.378
  192    HG2  GLU  27           HG2      GLU  27  14.805   2.524  -1.557
  193    HG3  GLU  27           HG1      GLU  27  14.306   0.889  -1.990
  194    H    ALA  28           HN       ALA  28  13.627  -1.090  -1.951
  195    HA   ALA  28           HA       ALA  28  11.360  -1.057  -3.538
  196    HB1  ALA  28           HB1      ALA  28  12.293  -3.002  -4.665
  197    HB2  ALA  28           HB2      ALA  28  13.396  -3.269  -3.314
  198    HB3  ALA  28           HB3      ALA  28  13.552  -1.819  -4.307
  199    H    ASP  29           HN       ASP  29  12.312  -3.450  -1.091
  200    HA   ASP  29           HA       ASP  29  10.029  -5.094  -1.474
  201    HB2  ASP  29           HB2      ASP  29  12.082  -4.909   0.721
  202    HB3  ASP  29           HB1      ASP  29  10.716  -6.023   0.814
  203    H    LEU  30           HN       LEU  30  10.673  -2.286   0.485
  204    HA   LEU  30           HA       LEU  30   8.370  -2.543   2.145
  205    HB2  LEU  30           HB2      LEU  30  10.210  -0.262   1.495
  206    HB3  LEU  30           HB1      LEU  30   8.750   0.009   2.423
  207    HG   LEU  30           HG       LEU  30   9.571  -1.661   4.095
  208   HD11  LEU  30          HD11      LEU  30  12.123  -1.509   2.500
  209   HD12  LEU  30          HD12      LEU  30  11.088  -2.924   2.687
  210   HD13  LEU  30          HD13      LEU  30  11.937  -2.265   4.082
  211   HD21  LEU  30          HD21      LEU  30   9.841   0.733   4.455
  212   HD22  LEU  30          HD22      LEU  30  11.376   0.701   3.586
  213   HD23  LEU  30          HD23      LEU  30  11.209  -0.163   5.115
  214    H    ARG  31           HN       ARG  31   9.033  -0.967  -0.955
  215    HA   ARG  31           HA       ARG  31   6.499   0.243  -1.296
  216    HB2  ARG  31           HB2      ARG  31   7.967  -0.987  -3.613
  217    HB3  ARG  31           HB1      ARG  31   7.015   0.483  -3.566
  218    HG2  ARG  31           HG2      ARG  31   9.699   0.156  -2.270
  219    HG3  ARG  31           HG1      ARG  31   9.422   0.866  -3.859
  220    HD2  ARG  31           HD2      ARG  31   7.949   2.558  -2.751
  221    HD3  ARG  31           HD1      ARG  31   8.469   1.903  -1.192
  222    HE   ARG  31           HE       ARG  31  10.748   2.500  -2.718
  223   HH11  ARG  31          HH11      ARG  31   8.154   4.128  -1.036
  224   HH12  ARG  31          HH12      ARG  31   9.053   5.583  -0.768
  225   HH21  ARG  31          HH21      ARG  31  11.947   4.409  -2.391
  226   HH22  ARG  31          HH22      ARG  31  11.210   5.759  -1.562
  227    H    ARG  32           HN       ARG  32   7.775  -2.951  -2.058
  228    HA   ARG  32           HA       ARG  32   5.531  -4.073  -3.270
  229    HB2  ARG  32           HB2      ARG  32   7.755  -5.320  -1.645
  230    HB3  ARG  32           HB1      ARG  32   6.593  -6.236  -2.583
  231    HG2  ARG  32           HG2      ARG  32   7.386  -5.319  -4.628
  232    HG3  ARG  32           HG1      ARG  32   8.388  -4.146  -3.770
  233    HD2  ARG  32           HD2      ARG  32   9.725  -6.000  -2.850
  234    HD3  ARG  32           HD1      ARG  32   8.749  -7.143  -3.774
  235    HE   ARG  32           HE       ARG  32   9.622  -5.489  -5.703
  236   HH11  ARG  32          HH11      ARG  32  11.349  -7.117  -3.104
  237   HH12  ARG  32          HH12      ARG  32  12.840  -7.202  -3.991
  238   HH21  ARG  32          HH21      ARG  32  11.588  -5.589  -6.855
  239   HH22  ARG  32          HH22      ARG  32  12.984  -6.332  -6.120
  240    H    ALA  33           HN       ALA  33   6.335  -3.581   0.106
  241    HA   ALA  33           HA       ALA  33   4.327  -5.224   1.228
  242    HB1  ALA  33           HB1      ALA  33   5.582  -2.729   2.364
  243    HB2  ALA  33           HB2      ALA  33   6.199  -4.369   2.538
  244    HB3  ALA  33           HB3      ALA  33   4.659  -3.927   3.268
  245    H    ILE  34           HN       ILE  34   4.366  -1.794   0.292
  246    HA   ILE  34           HA       ILE  34   1.710  -1.218   1.105
  247    HB   ILE  34           HB       ILE  34   3.636   0.085  -0.794
  248   HG12  ILE  34          HG12      ILE  34   3.174   2.049   0.719
  249   HG13  ILE  34          HG11      ILE  34   2.179   0.980   1.702
  250   HG21  ILE  34          HG21      ILE  34   1.923   1.879  -1.202
  251   HG22  ILE  34          HG22      ILE  34   0.709   0.746  -0.603
  252   HG23  ILE  34          HG23      ILE  34   1.646   0.354  -2.043
  253   HD11  ILE  34          HD11      ILE  34   5.128   0.698   1.177
  254   HD12  ILE  34          HD12      ILE  34   4.148  -0.422   2.124
  255   HD13  ILE  34          HD13      ILE  34   4.368   1.239   2.675
  256    H    GLN  35           HN       GLN  35   3.122  -2.457  -1.848
  257    HA   GLN  35           HA       GLN  35   0.765  -2.483  -3.415
  258    HB2  GLN  35           HB2      GLN  35   3.227  -4.225  -3.614
  259    HB3  GLN  35           HB1      GLN  35   1.986  -4.075  -4.850
  260    HG2  GLN  35           HG2      GLN  35   2.530  -1.769  -5.203
  261    HG3  GLN  35           HG1      GLN  35   3.657  -1.789  -3.847
  262   HE21  GLN  35          HE21      GLN  35   4.120  -1.112  -6.616
  263   HE22  GLN  35          HE22      GLN  35   5.355  -2.190  -7.184
  264    H    LEU  36           HN       LEU  36   2.039  -4.625  -1.003
  265    HA   LEU  36           HA       LEU  36   0.423  -6.882  -1.630
  266    HB2  LEU  36           HB2      LEU  36   2.475  -7.210  -0.460
  267    HB3  LEU  36           HB1      LEU  36   2.041  -6.053   0.773
  268    HG   LEU  36           HG       LEU  36   2.026  -8.525   1.398
  269   HD11  LEU  36          HD11      LEU  36  -0.276  -8.178   2.596
  270   HD12  LEU  36          HD12      LEU  36  -0.106  -6.535   1.951
  271   HD13  LEU  36          HD13      LEU  36   1.131  -7.204   3.020
  272   HD21  LEU  36          HD21      LEU  36   0.874  -9.390  -0.554
  273   HD22  LEU  36          HD22      LEU  36  -0.555  -8.436  -0.158
  274   HD23  LEU  36          HD23      LEU  36  -0.043  -9.744   0.910
  275    H    SER  37           HN       SER  37   0.208  -4.259   0.742
  276    HA   SER  37           HA       SER  37  -2.123  -4.993   2.035
  277    HB2  SER  37           HB2      SER  37  -1.286  -2.163   1.373
  278    HB3  SER  37           HB1      SER  37  -2.289  -2.690   2.729
  279    HG   SER  37           HG       SER  37  -0.506  -3.769   3.585
  280    H    MET  38           HN       MET  38  -1.748  -3.242  -1.022
  281    HA   MET  38           HA       MET  38  -4.628  -2.842  -1.170
  282    HB2  MET  38           HB2      MET  38  -4.162  -1.508  -3.176
  283    HB3  MET  38           HB1      MET  38  -3.238  -0.955  -1.789
  284    HG2  MET  38           HG2      MET  38  -1.247  -2.009  -2.644
  285    HG3  MET  38           HG1      MET  38  -2.155  -2.712  -3.979
  286    HE1  MET  38           HE1      MET  38  -4.109  -0.193  -4.633
  287    HE2  MET  38           HE2      MET  38  -3.360  -1.195  -5.875
  288    HE3  MET  38           HE3      MET  38  -3.205   0.558  -5.949
  289    H    GLN  39           HN       GLN  39  -2.115  -4.684  -2.853
  290    HA   GLN  39           HA       GLN  39  -4.233  -5.846  -4.538
  291    HB2  GLN  39           HB2      GLN  39  -1.299  -5.637  -5.205
  292    HB3  GLN  39           HB1      GLN  39  -2.575  -6.218  -6.264
  293    HG2  GLN  39           HG2      GLN  39  -3.572  -3.980  -6.270
  294    HG3  GLN  39           HG1      GLN  39  -2.271  -3.404  -5.229
  295   HE21  GLN  39          HE21      GLN  39  -1.502  -1.920  -6.688
  296   HE22  GLN  39          HE22      GLN  39  -0.706  -2.365  -8.154
  297    H    GLY  40           HN       GLY  40  -4.528  -7.975  -4.468
  298    HA2  GLY  40           HA2      GLY  40  -2.956  -9.551  -2.600
  299    HA3  GLY  40           HA1      GLY  40  -4.401 -10.071  -3.460
  300    H    SER  41           HN       SER  41  -1.178  -8.913  -4.410
  301    HA   SER  41           HA       SER  41  -1.123 -10.808  -6.598
  302    HB2  SER  41           HB2      SER  41  -0.310  -8.404  -6.752
  303    HB3  SER  41           HB1      SER  41   1.058  -8.888  -5.751
  304    HG   SER  41           HG       SER  41   1.093 -10.657  -7.584
  305    H    SER  42           HN       SER  42   0.539 -10.215  -3.542
  306    HA   SER  42           HA       SER  42   2.228 -12.529  -3.795
  307    HB2  SER  42           HB2      SER  42   2.950 -10.587  -2.466
  308    HB3  SER  42           HB1      SER  42   1.578 -10.814  -1.382
  309    HG   SER  42           HG       SER  42   2.565 -12.428  -0.433
  310    H    ARG  43           HN       ARG  43   1.773 -14.558  -3.204
  311    HA   ARG  43           HA       ARG  43  -0.845 -15.029  -1.938
  312    HB2  ARG  43           HB2      ARG  43  -0.723 -17.278  -2.917
  313    HB3  ARG  43           HB1      ARG  43  -0.608 -16.021  -4.140
  314    HG2  ARG  43           HG2      ARG  43   1.844 -16.326  -4.181
  315    HG3  ARG  43           HG1      ARG  43   1.669 -17.648  -3.024
  316    HD2  ARG  43           HD2      ARG  43   1.858 -18.447  -5.347
  317    HD3  ARG  43           HD1      ARG  43   0.324 -18.898  -4.602
  318    HE   ARG  43           HE       ARG  43   0.179 -16.433  -6.067
  319   HH11  ARG  43          HH11      ARG  43   0.111 -19.916  -6.406
  320   HH12  ARG  43          HH12      ARG  43  -0.881 -19.880  -7.830
  321   HH21  ARG  43          HH21      ARG  43  -1.132 -16.385  -7.919
  322   HH22  ARG  43          HH22      ARG  43  -1.605 -17.875  -8.678
  323    H    ASN  44           HN       ASN  44   2.416 -15.043  -1.235
  324    HA   ASN  44           HA       ASN  44   2.061 -16.315   1.282
  325    HB2  ASN  44           HB2      ASN  44   2.170 -18.324  -0.190
  326    HB3  ASN  44           HB1      ASN  44   3.770 -17.817  -0.715
  327   HD21  ASN  44          HD21      ASN  44   4.747 -19.663   0.064
  328   HD22  ASN  44          HD22      ASN  44   4.960 -19.970   1.756
  329    H    LEU  45           HN       LEU  45   4.465 -15.579  -1.216
  330    HA   LEU  45           HA       LEU  45   6.380 -14.375  -1.205
  331    HB2  LEU  45           HB2      LEU  45   5.130 -12.662   0.056
  332    HB3  LEU  45           HB1      LEU  45   5.544 -13.473   1.554
  333    HG   LEU  45           HG       LEU  45   7.929 -13.008   1.150
  334   HD11  LEU  45          HD11      LEU  45   6.925 -11.474  -1.243
  335   HD12  LEU  45          HD12      LEU  45   7.899 -12.943  -1.282
  336   HD13  LEU  45          HD13      LEU  45   8.573 -11.454  -0.623
  337   HD21  LEU  45          HD21      LEU  45   6.141 -10.579   1.036
  338   HD22  LEU  45          HD22      LEU  45   7.831 -10.590   1.539
  339   HD23  LEU  45          HD23      LEU  45   6.623 -11.454   2.491
  340    H    GLU  46           HN       GLU  46   7.689 -16.102  -1.300
  341    HA   GLU  46           HA       GLU  46   8.466 -17.507   1.121
  342    HB2  GLU  46           HB2      GLU  46   9.251 -17.953  -1.765
  343    HB3  GLU  46           HB1      GLU  46   9.662 -19.011  -0.422
  344    HG2  GLU  46           HG2      GLU  46   7.353 -19.569  -0.084
  345    HG3  GLU  46           HG1      GLU  46   6.850 -18.391  -1.297
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1 -22.377   0.236  -1.641
    2    H2   GLY   1           HT2      GLY   1 -23.069  -0.258  -0.170
    3    H3   GLY   1           HT3      GLY   1 -21.386  -0.128  -0.313
    4    HA2  GLY   1           HA1      GLY   1 -23.330   2.113  -0.443
    5    HA3  GLY   1           HA2      GLY   1 -22.274   1.743   0.914
    6    H    SER   2           HN       SER   2 -21.940   4.184   0.182
    7    HA   SER   2           HA       SER   2 -19.884   4.332  -1.888
    8    HB2  SER   2           HB2      SER   2 -21.761   5.988  -1.858
    9    HB3  SER   2           HB1      SER   2 -21.166   6.578  -0.308
   10    HG   SER   2           HG       SER   2 -19.268   6.447  -2.323
   11    H    LEU   3           HN       LEU   3 -18.452   3.046  -0.451
   12    HA   LEU   3           HA       LEU   3 -17.337   4.461   1.824
   13    HB2  LEU   3           HB2      LEU   3 -16.049   2.500   2.264
   14    HB3  LEU   3           HB1      LEU   3 -17.701   2.022   1.930
   15    HG   LEU   3           HG       LEU   3 -15.573   1.935  -0.184
   16   HD11  LEU   3          HD11      LEU   3 -15.263  -0.433   0.332
   17   HD12  LEU   3          HD12      LEU   3 -16.351  -0.280   1.712
   18   HD13  LEU   3          HD13      LEU   3 -14.809   0.575   1.708
   19   HD21  LEU   3          HD21      LEU   3 -17.735   1.782  -1.110
   20   HD22  LEU   3          HD22      LEU   3 -18.286   0.701   0.165
   21   HD23  LEU   3          HD23      LEU   3 -17.128   0.126  -1.038
   22    H    ASP   4           HN       ASP   4 -17.109   5.327  -1.022
   23    HA   ASP   4           HA       ASP   4 -14.558   4.872  -2.076
   24    HB2  ASP   4           HB2      ASP   4 -16.215   7.377  -2.428
   25    HB3  ASP   4           HB1      ASP   4 -15.011   6.733  -3.540
   26    H    GLU   5           HN       GLU   5 -15.711   7.353   0.169
   27    HA   GLU   5           HA       GLU   5 -13.429   8.962   0.178
   28    HB2  GLU   5           HB2      GLU   5 -15.653   9.430   1.315
   29    HB3  GLU   5           HB1      GLU   5 -15.102   8.384   2.620
   30    HG2  GLU   5           HG2      GLU   5 -13.064   9.898   2.750
   31    HG3  GLU   5           HG1      GLU   5 -13.970  11.012   1.729
   32    H    ASP   6           HN       ASP   6 -14.247   6.146   2.182
   33    HA   ASP   6           HA       ASP   6 -11.830   6.129   3.671
   34    HB2  ASP   6           HB2      ASP   6 -13.796   4.959   4.503
   35    HB3  ASP   6           HB1      ASP   6 -13.809   3.912   3.088
   36    H    GLU   7           HN       GLU   7 -12.931   4.551   0.721
   37    HA   GLU   7           HA       GLU   7 -10.676   2.981   0.197
   38    HB2  GLU   7           HB2      GLU   7 -12.752   4.243  -1.588
   39    HB3  GLU   7           HB1      GLU   7 -11.396   3.341  -2.272
   40    HG2  GLU   7           HG2      GLU   7 -12.066   1.384  -0.943
   41    HG3  GLU   7           HG1      GLU   7 -13.453   2.291  -0.337
   42    H    GLU   8           HN       GLU   8 -11.377   6.335  -0.743
   43    HA   GLU   8           HA       GLU   8  -8.966   6.702  -2.164
   44    HB2  GLU   8           HB2      GLU   8 -10.872   8.683  -0.930
   45    HB3  GLU   8           HB1      GLU   8  -9.463   9.160  -1.868
   46    HG2  GLU   8           HG2      GLU   8 -10.378   7.757  -3.745
   47    HG3  GLU   8           HG1      GLU   8 -11.860   7.607  -2.802
   48    H    ASP   9           HN       ASP   9  -9.859   7.440   1.204
   49    HA   ASP   9           HA       ASP   9  -7.376   8.587   1.905
   50    HB2  ASP   9           HB2      ASP   9  -9.599   7.349   3.479
   51    HB3  ASP   9           HB1      ASP   9  -8.068   7.681   4.281
   52    H    LEU  10           HN       LEU  10  -8.495   5.253   1.831
   53    HA   LEU  10           HA       LEU  10  -6.246   4.118   3.115
   54    HB2  LEU  10           HB2      LEU  10  -8.520   3.060   2.680
   55    HB3  LEU  10           HB1      LEU  10  -7.966   2.763   1.046
   56    HG   LEU  10           HG       LEU  10  -7.814   0.819   2.674
   57   HD11  LEU  10          HD11      LEU  10  -5.216   1.640   1.394
   58   HD12  LEU  10          HD12      LEU  10  -6.581   0.940   0.532
   59   HD13  LEU  10          HD13      LEU  10  -5.752   0.002   1.773
   60   HD21  LEU  10          HD21      LEU  10  -6.025   0.763   4.245
   61   HD22  LEU  10          HD22      LEU  10  -6.957   2.232   4.547
   62   HD23  LEU  10          HD23      LEU  10  -5.416   2.322   3.693
   63    H    GLN  11           HN       GLN  11  -7.065   4.314  -0.382
   64    HA   GLN  11           HA       GLN  11  -4.537   3.398  -1.234
   65    HB2  GLN  11           HB2      GLN  11  -5.104   4.275  -3.439
   66    HB3  GLN  11           HB1      GLN  11  -6.465   3.416  -2.734
   67    HG2  GLN  11           HG2      GLN  11  -7.518   5.522  -2.153
   68    HG3  GLN  11           HG1      GLN  11  -6.134   6.406  -2.798
   69   HE21  GLN  11          HE21      GLN  11  -8.953   6.473  -3.576
   70   HE22  GLN  11          HE22      GLN  11  -8.994   6.085  -5.265
   71    H    ARG  12           HN       ARG  12  -5.668   6.585  -0.310
   72    HA   ARG  12           HA       ARG  12  -3.462   8.095  -1.175
   73    HB2  ARG  12           HB2      ARG  12  -5.391   9.264  -0.423
   74    HB3  ARG  12           HB1      ARG  12  -5.359   8.449   1.134
   75    HG2  ARG  12           HG2      ARG  12  -4.614  10.748   1.324
   76    HG3  ARG  12           HG1      ARG  12  -3.318   9.626   1.729
   77    HD2  ARG  12           HD2      ARG  12  -2.459   9.913  -0.603
   78    HD3  ARG  12           HD1      ARG  12  -3.663  11.183  -0.830
   79    HE   ARG  12           HE       ARG  12  -2.344  11.936   1.426
   80   HH11  ARG  12          HH11      ARG  12  -1.349  11.121  -1.841
   81   HH12  ARG  12          HH12      ARG  12   0.065  12.132  -1.807
   82   HH21  ARG  12          HH21      ARG  12  -0.471  13.245   1.497
   83   HH22  ARG  12          HH22      ARG  12   0.580  13.328   0.112
   84    H    ALA  13           HN       ALA  13  -4.077   6.605   2.012
   85    HA   ALA  13           HA       ALA  13  -1.652   7.149   3.217
   86    HB1  ALA  13           HB1      ALA  13  -2.098   5.178   4.633
   87    HB2  ALA  13           HB2      ALA  13  -3.388   4.698   3.526
   88    HB3  ALA  13           HB3      ALA  13  -3.517   6.206   4.431
   89    H    LEU  14           HN       LEU  14  -2.470   4.571   0.960
   90    HA   LEU  14           HA       LEU  14   0.006   3.188   1.175
   91    HB2  LEU  14           HB2      LEU  14  -2.007   3.227  -1.075
   92    HB3  LEU  14           HB1      LEU  14  -0.678   2.089  -0.928
   93    HG   LEU  14           HG       LEU  14  -3.031   2.327   0.947
   94   HD11  LEU  14          HD11      LEU  14  -2.260   0.208  -1.055
   95   HD12  LEU  14          HD12      LEU  14  -3.627   1.318  -1.174
   96   HD13  LEU  14          HD13      LEU  14  -3.593   0.092   0.093
   97   HD21  LEU  14          HD21      LEU  14  -2.105   0.306   2.008
   98   HD22  LEU  14          HD22      LEU  14  -1.038   1.700   2.177
   99   HD23  LEU  14          HD23      LEU  14  -0.672   0.447   0.990
  100    H    ALA  15           HN       ALA  15  -1.251   5.514  -1.226
  101    HA   ALA  15           HA       ALA  15   1.094   5.682  -2.774
  102    HB1  ALA  15           HB1      ALA  15   0.155   7.795  -3.612
  103    HB2  ALA  15           HB2      ALA  15  -1.051   7.754  -2.325
  104    HB3  ALA  15           HB3      ALA  15  -1.048   6.506  -3.572
  105    H    LEU  16           HN       LEU  16   0.002   7.415   0.057
  106    HA   LEU  16           HA       LEU  16   1.959   9.399   0.212
  107    HB2  LEU  16           HB2      LEU  16  -0.203   9.247   1.453
  108    HB3  LEU  16           HB1      LEU  16   0.507   8.004   2.458
  109    HG   LEU  16           HG       LEU  16   1.783  10.709   2.313
  110   HD11  LEU  16          HD11      LEU  16   0.321  11.130   4.410
  111   HD12  LEU  16          HD12      LEU  16  -0.742   9.894   3.715
  112   HD13  LEU  16          HD13      LEU  16  -0.390  11.370   2.815
  113   HD21  LEU  16          HD21      LEU  16   2.492  10.145   4.564
  114   HD22  LEU  16          HD22      LEU  16   2.923   8.830   3.467
  115   HD23  LEU  16          HD23      LEU  16   1.526   8.670   4.532
  116    H    SER  17           HN       SER  17   1.849   6.147   1.669
  117    HA   SER  17           HA       SER  17   4.404   6.396   2.891
  118    HB2  SER  17           HB2      SER  17   4.177   3.857   3.104
  119    HB3  SER  17           HB1      SER  17   2.934   4.838   3.878
  120    HG   SER  17           HG       SER  17   1.488   4.194   2.448
  121    H    ARG  18           HN       ARG  18   3.344   5.450  -0.283
  122    HA   ARG  18           HA       ARG  18   5.713   4.237  -1.196
  123    HB2  ARG  18           HB2      ARG  18   3.631   5.880  -2.629
  124    HB3  ARG  18           HB1      ARG  18   5.016   5.193  -3.461
  125    HG2  ARG  18           HG2      ARG  18   4.275   2.944  -2.712
  126    HG3  ARG  18           HG1      ARG  18   2.822   3.695  -2.045
  127    HD2  ARG  18           HD2      ARG  18   2.389   2.774  -4.267
  128    HD3  ARG  18           HD1      ARG  18   2.230   4.530  -4.267
  129    HE   ARG  18           HE       ARG  18   4.504   3.026  -5.396
  130   HH11  ARG  18          HH11      ARG  18   2.471   5.874  -5.290
  131   HH12  ARG  18          HH12      ARG  18   3.360   6.718  -6.527
  132   HH21  ARG  18          HH21      ARG  18   5.633   4.083  -7.065
  133   HH22  ARG  18          HH22      ARG  18   5.141   5.679  -7.568
  134    H    GLN  19           HN       GLN  19   4.686   7.600  -0.997
  135    HA   GLN  19           HA       GLN  19   7.042   8.766  -2.061
  136    HB2  GLN  19           HB2      GLN  19   5.237  10.001   0.017
  137    HB3  GLN  19           HB1      GLN  19   6.215  10.827  -1.186
  138    HG2  GLN  19           HG2      GLN  19   3.882   9.054  -1.852
  139    HG3  GLN  19           HG1      GLN  19   3.767  10.799  -1.640
  140   HE21  GLN  19          HE21      GLN  19   6.366  11.306  -2.862
  141   HE22  GLN  19          HE22      GLN  19   6.154  11.056  -4.565
  142    H    GLU  20           HN       GLU  20   5.959   7.935   1.167
  143    HA   GLU  20           HA       GLU  20   8.011   9.094   2.665
  144    HB2  GLU  20           HB2      GLU  20   6.210   6.735   3.188
  145    HB3  GLU  20           HB1      GLU  20   7.320   7.376   4.398
  146    HG2  GLU  20           HG2      GLU  20   5.079   8.892   3.075
  147    HG3  GLU  20           HG1      GLU  20   5.058   8.226   4.708
  148    H    ILE  21           HN       ILE  21   7.830   5.975   1.052
  149    HA   ILE  21           HA       ILE  21  10.387   5.163   2.177
  150    HB   ILE  21           HB       ILE  21   8.532   3.768   0.253
  151   HG12  ILE  21          HG12      ILE  21   7.772   3.853   2.577
  152   HG13  ILE  21          HG11      ILE  21   8.190   2.208   2.108
  153   HG21  ILE  21          HG21      ILE  21  10.139   1.782   0.848
  154   HG22  ILE  21          HG22      ILE  21  11.312   3.084   1.080
  155   HG23  ILE  21          HG23      ILE  21  10.510   2.882  -0.477
  156   HD11  ILE  21          HD11      ILE  21   9.821   4.088   3.794
  157   HD12  ILE  21          HD12      ILE  21  10.380   2.522   3.211
  158   HD13  ILE  21          HD13      ILE  21   9.005   2.610   4.312
  159    H    ASP  22           HN       ASP  22   9.236   5.018  -1.165
  160    HA   ASP  22           HA       ASP  22  10.423   5.022  -3.112
  161    HB2  ASP  22           HB2      ASP  22   9.758   7.465  -2.471
  162    HB3  ASP  22           HB1      ASP  22  11.488   7.692  -2.237
  163    H    MET  23           HN       MET  23  11.822   3.402  -1.611
  164    HA   MET  23           HA       MET  23  14.597   4.134  -2.147
  165    HB2  MET  23           HB2      MET  23  13.790   4.410   0.334
  166    HB3  MET  23           HB1      MET  23  13.949   2.660   0.380
  167    HG2  MET  23           HG2      MET  23  16.267   2.764  -0.069
  168    HG3  MET  23           HG1      MET  23  16.174   4.465  -0.526
  169    HE1  MET  23           HE1      MET  23  15.919   6.452   1.166
  170    HE2  MET  23           HE2      MET  23  15.599   6.241   2.888
  171    HE3  MET  23           HE3      MET  23  14.392   5.750   1.700
  172    H    GLU  24           HN       GLU  24  15.752   1.586  -1.253
  173    HA   GLU  24           HA       GLU  24  14.631   0.198  -3.594
  174    HB2  GLU  24           HB2      GLU  24  16.998  -0.038  -4.424
  175    HB3  GLU  24           HB1      GLU  24  16.283   1.567  -4.500
  176    HG2  GLU  24           HG2      GLU  24  17.460   2.147  -2.404
  177    HG3  GLU  24           HG1      GLU  24  18.244   0.567  -2.449
  178    H    ASP  25           HN       ASP  25  16.431  -0.304  -0.570
  179    HA   ASP  25           HA       ASP  25  16.973  -3.048  -1.476
  180    HB2  ASP  25           HB2      ASP  25  18.853  -1.727  -0.501
  181    HB3  ASP  25           HB1      ASP  25  18.009  -1.740   1.044
  182    H    GLU  26           HN       GLU  26  16.652  -2.395   1.939
  183    HA   GLU  26           HA       GLU  26  14.672  -4.498   2.144
  184    HB2  GLU  26           HB2      GLU  26  15.930  -2.703   4.230
  185    HB3  GLU  26           HB1      GLU  26  14.793  -3.994   4.594
  186    HG2  GLU  26           HG2      GLU  26  17.475  -4.339   3.282
  187    HG3  GLU  26           HG1      GLU  26  17.102  -4.678   4.972
  188    H    GLU  27           HN       GLU  27  14.880  -1.071   2.339
  189    HA   GLU  27           HA       GLU  27  12.383  -0.370   3.364
  190    HB2  GLU  27           HB2      GLU  27  13.532   1.237   1.124
  191    HB3  GLU  27           HB1      GLU  27  12.862   1.777   2.654
  192    HG2  GLU  27           HG2      GLU  27  15.139   2.278   2.772
  193    HG3  GLU  27           HG1      GLU  27  14.938   0.818   3.739
  194    H    ALA  28           HN       ALA  28  13.380  -1.453   0.221
  195    HA   ALA  28           HA       ALA  28  11.182  -0.637  -1.311
  196    HB1  ALA  28           HB1      ALA  28  12.905  -3.075  -1.724
  197    HB2  ALA  28           HB2      ALA  28  13.305  -1.443  -2.254
  198    HB3  ALA  28           HB3      ALA  28  11.905  -2.270  -2.935
  199    H    ASP  29           HN       ASP  29  11.671  -3.453   0.753
  200    HA   ASP  29           HA       ASP  29   9.434  -4.931  -0.177
  201    HB2  ASP  29           HB2      ASP  29  11.212  -6.026   1.070
  202    HB3  ASP  29           HB1      ASP  29  10.851  -5.049   2.490
  203    H    LEU  30           HN       LEU  30   9.805  -2.388   2.189
  204    HA   LEU  30           HA       LEU  30   7.260  -2.645   3.394
  205    HB2  LEU  30           HB2      LEU  30   9.132  -0.303   3.088
  206    HB3  LEU  30           HB1      LEU  30   7.564  -0.129   3.852
  207    HG   LEU  30           HG       LEU  30   8.259  -1.878   5.511
  208   HD11  LEU  30          HD11      LEU  30  10.973  -1.469   4.273
  209   HD12  LEU  30          HD12      LEU  30  10.017  -2.951   4.219
  210   HD13  LEU  30          HD13      LEU  30  10.634  -2.356   5.760
  211   HD21  LEU  30          HD21      LEU  30   8.328   0.474   6.076
  212   HD22  LEU  30          HD22      LEU  30   9.927   0.627   5.350
  213   HD23  LEU  30          HD23      LEU  30   9.706  -0.362   6.792
  214    H    ARG  31           HN       ARG  31   8.403  -0.556   0.747
  215    HA   ARG  31           HA       ARG  31   5.826   0.434   0.086
  216    HB2  ARG  31           HB2      ARG  31   7.915   1.576  -0.578
  217    HB3  ARG  31           HB1      ARG  31   8.297   0.241  -1.657
  218    HG2  ARG  31           HG2      ARG  31   6.667   0.859  -3.157
  219    HG3  ARG  31           HG1      ARG  31   5.756   1.770  -1.945
  220    HD2  ARG  31           HD2      ARG  31   6.754   3.526  -2.917
  221    HD3  ARG  31           HD1      ARG  31   8.068   3.094  -1.849
  222    HE   ARG  31           HE       ARG  31   8.597   1.657  -4.084
  223   HH11  ARG  31          HH11      ARG  31   7.942   5.058  -3.512
  224   HH12  ARG  31          HH12      ARG  31   8.980   5.609  -4.794
  225   HH21  ARG  31          HH21      ARG  31   9.927   2.368  -5.786
  226   HH22  ARG  31          HH22      ARG  31  10.103   4.070  -6.107
  227    H    ARG  32           HN       ARG  32   7.647  -2.389  -0.815
  228    HA   ARG  32           HA       ARG  32   6.125  -3.355  -2.950
  229    HB2  ARG  32           HB2      ARG  32   8.253  -4.352  -2.332
  230    HB3  ARG  32           HB1      ARG  32   7.614  -4.828  -0.769
  231    HG2  ARG  32           HG2      ARG  32   5.977  -6.286  -2.004
  232    HG3  ARG  32           HG1      ARG  32   6.908  -5.943  -3.463
  233    HD2  ARG  32           HD2      ARG  32   8.027  -7.149  -0.938
  234    HD3  ARG  32           HD1      ARG  32   7.555  -8.065  -2.367
  235    HE   ARG  32           HE       ARG  32   9.321  -6.318  -3.389
  236   HH11  ARG  32          HH11      ARG  32   9.488  -8.249  -0.477
  237   HH12  ARG  32          HH12      ARG  32  11.181  -8.614  -0.647
  238   HH21  ARG  32          HH21      ARG  32  11.567  -6.752  -3.606
  239   HH22  ARG  32          HH22      ARG  32  12.360  -7.768  -2.438
  240    H    ALA  33           HN       ALA  33   5.755  -3.831   0.555
  241    HA   ALA  33           HA       ALA  33   3.472  -5.479   0.433
  242    HB1  ALA  33           HB1      ALA  33   3.152  -4.929   2.782
  243    HB2  ALA  33           HB2      ALA  33   4.292  -3.591   2.640
  244    HB3  ALA  33           HB3      ALA  33   4.855  -5.252   2.446
  245    H    ILE  34           HN       ILE  34   3.872  -1.991   0.443
  246    HA   ILE  34           HA       ILE  34   1.123  -1.345   0.735
  247    HB   ILE  34           HB       ILE  34   3.584   0.139  -0.028
  248   HG12  ILE  34          HG12      ILE  34   2.707   1.708   1.704
  249   HG13  ILE  34          HG11      ILE  34   1.317   0.652   1.905
  250   HG21  ILE  34          HG21      ILE  34   2.330   2.152  -0.625
  251   HG22  ILE  34          HG22      ILE  34   0.833   1.220  -0.595
  252   HG23  ILE  34          HG23      ILE  34   2.079   0.846  -1.785
  253   HD11  ILE  34          HD11      ILE  34   4.187  -0.017   2.493
  254   HD12  ILE  34          HD12      ILE  34   2.844  -1.152   2.607
  255   HD13  ILE  34          HD13      ILE  34   2.896   0.261   3.661
  256    H    GLN  35           HN       GLN  35   3.246  -1.853  -2.034
  257    HA   GLN  35           HA       GLN  35   1.284  -1.229  -4.004
  258    HB2  GLN  35           HB2      GLN  35   3.653  -1.196  -4.567
  259    HB3  GLN  35           HB1      GLN  35   3.793  -2.911  -4.199
  260    HG2  GLN  35           HG2      GLN  35   2.303  -3.448  -6.038
  261    HG3  GLN  35           HG1      GLN  35   2.099  -1.735  -6.390
  262   HE21  GLN  35          HE21      GLN  35   3.116  -3.936  -8.034
  263   HE22  GLN  35          HE22      GLN  35   4.677  -3.422  -8.577
  264    H    LEU  36           HN       LEU  36   2.063  -4.051  -2.154
  265    HA   LEU  36           HA       LEU  36   0.713  -5.982  -3.699
  266    HB2  LEU  36           HB2      LEU  36   2.351  -6.642  -2.072
  267    HB3  LEU  36           HB1      LEU  36   1.487  -5.837  -0.783
  268    HG   LEU  36           HG       LEU  36   1.414  -8.379  -0.844
  269   HD11  LEU  36          HD11      LEU  36  -1.196  -8.259  -0.447
  270   HD12  LEU  36          HD12      LEU  36  -0.861  -6.517  -0.505
  271   HD13  LEU  36          HD13      LEU  36  -0.042  -7.541   0.679
  272   HD21  LEU  36          HD21      LEU  36   1.006  -8.701  -3.207
  273   HD22  LEU  36          HD22      LEU  36  -0.512  -7.811  -3.092
  274   HD23  LEU  36          HD23      LEU  36  -0.335  -9.360  -2.270
  275    H    SER  37           HN       SER  37  -0.295  -4.039  -0.890
  276    HA   SER  37           HA       SER  37  -2.957  -4.964  -0.872
  277    HB2  SER  37           HB2      SER  37  -3.322  -2.737   0.422
  278    HB3  SER  37           HB1      SER  37  -2.297  -3.984   1.129
  279    HG   SER  37           HG       SER  37  -1.159  -1.982  -0.498
  280    H    MET  38           HN       MET  38  -1.362  -2.849  -3.008
  281    HA   MET  38           HA       MET  38  -3.804  -1.578  -3.935
  282    HB2  MET  38           HB2      MET  38  -0.948  -1.528  -4.900
  283    HB3  MET  38           HB1      MET  38  -2.252  -0.838  -5.851
  284    HG2  MET  38           HG2      MET  38  -2.789   0.660  -3.973
  285    HG3  MET  38           HG1      MET  38  -1.411   0.004  -3.088
  286    HE1  MET  38           HE1      MET  38  -0.647   2.616  -2.836
  287    HE2  MET  38           HE2      MET  38  -1.979   3.147  -3.864
  288    HE3  MET  38           HE3      MET  38  -0.331   3.661  -4.222
  289    H    GLN  39           HN       GLN  39  -1.345  -3.669  -5.406
  290    HA   GLN  39           HA       GLN  39  -3.467  -5.129  -6.791
  291    HB2  GLN  39           HB2      GLN  39  -2.013  -5.192  -8.820
  292    HB3  GLN  39           HB1      GLN  39  -2.602  -3.587  -8.411
  293    HG2  GLN  39           HG2      GLN  39  -0.465  -2.994  -7.468
  294    HG3  GLN  39           HG1      GLN  39   0.141  -4.627  -7.743
  295   HE21  GLN  39          HE21      GLN  39  -0.716  -1.594  -9.206
  296   HE22  GLN  39          HE22      GLN  39   0.020  -1.904 -10.741
  297    H    GLY  40           HN       GLY  40  -3.307  -7.244  -6.434
  298    HA2  GLY  40           HA2      GLY  40  -1.188  -8.914  -6.674
  299    HA3  GLY  40           HA1      GLY  40  -1.017  -8.293  -5.039
  300    H    SER  41           HN       SER  41  -1.302 -10.571  -4.433
  301    HA   SER  41           HA       SER  41  -4.138 -11.365  -4.481
  302    HB2  SER  41           HB2      SER  41  -1.731 -13.194  -4.317
  303    HB3  SER  41           HB1      SER  41  -3.419 -13.680  -4.468
  304    HG   SER  41           HG       SER  41  -3.470 -12.812  -6.529
  305    H    SER  42           HN       SER  42  -4.774 -12.749  -2.643
  306    HA   SER  42           HA       SER  42  -3.093 -12.601  -0.278
  307    HB2  SER  42           HB2      SER  42  -5.978 -11.656  -0.301
  308    HB3  SER  42           HB1      SER  42  -4.968 -11.830   1.137
  309    HG   SER  42           HG       SER  42  -3.826 -10.320  -0.855
  310    H    ARG  43           HN       ARG  43  -4.392 -13.932   1.546
  311    HA   ARG  43           HA       ARG  43  -4.426 -16.562   0.580
  312    HB2  ARG  43           HB2      ARG  43  -5.636 -15.495   3.130
  313    HB3  ARG  43           HB1      ARG  43  -5.316 -17.187   2.785
  314    HG2  ARG  43           HG2      ARG  43  -2.901 -16.614   2.558
  315    HG3  ARG  43           HG1      ARG  43  -3.298 -14.987   3.119
  316    HD2  ARG  43           HD2      ARG  43  -2.547 -16.269   4.997
  317    HD3  ARG  43           HD1      ARG  43  -4.284 -15.996   5.160
  318    HE   ARG  43           HE       ARG  43  -3.657 -18.473   3.858
  319   HH11  ARG  43          HH11      ARG  43  -4.029 -16.894   6.972
  320   HH12  ARG  43          HH12      ARG  43  -4.367 -18.377   7.820
  321   HH21  ARG  43          HH21      ARG  43  -4.113 -20.424   4.965
  322   HH22  ARG  43          HH22      ARG  43  -4.456 -20.375   6.674
  323    H    ASN  44           HN       ASN  44  -7.265 -15.007   2.086
  324    HA   ASN  44           HA       ASN  44  -8.936 -16.579   0.237
  325    HB2  ASN  44           HB2      ASN  44  -9.218 -16.875   2.757
  326    HB3  ASN  44           HB1      ASN  44  -9.847 -15.230   2.787
  327   HD21  ASN  44          HD21      ASN  44 -11.860 -15.912   3.503
  328   HD22  ASN  44          HD22      ASN  44 -12.988 -16.707   2.460
  329    H    LEU  45           HN       LEU  45  -7.730 -14.380  -0.801
  330    HA   LEU  45           HA       LEU  45 -10.016 -12.698  -1.422
  331    HB2  LEU  45           HB2      LEU  45  -8.863 -11.524   0.415
  332    HB3  LEU  45           HB1      LEU  45  -7.372 -11.553  -0.508
  333    HG   LEU  45           HG       LEU  45  -8.479 -10.155  -2.247
  334   HD11  LEU  45          HD11      LEU  45 -10.564  -9.030  -1.705
  335   HD12  LEU  45          HD12      LEU  45 -10.685  -9.943  -0.202
  336   HD13  LEU  45          HD13      LEU  45 -10.795 -10.778  -1.752
  337   HD21  LEU  45          HD21      LEU  45  -8.415  -8.081  -0.935
  338   HD22  LEU  45          HD22      LEU  45  -7.057  -9.144  -0.560
  339   HD23  LEU  45          HD23      LEU  45  -8.424  -9.032   0.549
  340    H    GLU  46           HN       GLU  46 -10.094 -12.298  -3.529
  341    HA   GLU  46           HA       GLU  46  -7.692 -12.863  -5.125
  342    HB2  GLU  46           HB2      GLU  46  -9.363 -13.562  -6.917
  343    HB3  GLU  46           HB1      GLU  46  -9.196 -14.638  -5.536
  344    HG2  GLU  46           HG2      GLU  46 -11.222 -13.648  -4.550
  345    HG3  GLU  46           HG1      GLU  46 -11.402 -12.640  -5.984
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1 -22.712  -1.388  -2.668
    2    H2   GLY   1           HT2      GLY   1 -21.660  -1.836  -1.416
    3    H3   GLY   1           HT3      GLY   1 -21.949  -2.901  -2.702
    4    HA2  GLY   1           HA1      GLY   1 -19.794  -1.859  -2.950
    5    HA3  GLY   1           HA2      GLY   1 -20.886  -1.404  -4.249
    6    H    SER   2           HN       SER   2 -19.348   0.361  -4.493
    7    HA   SER   2           HA       SER   2 -18.786   2.544  -4.373
    8    HB2  SER   2           HB2      SER   2 -21.450   2.719  -2.953
    9    HB3  SER   2           HB1      SER   2 -20.517   4.119  -3.483
   10    HG   SER   2           HG       SER   2 -20.832   3.561  -5.574
   11    H    LEU   3           HN       LEU   3 -17.260   1.269  -2.695
   12    HA   LEU   3           HA       LEU   3 -17.400   2.754  -0.166
   13    HB2  LEU   3           HB2      LEU   3 -15.858   0.298  -0.948
   14    HB3  LEU   3           HB1      LEU   3 -15.556   1.177   0.546
   15    HG   LEU   3           HG       LEU   3 -18.200   0.913   0.702
   16   HD11  LEU   3          HD11      LEU   3 -18.228  -0.393  -1.421
   17   HD12  LEU   3          HD12      LEU   3 -18.963  -1.194  -0.037
   18   HD13  LEU   3          HD13      LEU   3 -17.355  -1.672  -0.574
   19   HD21  LEU   3          HD21      LEU   3 -16.177  -1.150   1.571
   20   HD22  LEU   3          HD22      LEU   3 -17.797  -0.956   2.242
   21   HD23  LEU   3          HD23      LEU   3 -16.600   0.324   2.439
   22    H    ASP   4           HN       ASP   4 -16.696   3.739  -2.745
   23    HA   ASP   4           HA       ASP   4 -13.950   4.140  -3.147
   24    HB2  ASP   4           HB2      ASP   4 -16.264   5.946  -3.889
   25    HB3  ASP   4           HB1      ASP   4 -14.635   6.065  -4.548
   26    H    GLU   5           HN       GLU   5 -16.293   5.900  -1.229
   27    HA   GLU   5           HA       GLU   5 -14.868   8.203  -0.646
   28    HB2  GLU   5           HB2      GLU   5 -16.698   6.708   1.239
   29    HB3  GLU   5           HB1      GLU   5 -16.281   8.414   1.319
   30    HG2  GLU   5           HG2      GLU   5 -17.789   7.101  -0.925
   31    HG3  GLU   5           HG1      GLU   5 -18.515   8.022   0.391
   32    H    ASP   6           HN       ASP   6 -14.706   5.009   0.829
   33    HA   ASP   6           HA       ASP   6 -12.678   5.824   2.731
   34    HB2  ASP   6           HB2      ASP   6 -13.906   3.155   2.039
   35    HB3  ASP   6           HB1      ASP   6 -12.563   3.304   3.167
   36    H    GLU   7           HN       GLU   7 -12.882   4.032  -0.292
   37    HA   GLU   7           HA       GLU   7 -10.311   2.973  -0.351
   38    HB2  GLU   7           HB2      GLU   7 -12.161   3.769  -2.592
   39    HB3  GLU   7           HB1      GLU   7 -10.620   2.960  -2.865
   40    HG2  GLU   7           HG2      GLU   7 -11.453   1.140  -1.325
   41    HG3  GLU   7           HG1      GLU   7 -13.037   1.911  -1.430
   42    H    GLU   8           HN       GLU   8 -11.450   6.143  -1.458
   43    HA   GLU   8           HA       GLU   8  -9.108   6.952  -2.757
   44    HB2  GLU   8           HB2      GLU   8 -11.160   8.600  -1.275
   45    HB3  GLU   8           HB1      GLU   8  -9.920   9.269  -2.327
   46    HG2  GLU   8           HG2      GLU   8 -11.976   7.276  -3.239
   47    HG3  GLU   8           HG1      GLU   8 -12.185   9.022  -3.356
   48    H    ASP   9           HN       ASP   9 -10.067   7.349   0.652
   49    HA   ASP   9           HA       ASP   9  -7.637   8.678   1.368
   50    HB2  ASP   9           HB2      ASP   9  -9.725   8.980   2.658
   51    HB3  ASP   9           HB1      ASP   9  -9.646   7.294   3.164
   52    H    LEU  10           HN       LEU  10  -8.728   5.369   1.282
   53    HA   LEU  10           HA       LEU  10  -6.617   4.186   2.740
   54    HB2  LEU  10           HB2      LEU  10  -8.865   3.212   1.811
   55    HB3  LEU  10           HB1      LEU  10  -7.918   2.842   0.385
   56    HG   LEU  10           HG       LEU  10  -8.105   0.890   1.796
   57   HD11  LEU  10          HD11      LEU  10  -5.333   2.060   1.944
   58   HD12  LEU  10          HD12      LEU  10  -6.006   1.114   0.617
   59   HD13  LEU  10          HD13      LEU  10  -5.745   0.363   2.191
   60   HD21  LEU  10          HD21      LEU  10  -8.545   1.597   3.928
   61   HD22  LEU  10          HD22      LEU  10  -7.264   2.803   3.901
   62   HD23  LEU  10          HD23      LEU  10  -6.859   1.094   4.081
   63    H    GLN  11           HN       GLN  11  -7.082   4.720  -0.754
   64    HA   GLN  11           HA       GLN  11  -4.522   3.838  -1.541
   65    HB2  GLN  11           HB2      GLN  11  -6.346   5.841  -2.889
   66    HB3  GLN  11           HB1      GLN  11  -4.952   5.075  -3.639
   67    HG2  GLN  11           HG2      GLN  11  -6.018   2.895  -3.411
   68    HG3  GLN  11           HG1      GLN  11  -7.406   3.654  -2.631
   69   HE21  GLN  11          HE21      GLN  11  -8.868   3.027  -4.163
   70   HE22  GLN  11          HE22      GLN  11  -8.905   3.681  -5.762
   71    H    ARG  12           HN       ARG  12  -5.749   6.986  -0.514
   72    HA   ARG  12           HA       ARG  12  -3.469   8.521  -0.991
   73    HB2  ARG  12           HB2      ARG  12  -5.574   9.520  -0.240
   74    HB3  ARG  12           HB1      ARG  12  -5.396   8.738   1.329
   75    HG2  ARG  12           HG2      ARG  12  -4.710  11.007   1.560
   76    HG3  ARG  12           HG1      ARG  12  -3.266   9.998   1.629
   77    HD2  ARG  12           HD2      ARG  12  -2.581  11.667   0.191
   78    HD3  ARG  12           HD1      ARG  12  -3.178  10.453  -0.939
   79    HE   ARG  12           HE       ARG  12  -4.869  12.702  -0.050
   80   HH11  ARG  12          HH11      ARG  12  -3.385  10.827  -2.621
   81   HH12  ARG  12          HH12      ARG  12  -4.380  11.521  -3.869
   82   HH21  ARG  12          HH21      ARG  12  -6.182  13.603  -1.696
   83   HH22  ARG  12          HH22      ARG  12  -5.955  13.104  -3.347
   84    H    ALA  13           HN       ALA  13  -4.332   6.582   1.860
   85    HA   ALA  13           HA       ALA  13  -2.052   7.134   3.391
   86    HB1  ALA  13           HB1      ALA  13  -2.617   5.082   4.627
   87    HB2  ALA  13           HB2      ALA  13  -3.776   4.653   3.364
   88    HB3  ALA  13           HB3      ALA  13  -4.029   6.099   4.342
   89    H    LEU  14           HN       LEU  14  -2.657   4.677   0.938
   90    HA   LEU  14           HA       LEU  14  -0.228   3.270   1.234
   91    HB2  LEU  14           HB2      LEU  14  -1.986   3.598  -1.201
   92    HB3  LEU  14           HB1      LEU  14  -0.691   2.422  -1.045
   93    HG   LEU  14           HG       LEU  14  -3.174   2.501   0.674
   94   HD11  LEU  14          HD11      LEU  14  -2.416   0.678  -1.603
   95   HD12  LEU  14          HD12      LEU  14  -3.708   1.879  -1.607
   96   HD13  LEU  14          HD13      LEU  14  -3.814   0.473  -0.547
   97   HD21  LEU  14          HD21      LEU  14  -2.406   0.284   1.425
   98   HD22  LEU  14          HD22      LEU  14  -1.284   1.570   1.868
   99   HD23  LEU  14          HD23      LEU  14  -0.914   0.508   0.510
  100    H    ALA  15           HN       ALA  15  -1.184   5.840  -1.043
  101    HA   ALA  15           HA       ALA  15   1.371   6.098  -2.245
  102    HB1  ALA  15           HB1      ALA  15   0.514   8.173  -3.182
  103    HB2  ALA  15           HB2      ALA  15  -0.843   8.138  -2.056
  104    HB3  ALA  15           HB3      ALA  15  -0.695   6.895  -3.298
  105    H    LEU  16           HN       LEU  16  -0.172   7.587   0.522
  106    HA   LEU  16           HA       LEU  16   1.650   9.592   1.127
  107    HB2  LEU  16           HB2      LEU  16  -0.570   9.102   2.210
  108    HB3  LEU  16           HB1      LEU  16   0.208   7.806   3.089
  109    HG   LEU  16           HG       LEU  16   1.241  10.608   3.351
  110   HD11  LEU  16          HD11      LEU  16  -0.335  10.626   5.406
  111   HD12  LEU  16          HD12      LEU  16  -1.253   9.416   4.493
  112   HD13  LEU  16          HD13      LEU  16  -0.990  11.023   3.818
  113   HD21  LEU  16          HD21      LEU  16   1.911   9.823   5.544
  114   HD22  LEU  16          HD22      LEU  16   2.505   8.704   4.313
  115   HD23  LEU  16          HD23      LEU  16   1.089   8.286   5.279
  116    H    SER  17           HN       SER  17   1.588   6.192   2.214
  117    HA   SER  17           HA       SER  17   4.042   6.281   3.588
  118    HB2  SER  17           HB2      SER  17   2.335   4.501   3.896
  119    HB3  SER  17           HB1      SER  17   2.736   3.873   2.297
  120    HG   SER  17           HG       SER  17   5.022   3.986   3.402
  121    H    ARG  18           HN       ARG  18   3.268   5.838   0.209
  122    HA   ARG  18           HA       ARG  18   5.740   4.770  -0.638
  123    HB2  ARG  18           HB2      ARG  18   3.663   6.402  -2.092
  124    HB3  ARG  18           HB1      ARG  18   5.097   5.765  -2.882
  125    HG2  ARG  18           HG2      ARG  18   4.406   3.492  -2.306
  126    HG3  ARG  18           HG1      ARG  18   2.961   4.136  -1.523
  127    HD2  ARG  18           HD2      ARG  18   2.153   5.010  -3.613
  128    HD3  ARG  18           HD1      ARG  18   3.654   4.573  -4.425
  129    HE   ARG  18           HE       ARG  18   2.015   2.457  -3.234
  130   HH11  ARG  18          HH11      ARG  18   3.244   4.076  -6.076
  131   HH12  ARG  18          HH12      ARG  18   2.886   2.755  -7.148
  132   HH21  ARG  18          HH21      ARG  18   1.511   0.718  -4.646
  133   HH22  ARG  18          HH22      ARG  18   1.911   0.839  -6.332
  134    H    GLN  19           HN       GLN  19   4.569   8.128  -0.474
  135    HA   GLN  19           HA       GLN  19   7.072   9.218  -1.344
  136    HB2  GLN  19           HB2      GLN  19   6.121  11.394  -0.788
  137    HB3  GLN  19           HB1      GLN  19   4.966  10.433  -1.700
  138    HG2  GLN  19           HG2      GLN  19   3.797   9.880   0.373
  139    HG3  GLN  19           HG1      GLN  19   4.954  10.854   1.277
  140   HE21  GLN  19          HE21      GLN  19   2.055  11.115   1.007
  141   HE22  GLN  19          HE22      GLN  19   1.774  12.722   0.428
  142    H    GLU  20           HN       GLU  20   5.945   7.967   1.572
  143    HA   GLU  20           HA       GLU  20   7.720   9.443   3.294
  144    HB2  GLU  20           HB2      GLU  20   6.019   6.986   3.700
  145    HB3  GLU  20           HB1      GLU  20   7.095   7.604   4.945
  146    HG2  GLU  20           HG2      GLU  20   4.777   9.064   3.703
  147    HG3  GLU  20           HG1      GLU  20   4.840   8.372   5.325
  148    H    ILE  21           HN       ILE  21   7.968   6.780   1.179
  149    HA   ILE  21           HA       ILE  21  10.125   5.488   2.564
  150    HB   ILE  21           HB       ILE  21   9.224   5.110  -0.295
  151   HG12  ILE  21          HG12      ILE  21   7.472   4.601   1.349
  152   HG13  ILE  21          HG11      ILE  21   8.040   3.148   0.530
  153   HG21  ILE  21          HG21      ILE  21  11.000   3.404   1.442
  154   HG22  ILE  21          HG22      ILE  21  11.511   4.350   0.042
  155   HG23  ILE  21          HG23      ILE  21  10.423   2.976  -0.169
  156   HD11  ILE  21          HD11      ILE  21   8.738   4.060   3.304
  157   HD12  ILE  21          HD12      ILE  21   9.470   2.684   2.486
  158   HD13  ILE  21          HD13      ILE  21   7.745   2.673   2.850
  159    H    ASP  22           HN       ASP  22  10.215   6.616  -0.798
  160    HA   ASP  22           HA       ASP  22  12.047   7.249  -2.037
  161    HB2  ASP  22           HB2      ASP  22  10.880   9.336  -1.062
  162    HB3  ASP  22           HB1      ASP  22  12.283   9.456  -0.002
  163    H    MET  23           HN       MET  23  13.064   5.250  -0.871
  164    HA   MET  23           HA       MET  23  15.400   6.098   0.714
  165    HB2  MET  23           HB2      MET  23  13.573   4.876   1.956
  166    HB3  MET  23           HB1      MET  23  13.894   3.482   0.938
  167    HG2  MET  23           HG2      MET  23  16.102   3.257   1.841
  168    HG3  MET  23           HG1      MET  23  15.936   4.766   2.736
  169    HE1  MET  23           HE1      MET  23  12.964   4.585   3.797
  170    HE2  MET  23           HE2      MET  23  14.315   5.087   4.814
  171    HE3  MET  23           HE3      MET  23  13.202   3.845   5.380
  172    H    GLU  24           HN       GLU  24  17.274   4.674   0.523
  173    HA   GLU  24           HA       GLU  24  17.655   3.981  -2.275
  174    HB2  GLU  24           HB2      GLU  24  19.278   5.443  -1.178
  175    HB3  GLU  24           HB1      GLU  24  19.603   4.209   0.029
  176    HG2  GLU  24           HG2      GLU  24  20.386   2.738  -1.864
  177    HG3  GLU  24           HG1      GLU  24  20.298   4.168  -2.891
  178    H    ASP  25           HN       ASP  25  17.741   2.443   0.908
  179    HA   ASP  25           HA       ASP  25  17.949  -0.161  -0.460
  180    HB2  ASP  25           HB2      ASP  25  20.040   0.495   0.798
  181    HB3  ASP  25           HB1      ASP  25  19.090   0.420   2.280
  182    H    GLU  26           HN       GLU  26  16.859  -1.924   0.542
  183    HA   GLU  26           HA       GLU  26  15.231  -3.005   1.709
  184    HB2  GLU  26           HB2      GLU  26  15.269  -0.543   3.441
  185    HB3  GLU  26           HB1      GLU  26  14.295  -1.969   3.776
  186    HG2  GLU  26           HG2      GLU  26  16.308  -3.320   3.966
  187    HG3  GLU  26           HG1      GLU  26  17.297  -1.911   3.583
  188    H    GLU  27           HN       GLU  27  14.728   0.068   0.358
  189    HA   GLU  27           HA       GLU  27  12.056   0.567   0.771
  190    HB2  GLU  27           HB2      GLU  27  12.122   1.914  -1.275
  191    HB3  GLU  27           HB1      GLU  27  13.533   2.178  -0.267
  192    HG2  GLU  27           HG2      GLU  27  14.452   2.088  -2.367
  193    HG3  GLU  27           HG1      GLU  27  14.656   0.429  -1.814
  194    H    ALA  28           HN       ALA  28  13.470  -1.837  -1.287
  195    HA   ALA  28           HA       ALA  28  11.386  -2.318  -3.075
  196    HB1  ALA  28           HB1      ALA  28  12.362  -4.543  -3.350
  197    HB2  ALA  28           HB2      ALA  28  13.319  -4.311  -1.887
  198    HB3  ALA  28           HB3      ALA  28  13.614  -3.304  -3.303
  199    H    ASP  29           HN       ASP  29  11.993  -3.702   0.132
  200    HA   ASP  29           HA       ASP  29   9.787  -5.480   0.085
  201    HB2  ASP  29           HB2      ASP  29  11.663  -5.893   1.562
  202    HB3  ASP  29           HB1      ASP  29  11.391  -4.365   2.397
  203    H    LEU  30           HN       LEU  30  10.284  -2.300   1.548
  204    HA   LEU  30           HA       LEU  30   7.734  -2.105   2.735
  205    HB2  LEU  30           HB2      LEU  30   9.778  -0.038   1.949
  206    HB3  LEU  30           HB1      LEU  30   8.243   0.412   2.663
  207    HG   LEU  30           HG       LEU  30   8.825  -0.991   4.655
  208   HD11  LEU  30          HD11      LEU  30  11.547  -1.112   3.372
  209   HD12  LEU  30          HD12      LEU  30  10.445  -2.473   3.579
  210   HD13  LEU  30          HD13      LEU  30  11.130  -1.671   4.993
  211   HD21  LEU  30          HD21      LEU  30   9.141   1.419   4.670
  212   HD22  LEU  30          HD22      LEU  30  10.749   1.222   3.973
  213   HD23  LEU  30          HD23      LEU  30  10.409   0.608   5.590
  214    H    ARG  31           HN       ARG  31   8.983  -1.083  -0.417
  215    HA   ARG  31           HA       ARG  31   6.676   0.172  -1.374
  216    HB2  ARG  31           HB2      ARG  31   9.159  -0.608  -2.413
  217    HB3  ARG  31           HB1      ARG  31   7.945  -1.277  -3.487
  218    HG2  ARG  31           HG2      ARG  31   8.459   0.819  -4.386
  219    HG3  ARG  31           HG1      ARG  31   6.946   1.074  -3.511
  220    HD2  ARG  31           HD2      ARG  31   8.224   1.938  -1.595
  221    HD3  ARG  31           HD1      ARG  31   9.717   1.730  -2.512
  222    HE   ARG  31           HE       ARG  31   7.550   3.552  -3.371
  223   HH11  ARG  31          HH11      ARG  31  10.956   2.785  -3.042
  224   HH12  ARG  31          HH12      ARG  31  11.486   4.381  -3.491
  225   HH21  ARG  31          HH21      ARG  31   8.239   5.640  -3.949
  226   HH22  ARG  31          HH22      ARG  31   9.938   6.013  -4.000
  227    H    ARG  32           HN       ARG  32   7.751  -3.184  -1.535
  228    HA   ARG  32           HA       ARG  32   5.623  -4.211  -3.037
  229    HB2  ARG  32           HB2      ARG  32   7.765  -5.391  -2.605
  230    HB3  ARG  32           HB1      ARG  32   7.258  -5.652  -0.940
  231    HG2  ARG  32           HG2      ARG  32   5.318  -6.931  -1.770
  232    HG3  ARG  32           HG1      ARG  32   5.920  -6.726  -3.414
  233    HD2  ARG  32           HD2      ARG  32   8.025  -7.855  -2.707
  234    HD3  ARG  32           HD1      ARG  32   7.266  -8.186  -1.149
  235    HE   ARG  32           HE       ARG  32   5.898  -9.096  -3.573
  236   HH11  ARG  32          HH11      ARG  32   7.747  -9.875  -0.693
  237   HH12  ARG  32          HH12      ARG  32   7.411 -11.583  -0.795
  238   HH21  ARG  32          HH21      ARG  32   5.465 -11.325  -3.711
  239   HH22  ARG  32          HH22      ARG  32   6.125 -12.413  -2.520
  240    H    ALA  33           HN       ALA  33   6.020  -3.787   0.452
  241    HA   ALA  33           HA       ALA  33   3.747  -5.171   1.306
  242    HB1  ALA  33           HB1      ALA  33   3.908  -3.867   3.349
  243    HB2  ALA  33           HB2      ALA  33   4.978  -2.714   2.552
  244    HB3  ALA  33           HB3      ALA  33   5.510  -4.375   2.817
  245    H    ILE  34           HN       ILE  34   4.135  -1.781   0.335
  246    HA   ILE  34           HA       ILE  34   1.438  -1.055   0.843
  247    HB   ILE  34           HB       ILE  34   3.729   0.210  -0.584
  248   HG12  ILE  34          HG12      ILE  34   3.298   2.035   0.942
  249   HG13  ILE  34          HG11      ILE  34   1.774   1.314   1.443
  250   HG21  ILE  34          HG21      ILE  34   2.294   2.092  -1.314
  251   HG22  ILE  34          HG22      ILE  34   0.877   1.115  -0.921
  252   HG23  ILE  34          HG23      ILE  34   1.986   0.590  -2.188
  253   HD11  ILE  34          HD11      ILE  34   3.700   1.087   3.037
  254   HD12  ILE  34          HD12      ILE  34   4.424  -0.013   1.863
  255   HD13  ILE  34          HD13      ILE  34   2.878  -0.413   2.606
  256    H    GLN  35           HN       GLN  35   3.172  -2.240  -1.967
  257    HA   GLN  35           HA       GLN  35   1.042  -1.876  -3.823
  258    HB2  GLN  35           HB2      GLN  35   3.470  -3.674  -3.955
  259    HB3  GLN  35           HB1      GLN  35   2.389  -3.347  -5.303
  260    HG2  GLN  35           HG2      GLN  35   2.966  -0.981  -5.203
  261    HG3  GLN  35           HG1      GLN  35   4.030  -1.295  -3.835
  262   HE21  GLN  35          HE21      GLN  35   3.725  -3.458  -6.555
  263   HE22  GLN  35          HE22      GLN  35   5.293  -3.157  -7.221
  264    H    LEU  36           HN       LEU  36   2.087  -4.582  -1.812
  265    HA   LEU  36           HA       LEU  36   0.303  -6.504  -2.850
  266    HB2  LEU  36           HB2      LEU  36   1.936  -7.468  -1.573
  267    HB3  LEU  36           HB1      LEU  36   1.892  -6.210  -0.354
  268    HG   LEU  36           HG       LEU  36  -0.544  -7.820  -0.482
  269   HD11  LEU  36          HD11      LEU  36   2.081  -9.099   0.238
  270   HD12  LEU  36          HD12      LEU  36   0.955  -9.591  -1.030
  271   HD13  LEU  36          HD13      LEU  36   0.498  -9.753   0.665
  272   HD21  LEU  36          HD21      LEU  36  -0.303  -7.769   1.920
  273   HD22  LEU  36          HD22      LEU  36  -0.001  -6.155   1.267
  274   HD23  LEU  36          HD23      LEU  36   1.351  -7.172   1.772
  275    H    SER  37           HN       SER  37  -0.027  -4.109  -0.286
  276    HA   SER  37           HA       SER  37  -2.571  -4.861   0.623
  277    HB2  SER  37           HB2      SER  37  -1.324  -2.103   0.539
  278    HB3  SER  37           HB1      SER  37  -2.706  -2.575   1.530
  279    HG   SER  37           HG       SER  37   0.000  -3.357   1.751
  280    H    MET  38           HN       MET  38  -1.655  -3.637  -2.381
  281    HA   MET  38           HA       MET  38  -4.251  -2.437  -2.954
  282    HB2  MET  38           HB2      MET  38  -1.807  -2.785  -4.702
  283    HB3  MET  38           HB1      MET  38  -3.266  -1.915  -5.158
  284    HG2  MET  38           HG2      MET  38  -2.871  -0.261  -3.462
  285    HG3  MET  38           HG1      MET  38  -1.494  -1.173  -2.844
  286    HE1  MET  38           HE1      MET  38  -2.896   0.891  -5.909
  287    HE2  MET  38           HE2      MET  38  -2.464  -0.668  -6.608
  288    HE3  MET  38           HE3      MET  38  -1.541   0.772  -7.034
  289    H    GLN  39           HN       GLN  39  -2.981  -5.485  -2.850
  290    HA   GLN  39           HA       GLN  39  -4.557  -6.444  -5.142
  291    HB2  GLN  39           HB2      GLN  39  -2.551  -7.973  -3.486
  292    HB3  GLN  39           HB1      GLN  39  -3.291  -8.495  -4.992
  293    HG2  GLN  39           HG2      GLN  39  -2.137  -6.696  -6.177
  294    HG3  GLN  39           HG1      GLN  39  -1.385  -6.187  -4.665
  295   HE21  GLN  39          HE21      GLN  39  -1.933  -9.524  -5.548
  296   HE22  GLN  39          HE22      GLN  39  -0.263  -9.947  -5.748
  297    H    GLY  40           HN       GLY  40  -5.663  -8.602  -4.735
  298    HA2  GLY  40           HA2      GLY  40  -6.171  -9.827  -2.389
  299    HA3  GLY  40           HA1      GLY  40  -7.200  -8.412  -2.282
  300    H    SER  41           HN       SER  41  -9.016  -8.258  -3.579
  301    HA   SER  41           HA       SER  41 -10.075 -10.857  -4.250
  302    HB2  SER  41           HB2      SER  41 -12.217  -9.457  -4.520
  303    HB3  SER  41           HB1      SER  41 -11.513  -9.570  -2.907
  304    HG   SER  41           HG       SER  41 -11.997  -7.390  -4.356
  305    H    SER  42           HN       SER  42  -8.515 -10.895  -6.166
  306    HA   SER  42           HA       SER  42  -9.036  -9.419  -8.494
  307    HB2  SER  42           HB2      SER  42  -8.136 -12.306  -8.397
  308    HB3  SER  42           HB1      SER  42  -7.782 -11.112  -9.648
  309    HG   SER  42           HG       SER  42  -5.986 -11.223  -8.365
  310    H    ARG  43           HN       ARG  43 -10.460 -12.386  -7.231
  311    HA   ARG  43           HA       ARG  43 -12.886 -11.961  -8.706
  312    HB2  ARG  43           HB2      ARG  43 -11.374 -13.090 -10.380
  313    HB3  ARG  43           HB1      ARG  43 -11.289 -14.467  -9.293
  314    HG2  ARG  43           HG2      ARG  43 -13.861 -14.474  -9.461
  315    HG3  ARG  43           HG1      ARG  43 -13.608 -13.474 -10.893
  316    HD2  ARG  43           HD2      ARG  43 -12.323 -15.179 -11.947
  317    HD3  ARG  43           HD1      ARG  43 -12.258 -16.129 -10.462
  318    HE   ARG  43           HE       ARG  43 -14.690 -15.689 -12.072
  319   HH11  ARG  43          HH11      ARG  43 -12.779 -17.622  -9.872
  320   HH12  ARG  43          HH12      ARG  43 -13.918 -18.931  -9.820
  321   HH21  ARG  43          HH21      ARG  43 -16.200 -17.377 -12.009
  322   HH22  ARG  43          HH22      ARG  43 -15.892 -18.788 -11.035
  323    H    ASN  44           HN       ASN  44 -11.826 -12.343  -5.929
  324    HA   ASN  44           HA       ASN  44 -13.572 -14.525  -5.102
  325    HB2  ASN  44           HB2      ASN  44 -11.281 -15.474  -5.462
  326    HB3  ASN  44           HB1      ASN  44 -10.675 -14.370  -4.233
  327   HD21  ASN  44          HD21      ASN  44  -9.975 -16.082  -2.968
  328   HD22  ASN  44          HD22      ASN  44 -11.079 -17.056  -2.050
  329    H    LEU  45           HN       LEU  45 -14.594 -14.103  -3.237
  330    HA   LEU  45           HA       LEU  45 -15.318 -13.030  -1.381
  331    HB2  LEU  45           HB2      LEU  45 -12.455 -12.196  -1.325
  332    HB3  LEU  45           HB1      LEU  45 -13.592 -11.355  -0.292
  333    HG   LEU  45           HG       LEU  45 -12.513 -13.080   0.981
  334   HD11  LEU  45          HD11      LEU  45 -14.873 -12.675   1.456
  335   HD12  LEU  45          HD12      LEU  45 -14.433 -14.355   1.756
  336   HD13  LEU  45          HD13      LEU  45 -15.325 -13.923   0.297
  337   HD21  LEU  45          HD21      LEU  45 -11.825 -14.533  -0.855
  338   HD22  LEU  45          HD22      LEU  45 -13.501 -15.028  -1.096
  339   HD23  LEU  45          HD23      LEU  45 -12.665 -15.443   0.402
  340    H    GLU  46           HN       GLU  46 -16.819 -11.982  -2.666
  341    HA   GLU  46           HA       GLU  46 -18.039 -10.215  -3.347
  342    HB2  GLU  46           HB2      GLU  46 -16.018  -8.660  -1.728
  343    HB3  GLU  46           HB1      GLU  46 -17.482  -7.964  -2.411
  344    HG2  GLU  46           HG2      GLU  46 -18.811  -9.583  -1.096
  345    HG3  GLU  46           HG1      GLU  46 -17.320 -10.151  -0.350